data_6i9f_residue ############################ # Computer software used # ############################ save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 6i9f _Structure_validation_residue.Date_analyzed 2019-07-12 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.444 -0.725 0 N-CA-C 110.209 -0.293 . . . . 1.44 110.209 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.609 ' HB2' ' CE1' ' A' ' 56' ' ' TYR . 5.0 mt -51.49 127.91 32.42 Favored Pre-proline 0 N--CA 1.465 0.282 0 CA-C-N 115.74 -0.663 . . . . 1.33 111.747 -179.062 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_endo -66.32 134.51 36.46 Favored 'Trans proline' 0 N--CA 1.454 -0.819 0 C-N-CA 121.877 1.718 . . . . 0.81 110.216 173.04 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . 0.454 ' HA ' HD12 ' A' ' 8' ' ' LEU . 8.1 p-10 -55.71 -17.58 6.23 Favored 'General case' 0 N--CA 1.466 0.332 0 N-CA-C 112.728 0.64 . . . . 2.19 112.728 -173.025 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.492 ' HB3' ' HG3' ' A' ' 120' ' ' ARG . 60.1 mttp -55.49 -31.52 62.08 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 112.159 0.429 . . . . 3.1 112.159 175.65 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.472 ' CE1' ' HG2' ' A' ' 120' ' ' ARG . 47.4 m-85 -96.27 1.75 52.32 Favored 'General case' 0 C--O 1.226 -0.178 0 O-C-N 122.038 -0.414 . . . . 0.74 111.356 -176.584 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.454 HD12 ' HA ' ' A' ' 5' ' ' ASP . 88.5 mt -101.1 150.26 23.11 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.276 0.56 . . . . 1.12 111.568 -172.24 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 115.05 -173.83 14.98 Favored Glycine 0 N--CA 1.444 -0.818 0 CA-C-N 115.334 -0.848 . . . . 0.52 111.662 -177.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.441 HG21 ' HG2' ' A' ' 44' ' ' LYS . 30.8 m -105.8 122.48 46.17 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-O 120.793 0.33 . . . . 1.62 110.533 178.649 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.434 ' HA ' ' HA ' ' A' ' 142' ' ' LYS . 33.9 m-85 -113.45 129.78 56.47 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.125 -0.488 . . . . 0.57 110.538 -178.653 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.505 ' HD3' ' O ' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -100.85 134.97 43.03 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 119.578 -0.849 . . . . 2.65 110.804 172.375 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 61.4 tp -55.65 125.69 22.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.519 -0.764 . . . . 1.79 111.831 178.562 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -92.91 -55.59 3.3 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.013 -0.736 . . . . 2.08 109.013 174.741 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 18.4 ptt180 -158.09 -178.47 7.32 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.135 -0.484 . . . . 3.92 110.754 -176.467 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -156.43 167.76 29.43 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.015 -0.539 . . . . 1.19 109.795 176.61 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 17.9 tp10 -144.76 130.63 19.22 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.709 -0.223 . . . . 2.66 111.216 -174.367 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 40.1 t30 69.13 26.94 5.4 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-O 121.65 0.738 . . . . 0.97 110.779 176.512 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.498 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 8.9 t80 -72.56 -40.51 66.62 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.256 -0.884 . . . . 0.64 111.181 -173.614 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.442 ' OD2' ' HD2' ' A' ' 33' ' ' ARG . 34.0 t70 -58.55 -50.86 72.24 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 120.675 0.274 . . . . 2.04 111.104 178.484 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 41.6 mm-40 -55.37 -42.81 74.46 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 116.203 -0.453 . . . . 1.79 111.277 178.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.599 ' CE1' ' HE3' ' A' ' 129' ' ' MET . 77.6 t80 -59.12 -39.05 81.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.756 0.312 . . . . 1.12 110.831 176.855 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.498 ' HG ' ' O ' ' A' ' 19' ' ' PHE . 73.1 mt -68.15 -39.51 82.61 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.444 -0.344 . . . . 1.13 110.697 -178.094 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 54.0 mtpt -62.55 -49.6 74.63 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.045 -0.525 . . . . 2.43 109.724 177.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.96 -40.59 80.94 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.283 -0.872 . . . . 1.2 111.095 177.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 12.1 mmm180 -70.25 -12.15 61.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.96 -0.564 . . . . 1.71 111.807 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 94.47 22.07 25.22 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.478 -0.867 . . . . 0.62 112.954 177.174 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 75.2 m-85 -92.83 125.24 37.34 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.78 -0.452 . . . . 0.99 109.78 177.1 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -78.21 179.68 51.49 Favored Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.941 -0.647 . . . . 1.54 112.418 -179.587 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.425 ' O ' ' HG2' ' A' ' 34' ' ' GLN . 80.8 t90 -49.75 -49.66 47.32 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 123.019 0.527 . . . . 1.31 111.7 -178.33 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 1.3 mm -53.7 -53.15 27.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.708 0.29 . . . . 2.68 111.723 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.553 ' O ' HG13 ' A' ' 36' ' ' ILE . 54.8 mmm -60.69 -41.08 94.41 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.22 -0.445 . . . . 1.16 111.211 178.36 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.442 ' HD2' ' OD2' ' A' ' 20' ' ' ASP . 52.6 mtm180 -63.56 -29.48 70.73 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.498 -0.319 . . . . 2.48 110.752 179.532 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.518 ' O ' HD22 ' A' ' 38' ' ' LEU . 15.7 mm100 -71.35 -25.48 62.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.921 0.391 . . . . 2.4 110.844 176.269 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.423 HG11 ' HG3' ' A' ' 64' ' ' LYS . 56.5 t -84.89 -66.79 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 121.238 0.542 . . . . 1.33 110.642 175.072 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.553 HG13 ' O ' ' A' ' 32' ' ' MET . 28.4 mt -49.96 -43.4 20.15 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.494 0 CA-C-N 114.797 -1.092 . . . . 1.25 113.814 -174.049 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 54.2 mtmt -72.89 -22.57 60.73 Favored 'General case' 0 N--CA 1.47 0.538 0 N-CA-C 112.106 0.41 . . . . 1.62 112.106 -175.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.518 HD22 ' O ' ' A' ' 34' ' ' GLN . 3.8 mm? -100.84 3.76 42.24 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.1 0.476 . . . . 2.6 110.727 -175.549 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -85.55 109.48 18.55 Favored 'General case' 0 N--CA 1.445 -0.689 0 CA-C-N 115.741 -0.663 . . . . 1.15 110.856 -179.589 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.484 ' O ' ' HA ' ' A' ' 62' ' ' THR . . . -70.53 146.54 42.34 Favored Glycine 0 N--CA 1.447 -0.605 0 N-CA-C 110.225 -1.15 . . . . 0.84 110.225 173.882 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 45.6 t -131.65 133.64 61.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 117.403 0.602 . . . . 1.88 112.153 -170.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 8.1 m -120.69 122.7 41.02 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.603 -0.726 . . . . 1.13 110.025 175.415 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.404 ' HB2' ' HB2' ' A' ' 11' ' ' PHE . 44.3 mmtm -93.88 137.73 32.79 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.315 -0.402 . . . . 1.45 110.519 -179.551 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.591 ' O ' ' HA ' ' A' ' 58' ' ' MET . 99.3 mttt -133.82 111.08 10.22 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.883 0.373 . . . . 2.46 110.893 177.344 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.505 ' CE2' ' HG3' ' A' ' 58' ' ' MET . 41.9 m-85 -115.03 134.31 55.29 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.769 -0.651 . . . . 0.63 109.415 175.738 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.415 ' CG ' ' HB2' ' A' ' 57' ' ' ASP . 23.1 ptt180 -154.91 160.66 41.32 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 110.634 -0.136 . . . . 3.72 110.634 -179.153 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 46.6 m-80 -61.96 135.09 57.41 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 108.721 -0.844 . . . . 1.9 108.721 171.647 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.693 ' CB ' ' HD2' ' A' ' 55' ' ' ARG . . . -71.32 125.12 26.15 Favored 'General case' 0 CA--C 1.516 -0.341 0 CA-C-O 121.432 0.634 . . . . 1.18 112.039 -172.055 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -68.14 -6.72 24.64 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 114.684 -1.143 . . . . 1.94 112.275 179.425 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 63.6 p -44.17 -26.58 0.32 Allowed 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 115.714 -0.676 . . . . 2.82 111.878 173.177 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 97.3 3.17 58.82 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.916 -0.659 . . . . 1.96 112.138 177.08 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.486 ' HB2' ' HG2' ' A' ' 55' ' ' ARG . 53.4 mtmt -95.08 174.9 3.17 Favored Pre-proline 0 C--N 1.319 -0.744 0 N-CA-C 109.206 -0.665 . . . . 3.54 109.206 178.356 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -99.68 157.68 0.56 Allowed 'Trans proline' 0 N--CA 1.456 -0.713 0 C-N-CA 122.885 2.39 . . . . 2.1 112.501 171.519 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 29.8 m-20 79.28 -38.17 0.19 Allowed 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.938 0.895 . . . . 2.44 112.636 173.361 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.693 ' HD2' ' CB ' ' A' ' 48' ' ' ALA . 0.0 OUTLIER -56.81 155.79 7.37 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 113.822 1.045 . . . . 4.72 113.822 175.58 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.609 ' CE1' ' HB2' ' A' ' 3' ' ' LEU . 70.9 m-85 -142.63 154.32 44.26 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.755 -0.657 . . . . 1.39 110.718 175.424 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.565 ' OD1' ' HA ' ' A' ' 48' ' ' ALA . 41.8 m-20 -102.62 146.93 27.45 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.958 -0.756 . . . . 1.1 108.958 173.511 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.591 ' HA ' ' O ' ' A' ' 44' ' ' LYS . 1.9 tmt? -149.67 121.29 8.02 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.835 0.35 . . . . 1.22 110.57 177.194 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -119.55 151.21 39.0 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 121.502 0.668 . . . . 1.77 111.277 175.53 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -118.77 89.86 3.21 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 114.672 -1.149 . . . . 1.55 108.977 -177.64 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 60.5 tp -86.24 124.3 32.46 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 110.077 -0.342 . . . . 2.22 110.077 -178.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.484 ' HA ' ' O ' ' A' ' 40' ' ' GLY . 21.7 p -126.71 -166.29 1.57 Allowed 'General case' 0 N--CA 1.435 -1.19 0 N-CA-C 108.643 -0.873 . . . . 1.16 108.643 179.231 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 82.4 p -88.0 -37.94 15.92 Favored 'General case' 0 C--N 1.312 -1.053 0 CA-C-O 121.034 0.445 . . . . 1.14 111.255 -177.725 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.423 ' HG3' HG11 ' A' ' 35' ' ' VAL . 35.5 mmtp -106.54 -17.53 14.23 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.048 -0.523 . . . . 2.64 111.236 -175.546 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.46 ' HB2' ' HG1' ' A' ' 62' ' ' THR . 27.5 mmmt -125.1 -160.74 0.97 Allowed 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.374 -0.375 . . . . 2.34 110.967 -177.498 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 164.63 118.61 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 114.817 -1.083 . . . . 2.12 108.914 -169.035 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 76.4 p -135.64 151.65 50.44 Favored 'General case' 0 C--N 1.314 -0.954 0 CA-C-N 115.478 -0.783 . . . . 1.17 108.894 179.48 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 21.1 t-160 -146.49 94.09 2.39 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 120.936 0.398 . . . . 2.5 110.899 -172.112 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 21.0 m-70 -76.59 87.5 3.28 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.982 -0.553 . . . . 0.48 110.072 179.239 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 13.2 mtmt -69.97 114.23 7.94 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.365 -0.379 . . . . 2.79 111.957 176.62 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 32.5 t70 61.12 83.78 0.14 Allowed 'General case' 0 C--N 1.329 -0.316 0 O-C-N 123.903 0.752 . . . . 2.07 112.204 169.671 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' TRP . . . . . 0.44 ' HE1' ' CB ' ' A' ' 58' ' ' MET . 69.2 p-90 -128.69 159.85 34.34 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.396 -0.365 . . . . 0.51 110.567 176.055 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.57 ' O ' ' HB3' ' A' ' 76' ' ' GLU . . . -125.09 150.86 46.4 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.107 -0.497 . . . . 1.22 109.743 172.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.586 HD12 ' H ' ' A' ' 74' ' ' LEU . 0.0 OUTLIER -65.72 145.74 55.64 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 120.0 -0.68 . . . . 2.28 110.023 172.446 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 79.32 -1.61 75.35 Favored Glycine 0 N--CA 1.445 -0.702 0 CA-C-N 115.407 -0.815 . . . . 0.66 112.024 -171.473 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.57 ' HB3' ' O ' ' A' ' 73' ' ' ALA . 38.7 tt0 -101.1 148.16 25.39 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 121.272 0.558 . . . . 2.37 111.31 -176.251 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -122.71 119.73 31.55 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 114.947 -1.024 . . . . 1.4 109.316 -179.158 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 42.3 p90 -137.9 162.83 33.0 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.552 -0.294 . . . . 0.69 110.582 -175.359 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -94.76 141.31 28.77 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.492 -0.322 . . . . 2.38 110.149 176.039 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 46.0 t0 -172.72 172.82 4.06 Favored 'General case' 0 N--CA 1.466 0.334 0 N-CA-C 109.578 -0.527 . . . . 1.26 109.578 -177.082 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.507 ' HA ' ' O ' ' A' ' 86' ' ' THR . 38.0 tt0 -97.73 122.09 40.42 Favored 'General case' 0 CA--C 1.508 -0.64 0 CA-C-O 121.24 0.543 . . . . 2.26 109.883 179.662 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.475 ' HB3' ' OD1' ' A' ' 84' ' ' ASP . . . -92.88 -178.66 4.89 Favored 'General case' 0 C--N 1.311 -1.08 0 CA-C-N 114.946 -1.024 . . . . 1.61 111.793 178.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -57.35 -25.2 59.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.067 0.461 . . . . 1.98 110.635 -179.723 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.475 ' OD1' ' HB3' ' A' ' 82' ' ' ALA . 3.8 p30 -79.63 8.05 7.25 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.665 -0.698 . . . . 1.55 111.496 -178.548 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 50.2 m 75.71 -9.34 1.44 Allowed 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 114.928 1.455 . . . . 1.68 114.928 168.585 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.539 ' OG1' ' HD2' ' A' ' 88' ' ' HIS . 67.9 p -95.45 163.95 13.02 Favored 'General case' 0 C--O 1.241 0.634 0 CA-C-N 119.568 1.077 . . . . 1.5 111.332 177.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -103.9 93.52 4.92 Favored 'General case' 0 CA--C 1.511 -0.534 0 N-CA-C 107.502 -1.295 . . . . 1.88 107.502 -175.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . 0.595 ' CE1' ' HB3' ' A' ' 104' ' ' HIS . 11.2 p80 -130.77 178.78 6.39 Favored 'General case' 0 C--N 1.315 -0.93 0 C-N-CA 120.243 -0.583 . . . . 1.51 111.887 -167.197 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 26.7 ttpp -73.24 132.95 43.77 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 114.993 -1.003 . . . . 1.95 109.712 -178.562 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 62.1 mt -135.89 144.3 33.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.909 0 CA-C-N 116.164 -0.471 . . . . 1.19 109.996 -176.542 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 22.5 m -137.54 134.04 35.2 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.267 0.556 . . . . 1.12 111.505 -178.737 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.52 ' HA ' ' O ' ' A' ' 101' ' ' THR . 27.1 m-85 -110.73 150.21 29.39 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.272 -0.876 . . . . 0.81 108.672 175.389 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -159.34 133.36 7.53 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 120.967 0.413 . . . . 1.69 111.753 179.015 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -83.92 101.1 11.45 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 108.405 -0.961 . . . . 1.81 108.405 172.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.504 ' HG3' ' OD1' ' A' ' 96' ' ' ASP . 16.4 pttp -86.91 -40.63 14.66 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.324 -0.621 . . . . 3.48 109.324 -171.853 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . 0.504 ' OD1' ' HG3' ' A' ' 95' ' ' LYS . 9.9 m-20 -131.27 159.74 70.27 Favored Pre-proline 0 C--N 1.324 -0.502 0 N-CA-C 107.34 -1.355 . . . . 1.79 107.34 172.555 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 11.0 Cg_exo -71.57 14.41 0.4 Allowed 'Trans proline' 0 C--O 1.233 0.258 0 C-N-CA 122.972 2.448 . . . . 1.07 112.693 -173.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . 0.431 ' H ' ' C ' ' A' ' 96' ' ' ASP . 9.3 p30 -145.05 16.12 1.54 Allowed 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.853 -0.612 . . . . 2.63 110.373 176.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.517 ' HA ' ' O ' ' A' ' 118' ' ' TYR . 32.5 m -152.06 115.08 4.67 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-O 121.38 0.61 . . . . 1.26 112.328 -179.653 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.537 ' HB3' ' HB2' ' A' ' 118' ' ' TYR . 20.3 tp -98.25 149.0 23.04 Favored 'General case' 0 C--O 1.22 -0.45 0 CA-C-N 114.925 -1.034 . . . . 1.78 109.47 175.044 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' THR . . . . . 0.52 ' O ' ' HA ' ' A' ' 92' ' ' PHE . 19.5 p -117.17 137.19 52.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 121.627 -0.67 . . . . 1.11 112.268 -179.4 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.516 ' O ' ' HA ' ' A' ' 115' ' ' THR . 2.5 tp10 -116.28 113.5 23.08 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.42 -0.809 . . . . 1.31 109.353 173.781 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 57.2 m -118.87 120.26 36.8 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.12 0.486 . . . . 1.12 111.037 -177.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' HIS . . . . . 0.595 ' HB3' ' CE1' ' A' ' 88' ' ' HIS . 24.9 m170 -99.11 120.09 38.91 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.929 -0.578 . . . . 2.22 110.42 -179.68 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.552 ' O ' ' HB2' ' A' ' 88' ' ' HIS . 11.1 mt -117.11 111.58 35.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 121.263 0.554 . . . . 1.36 110.695 175.031 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . 0.515 ' HA ' ' CB ' ' A' ' 88' ' ' HIS . 96.7 mttt -69.21 137.83 53.53 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-N 115.2 -0.909 . . . . 2.12 112.389 -176.858 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . 0.526 ' CG2' ' HA ' ' A' ' 88' ' ' HIS . 2.3 t -62.46 -37.3 78.43 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.502 0 CA-C-N 114.371 -1.286 . . . . 2.03 110.396 177.259 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 42.0 m-20 -78.14 -50.15 12.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.482 -0.781 . . . . 2.5 110.371 -176.003 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . 0.413 ' O ' ' HB2' ' A' ' 106' ' ' LYS . 14.1 t70 -134.02 95.38 17.08 Favored Pre-proline 0 C--N 1.326 -0.426 0 CA-C-O 121.308 0.575 . . . . 2.39 110.008 179.486 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 68.6 Cg_endo -73.72 1.84 6.53 Favored 'Trans proline' 0 C--N 1.33 -0.399 0 C-N-CA 123.379 2.719 . . . . 0.91 113.478 -177.741 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 33.9 p -97.07 -18.79 19.14 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 120.711 -0.396 . . . . 1.91 110.994 179.419 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -90.94 49.99 1.73 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.733 0.778 . . . . 1.59 109.679 176.093 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 13.5 m -67.74 171.94 0.81 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.532 0 CA-C-N 114.926 -1.034 . . . . 2.17 111.968 178.639 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -155.75 133.09 10.89 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-N 115.258 -0.883 . . . . 2.78 109.663 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' THR . . . . . 0.516 ' HA ' ' O ' ' A' ' 102' ' ' GLU . 85.2 m -130.77 128.49 40.87 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.347 0.594 . . . . 1.18 112.211 -174.153 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' TYR . . . . . 0.511 ' CE1' ' HE2' ' A' ' 129' ' ' MET . 4.8 m-85 -107.03 157.41 17.84 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.383 -1.34 . . . . 1.49 107.383 172.346 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . 0.482 ' O ' ' HA ' ' A' ' 127' ' ' MET . 46.5 mt-10 -131.61 122.85 26.72 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.041 -0.726 . . . . 1.53 109.041 177.814 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . 0.537 ' HB2' ' HB3' ' A' ' 100' ' ' LEU . 90.9 m-85 -92.19 94.92 9.44 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.277 -0.419 . . . . 1.0 110.079 -177.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 50.3 ttt180 -101.86 153.03 20.21 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.994 -0.548 . . . . 3.96 109.923 177.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . 0.492 ' HG3' ' HB3' ' A' ' 6' ' ' LYS . 6.1 mmm180 -106.07 135.74 46.99 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.729 -0.471 . . . . 2.25 109.729 172.728 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -148.65 110.96 4.67 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.662 -0.496 . . . . 1.08 109.662 175.505 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 71.3 -133.22 21.74 Favored Glycine 0 N--CA 1.445 -0.706 0 N-CA-C 110.85 -0.9 . . . . 1.04 110.85 -174.569 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -103.78 28.78 6.31 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.266 0.555 . . . . 2.31 109.84 175.637 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 86.9 m-85 -126.33 143.56 51.12 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 115.662 -0.699 . . . . 1.17 110.62 -178.433 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 40.4 tp -84.75 121.58 27.88 Favored 'General case' 0 N--CA 1.443 -0.796 0 N-CA-C 107.802 -1.185 . . . . 1.66 107.802 168.043 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 58.8 t -114.81 114.78 47.53 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.143 0 CA-C-O 121.244 0.545 . . . . 1.1 109.547 -174.686 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' MET . . . . . 0.482 ' HA ' ' O ' ' A' ' 117' ' ' GLU . 31.1 ttm -91.56 136.28 33.25 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-N 115.512 -0.767 . . . . 1.4 110.369 -178.564 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 15.9 tppt? -117.56 121.42 40.91 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 108.834 -0.802 . . . . 2.68 108.834 176.256 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' MET . . . . . 0.599 ' HE3' ' CE1' ' A' ' 22' ' ' TYR . 23.5 mtp -122.68 122.82 39.69 Favored 'General case' 0 C--N 1.316 -0.88 0 N-CA-C 108.155 -1.054 . . . . 1.66 108.155 178.434 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' SER . . . . . 0.565 ' HA ' ' O ' ' A' ' 134' ' ' VAL . 13.5 p -129.24 129.67 45.27 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.408 0.623 . . . . 1.5 112.01 -175.839 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 131' ' ' TRP . . . . . 0.496 ' CD1' ' HG2' ' A' ' 132' ' ' LYS . 34.7 t-105 -148.76 131.48 15.97 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 114.976 -1.011 . . . . 0.88 109.368 177.661 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . 0.496 ' HG2' ' CD1' ' A' ' 131' ' ' TRP . 75.5 mmtt 56.43 32.59 20.94 Favored 'General case' 0 C--N 1.327 -0.374 0 O-C-N 123.444 0.465 . . . . 2.42 111.146 -177.328 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 85.61 -13.2 56.88 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 121.095 -0.574 . . . . 0.53 112.758 -179.027 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . 0.565 ' O ' ' HA ' ' A' ' 130' ' ' SER . 13.1 t -80.41 109.23 14.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.541 0.17 . . . . 1.13 110.659 -177.742 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -98.13 133.29 42.78 Favored 'General case' 0 N--CA 1.444 -0.759 0 CA-C-O 121.088 0.47 . . . . 1.64 110.696 174.028 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 136' ' ' THR . . . . . 0.533 ' CG2' ' HB2' ' A' ' 129' ' ' MET . 5.2 t -121.45 134.99 55.09 Favored 'General case' 0 C--N 1.312 -1.047 0 CA-C-N 115.478 -0.783 . . . . 1.1 109.31 173.783 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 137' ' ' SER . . . . . 0.477 ' HA ' ' O ' ' A' ' 127' ' ' MET . 4.0 m -113.18 113.34 25.21 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.133 -0.485 . . . . 1.06 110.179 -177.845 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 38.1 mtp180 -98.97 122.76 42.66 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.464 -0.569 . . . . 2.41 109.464 178.038 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 92.6 m-85 -97.39 111.83 23.92 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.983 -0.553 . . . . 1.03 110.763 -174.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 81.7 m-85 -107.61 132.48 53.25 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.582 -0.735 . . . . 0.92 110.351 179.645 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 15.2 ptpt -104.87 168.82 8.81 Favored 'General case' 0 C--N 1.313 -0.983 0 N-CA-C 107.472 -1.307 . . . . 2.41 107.472 172.66 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 142' ' ' LYS . . . . . 0.456 ' O ' ' HG3' ' A' ' 12' ' ' LYS . 14.6 mmmm -59.62 178.78 0.14 Allowed 'General case' 0 C--N 1.317 -0.847 0 CA-C-O 121.884 0.85 . . . . 2.59 111.674 171.823 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . 0.535 ' HA ' HE21 ' A' ' 143' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.031 0 CA-C-N 115.377 -0.828 . . . . 1.74 109.551 159.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.445 -0.716 0 N-CA-C 110.019 -0.363 . . . . 1.44 110.019 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.543 ' HB2' ' CZ ' ' A' ' 56' ' ' TYR . 6.2 mt -59.21 126.06 80.61 Favored Pre-proline 0 C--N 1.327 -0.39 0 CA-C-N 115.898 -0.592 . . . . 1.33 111.872 -177.311 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -58.66 126.94 22.74 Favored 'Trans proline' 0 N--CA 1.456 -0.678 0 C-N-CA 122.468 2.112 . . . . 0.81 110.678 171.004 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . 0.431 ' HA ' HD11 ' A' ' 8' ' ' LEU . 10.8 t70 -48.02 -29.41 3.47 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 115.454 -0.793 . . . . 2.19 111.991 178.57 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.516 ' O ' ' HD3' ' A' ' 120' ' ' ARG . 60.1 mttp -64.65 -17.91 64.47 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 113.018 0.747 . . . . 3.1 113.018 179.004 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -98.51 -0.8 42.63 Favored 'General case' 0 C--N 1.327 -0.397 0 O-C-N 121.51 -0.744 . . . . 0.74 110.22 177.701 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.431 HD11 ' HA ' ' A' ' 5' ' ' ASP . 88.1 mt -102.03 142.92 32.56 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.13 0.491 . . . . 1.12 111.603 -172.662 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 133.96 176.54 14.43 Favored Glycine 0 N--CA 1.446 -0.64 0 CA-C-N 115.428 -0.806 . . . . 0.52 112.051 -178.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.438 HG22 ' HG2' ' A' ' 44' ' ' LYS . 31.0 m -108.03 125.26 51.34 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.685 -0.487 . . . . 1.62 109.685 176.27 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 69.1 m-85 -116.22 132.71 56.59 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 112.797 0.665 . . . . 0.57 112.797 -171.337 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.504 ' HG3' ' HA ' ' A' ' 143' ' ' GLN . 48.2 mttp -70.54 -171.1 0.46 Allowed 'General case' 0 C--N 1.345 0.407 0 CA-C-O 121.222 0.534 . . . . 2.65 111.001 163.362 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.421 HD12 ' HB ' ' A' ' 41' ' ' VAL . 2.4 tt -137.83 111.81 8.4 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.574 -0.528 . . . . 1.79 109.574 -177.543 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -82.01 -51.99 7.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.521 0.201 . . . . 2.08 111.266 -179.418 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.403 HH11 ' HD2' ' A' ' 15' ' ' ARG . 17.6 ptt180 -161.16 179.6 8.25 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.915 0.388 . . . . 3.92 111.341 -174.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.404 ' HA ' ' HA ' ' A' ' 138' ' ' ARG . 3.5 p30 -146.53 164.33 32.92 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.791 -0.64 . . . . 1.19 109.964 178.685 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -142.53 130.11 21.37 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.68 -0.236 . . . . 2.66 110.943 -177.635 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.3 t30 62.63 21.84 12.95 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 115.762 -0.654 . . . . 0.97 111.446 173.482 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 32.6 t80 -76.99 -40.63 46.06 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.669 -0.696 . . . . 0.64 110.575 -174.68 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -59.48 -44.59 93.0 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.123 -0.49 . . . . 2.04 110.171 176.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.492 ' HA ' ' HE2' ' A' ' 24' ' ' LYS . 51.0 mm-40 -53.22 -43.87 67.6 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 115.776 -0.647 . . . . 1.79 110.638 175.056 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.409 ' CE1' ' HE1' ' A' ' 129' ' ' MET . 89.8 t80 -60.66 -36.88 79.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.917 -0.583 . . . . 1.12 111.312 178.677 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 61.7 mt -65.47 -39.0 91.45 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.811 0.339 . . . . 1.13 110.761 -177.266 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.492 ' HE2' ' HA ' ' A' ' 21' ' ' GLU . 53.8 mtmt -65.46 -43.05 91.54 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.196 0.522 . . . . 2.43 109.954 177.114 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.22 -42.01 85.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.384 -0.825 . . . . 1.2 111.448 178.014 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 16.1 mmm180 -75.41 -6.75 51.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.12 -0.491 . . . . 1.71 111.719 -179.315 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 87.25 20.95 51.04 Favored Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 120.636 -0.793 . . . . 0.62 112.703 175.479 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 58.7 m-85 -77.37 127.32 32.37 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.876 -0.416 . . . . 0.99 109.876 176.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -73.8 177.06 45.15 Favored Glycine 0 N--CA 1.444 -0.821 0 C-N-CA 120.858 -0.686 . . . . 1.54 111.894 -179.588 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 73.8 t90 -50.65 -43.6 57.27 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.206 0.447 . . . . 1.31 112.206 -175.628 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.512 ' H ' HD12 ' A' ' 31' ' ' ILE . 3.0 mp -57.02 -57.4 10.02 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.798 0 CA-C-O 121.479 0.656 . . . . 2.68 110.049 -175.346 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.416 ' O ' HG13 ' A' ' 36' ' ' ILE . 70.7 mmm -67.3 -27.8 67.47 Favored 'General case' 0 N--CA 1.429 -1.491 0 CA-C-N 114.867 -1.06 . . . . 1.16 110.388 -176.568 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.571 ' O ' ' HD2' ' A' ' 37' ' ' LYS . 33.8 ttp180 -78.4 6.7 7.85 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.303 -0.862 . . . . 2.48 110.46 -179.03 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 25.0 mm-40 -115.57 -21.85 9.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.841 -0.618 . . . . 2.4 110.192 171.69 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 98.2 t -90.24 -60.91 2.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 121.094 0.473 . . . . 1.33 111.382 -178.118 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.416 HG13 ' O ' ' A' ' 32' ' ' MET . 44.0 mt -47.83 -40.62 8.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 C-N-CA 124.018 0.927 . . . . 1.25 113.387 -178.347 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.571 ' HD2' ' O ' ' A' ' 33' ' ' ARG . 0.1 OUTLIER -97.83 23.77 7.6 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.885 0.374 . . . . 1.62 111.652 -178.821 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.47 ' C ' HD12 ' A' ' 38' ' ' LEU . 0.6 OUTLIER -122.68 -44.88 2.2 Favored 'General case' 0 N--CA 1.445 -0.702 0 N-CA-C 108.835 -0.802 . . . . 2.6 108.835 177.156 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -52.13 128.68 25.5 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 115.803 -0.635 . . . . 1.15 111.815 177.048 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.535 ' O ' ' HA ' ' A' ' 62' ' ' THR . . . -75.56 149.67 38.83 Favored Glycine 0 N--CA 1.444 -0.779 0 N-CA-C 110.873 -0.891 . . . . 0.84 110.873 173.646 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.421 ' HB ' HD12 ' A' ' 13' ' ' LEU . 12.2 t -125.72 131.74 71.62 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-O 121.013 0.435 . . . . 1.88 111.251 -174.125 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 49.1 m -111.46 111.33 22.28 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.593 -0.73 . . . . 1.13 110.026 173.145 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 38.0 mmtm -85.5 134.88 34.02 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.592 -0.276 . . . . 1.45 110.258 178.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.454 ' HB2' ' HB3' ' A' ' 59' ' ' GLU . 98.5 mttt -130.4 118.55 21.37 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.627 0.251 . . . . 2.46 110.583 178.225 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.425 ' HB3' HD22 ' A' ' 8' ' ' LEU . 86.9 m-85 -122.94 126.54 47.43 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 109.347 -0.612 . . . . 0.63 109.347 173.623 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.443 ' HG3' ' HB3' ' A' ' 57' ' ' ASP . 2.8 ptm180 -156.13 166.14 34.35 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 120.895 0.379 . . . . 3.72 110.96 -175.208 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . 0.409 ' HA ' ' CD2' ' A' ' 56' ' ' TYR . 19.0 m120 -62.64 154.7 28.34 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 108.987 -0.745 . . . . 1.9 108.987 172.354 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.418 ' HB3' ' OD1' ' A' ' 71' ' ' ASP . . . -58.01 141.36 50.02 Favored 'General case' 0 CA--C 1.518 -0.28 0 CA-C-O 121.372 0.606 . . . . 1.18 110.905 -177.041 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.4 -35.62 81.5 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 114.92 -1.036 . . . . 1.94 111.7 -171.524 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 42.1 p -75.56 9.23 2.33 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.138 0.421 . . . . 2.82 112.138 176.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 63.33 29.87 75.82 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 121.004 -0.617 . . . . 1.96 112.531 -179.063 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 6.1 tmtt? -84.96 114.39 55.48 Favored Pre-proline 0 C--N 1.322 -0.594 0 N-CA-C 110.026 -0.361 . . . . 3.54 110.026 -177.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.461 ' O ' ' HB2' ' A' ' 54' ' ' ASP . 88.3 Cg_exo -51.69 140.8 45.64 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 123.122 2.548 . . . . 2.1 113.228 179.284 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.461 ' HB2' ' O ' ' A' ' 53' ' ' PRO . 29.9 m-20 82.3 -48.92 0.2 Allowed 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 114.769 -1.105 . . . . 2.44 110.436 177.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 55.3 mtp180 -66.71 145.44 55.54 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.313 0.578 . . . . 4.72 111.653 175.318 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.543 ' CZ ' ' HB2' ' A' ' 3' ' ' LEU . 76.5 m-85 -124.74 -178.86 4.29 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.6 -0.727 . . . . 1.39 110.252 178.574 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.63 ' OD2' ' HA ' ' A' ' 70' ' ' LYS . 14.1 t70 -136.87 136.87 39.08 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 108.511 -0.922 . . . . 1.1 108.511 177.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 1.5 tmt? -140.12 140.4 36.01 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 110.024 -0.361 . . . . 1.22 110.024 -174.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.483 ' HG3' ' O ' ' A' ' 67' ' ' THR . 41.2 tt0 -142.08 147.37 36.67 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.092 0.472 . . . . 1.77 111.79 -173.335 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.603 ' HB2' ' OG1' ' A' ' 67' ' ' THR . 48.3 m-80 -127.64 106.8 9.4 Favored 'General case' 0 CA--C 1.516 -0.342 0 CA-C-N 115.659 -0.7 . . . . 1.55 109.328 175.862 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 65.4 tp -103.76 127.5 51.23 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 109.955 -0.387 . . . . 2.22 109.955 177.193 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.535 ' HA ' ' O ' ' A' ' 40' ' ' GLY . 71.1 p -128.32 -177.85 4.32 Favored 'General case' 0 N--CA 1.443 -0.776 0 N-CA-C 109.626 -0.509 . . . . 1.16 109.626 -178.88 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 30.4 p -80.83 -30.54 35.74 Favored 'General case' 0 C--N 1.313 -1.0 0 CA-C-O 121.394 0.616 . . . . 1.14 110.461 179.204 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 53.3 tptt -101.73 -22.55 14.38 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.462 -0.79 . . . . 2.64 111.38 -174.414 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.456 ' HD2' ' HA ' ' A' ' 65' ' ' LYS . 8.2 mmmt -139.5 -155.64 0.61 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.099 0.476 . . . . 2.34 112.267 -174.845 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 171.96 130.53 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 114.787 -1.097 . . . . 2.12 108.763 -166.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.603 ' OG1' ' HB2' ' A' ' 60' ' ' ASN . 59.5 p -147.4 143.62 28.09 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 109.366 -0.605 . . . . 1.17 109.366 178.158 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 9.4 t-160 -143.67 99.87 3.49 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.288 0.566 . . . . 2.5 110.203 -177.756 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 21.4 m-70 -78.53 83.47 4.72 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 108.696 -0.853 . . . . 0.48 108.696 176.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.63 ' HA ' ' OD2' ' A' ' 57' ' ' ASP . 7.7 ptpp? -75.07 117.78 17.29 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.752 -0.658 . . . . 2.79 112.193 -174.763 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.418 ' OD1' ' HB3' ' A' ' 48' ' ' ALA . 9.9 m-20 52.87 81.52 0.08 Allowed 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 115.263 -0.88 . . . . 2.07 111.95 174.337 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 66.0 p-90 -118.31 146.06 44.62 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.944 -0.571 . . . . 0.51 110.117 177.434 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -96.16 143.71 27.04 Favored 'General case' 0 C--N 1.321 -0.66 0 O-C-N 122.286 -0.259 . . . . 1.22 110.816 178.675 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -50.31 114.11 1.04 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.379 -0.373 . . . . 2.28 110.81 171.202 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 91.79 21.75 32.9 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 121.207 -0.52 . . . . 0.66 112.434 -178.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -110.32 125.22 52.93 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.298 0.57 . . . . 2.37 111.217 -176.007 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -90.31 115.68 27.7 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.226 -0.897 . . . . 1.4 109.077 171.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 41.6 p90 -129.02 150.05 50.59 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.261 -0.427 . . . . 0.69 110.659 -175.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -85.34 142.85 29.03 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.577 -0.527 . . . . 2.38 109.577 176.274 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 38.6 t0 -164.97 171.22 14.27 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 109.311 -0.626 . . . . 1.26 109.311 -174.575 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.513 ' HA ' ' O ' ' A' ' 86' ' ' THR . 35.3 tt0 -99.09 111.67 24.01 Favored 'General case' 0 CA--C 1.504 -0.802 0 N-CA-C 108.495 -0.928 . . . . 2.26 108.495 175.024 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.626 ' HB1' ' OD1' ' A' ' 84' ' ' ASP . . . -90.62 -178.68 5.36 Favored 'General case' 0 C--N 1.308 -1.204 0 CA-C-N 115.249 -0.887 . . . . 1.61 111.839 -176.476 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.464 ' H ' HD21 ' A' ' 83' ' ' LEU . 2.9 mm? -56.16 -30.28 61.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.982 0.42 . . . . 1.98 110.478 -177.879 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.626 ' OD1' ' HB1' ' A' ' 82' ' ' ALA . 17.7 p-10 -77.71 11.38 2.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.889 -0.596 . . . . 1.55 111.134 -178.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 15.7 m 65.54 15.35 9.99 Favored 'General case' 0 N--CA 1.465 0.302 0 N-CA-C 113.8 1.037 . . . . 1.68 113.8 166.57 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.513 ' O ' ' HA ' ' A' ' 81' ' ' GLU . 12.4 p -113.48 166.31 11.62 Favored 'General case' 0 C--N 1.319 -0.756 0 C-N-CA 120.737 -0.385 . . . . 1.5 110.475 175.853 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 5.8 mm-40 -102.34 99.11 9.15 Favored 'General case' 0 CA--C 1.511 -0.553 0 N-CA-C 107.789 -1.189 . . . . 1.88 107.789 -178.367 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . 0.495 ' CB ' ' HA ' ' A' ' 106' ' ' LYS . 23.9 p80 -138.46 172.18 13.27 Favored 'General case' 0 C--N 1.314 -0.957 0 C-N-CA 120.43 -0.508 . . . . 1.51 110.876 -173.108 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 43.6 mtmt -73.76 149.37 41.8 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.935 -0.575 . . . . 1.95 110.324 -178.521 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.439 HD11 ' HB2' ' A' ' 82' ' ' ALA . 72.0 mt -147.0 128.67 6.52 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.876 0 CA-C-N 115.473 -0.785 . . . . 1.19 109.785 179.578 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 24.7 m -105.93 130.32 53.9 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-O 120.877 0.37 . . . . 1.12 110.832 179.104 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.473 ' CE1' ' HG3' ' A' ' 102' ' ' GLU . 1.8 m-85 -112.86 124.52 52.78 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 108.79 -0.818 . . . . 0.81 108.79 174.08 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -163.33 164.35 24.85 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 120.846 0.355 . . . . 1.69 110.089 -177.05 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -100.85 111.1 23.24 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 109.519 -0.548 . . . . 1.81 109.519 179.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 46.3 tptt -77.56 -41.06 40.3 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 108.557 -0.905 . . . . 3.48 108.557 -175.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 -134.65 162.51 57.28 Favored Pre-proline 0 C--N 1.322 -0.597 0 CA-C-N 114.483 -1.235 . . . . 1.79 107.793 174.014 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_exo -68.68 5.55 1.27 Allowed 'Trans proline' 0 CA--C 1.529 0.267 0 C-N-CA 123.046 2.497 . . . . 1.07 112.504 -178.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 19.0 m120 -136.34 13.52 3.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.125 -0.488 . . . . 2.63 110.532 175.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 28.2 m -145.18 112.65 6.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.047 0.451 . . . . 1.26 111.82 -176.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.554 HD23 ' N ' ' A' ' 101' ' ' THR . 2.8 tt -91.85 134.75 34.48 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.873 -1.158 . . . . 1.78 107.873 175.496 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' THR . . . . . 0.554 ' N ' HD23 ' A' ' 100' ' ' LEU . 5.7 p -117.03 131.99 56.81 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 118.798 0.726 . . . . 1.11 112.03 -179.598 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.487 ' CD ' ' HE2' ' A' ' 104' ' ' HIS . 32.9 tt0 -112.67 105.46 13.63 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.321 -0.854 . . . . 1.31 109.121 174.523 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 27.0 m -101.58 115.69 31.09 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 120.786 0.327 . . . . 1.12 110.785 -177.394 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' HIS . . . . . 0.487 ' HE2' ' CD ' ' A' ' 102' ' ' GLU . 30.8 m170 -89.88 114.37 26.13 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.345 -0.389 . . . . 2.22 110.125 177.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.471 ' O ' ' HB2' ' A' ' 88' ' ' HIS . 11.1 mt -108.28 104.22 16.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 121.256 0.55 . . . . 1.36 110.537 175.235 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . 0.495 ' HA ' ' CB ' ' A' ' 88' ' ' HIS . 56.8 mttm -59.17 119.13 6.76 Favored 'General case' 0 C--N 1.313 -1.014 0 CA-C-N 115.178 -0.919 . . . . 2.12 110.682 176.527 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 12.2 m -63.29 -22.92 31.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.274 -0.875 . . . . 2.03 110.878 178.548 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -80.37 -45.32 17.94 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.433 -0.803 . . . . 2.5 110.295 178.305 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -140.33 90.84 10.08 Favored Pre-proline 0 C--N 1.325 -0.499 0 CA-C-O 121.426 0.632 . . . . 2.39 109.765 179.378 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -72.78 -0.45 8.95 Favored 'Trans proline' 0 N--CA 1.464 -0.249 0 C-N-CA 123.359 2.706 . . . . 0.91 113.448 -175.492 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 36.4 p -93.93 -12.64 28.36 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.145 0.498 . . . . 1.91 110.863 178.221 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -100.79 54.71 0.86 Allowed 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.493 0.663 . . . . 1.59 109.914 176.116 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 8.3 m -71.64 161.03 4.96 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.607 0 CA-C-N 115.346 -0.843 . . . . 2.17 112.274 178.677 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -144.72 131.16 19.77 Favored 'General case' 0 C--N 1.313 -1.013 0 CA-C-N 114.669 -1.15 . . . . 2.78 108.95 178.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' THR . . . . . 0.56 ' O ' ' HG3' ' A' ' 129' ' ' MET . 39.7 m -123.72 118.62 27.64 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.328 0.585 . . . . 1.18 111.532 -171.72 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' TYR . . . . . 0.42 ' CD1' ' N ' ' A' ' 116' ' ' TYR . 2.1 m-85 -99.49 148.34 24.35 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 107.169 -1.419 . . . . 1.49 107.169 177.86 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . 0.465 ' HG2' HG23 ' A' ' 101' ' ' THR . 23.7 mt-10 -137.26 125.04 22.46 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 119.053 0.842 . . . . 1.53 108.809 -172.154 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . 0.464 ' HB2' ' HB3' ' A' ' 100' ' ' LEU . 53.0 m-85 -103.64 119.99 40.01 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.045 0.45 . . . . 1.0 111.267 -174.768 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 82.4 mtm180 -123.89 153.83 40.58 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.441 -0.8 . . . . 3.96 109.303 176.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . 0.516 ' HD3' ' O ' ' A' ' 6' ' ' LYS . 9.0 tpt180 -111.35 129.93 55.84 Favored 'General case' 0 C--N 1.32 -0.677 0 C-N-CA 120.774 -0.371 . . . . 2.25 110.487 178.633 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -124.76 90.6 3.28 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.504 -0.554 . . . . 1.08 109.504 175.584 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 66.63 -106.41 1.62 Allowed Glycine 0 N--CA 1.445 -0.706 0 CA-C-N 115.559 -0.746 . . . . 1.04 111.769 -177.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . 0.509 ' HA ' HH21 ' A' ' 120' ' ' ARG . 8.4 p-10 -103.0 -1.59 29.02 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 120.677 0.275 . . . . 2.31 111.08 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -102.15 134.81 44.82 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.584 -0.28 . . . . 1.17 111.248 -177.361 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . 0.433 ' HB3' ' HB2' ' A' ' 140' ' ' TYR . 3.4 tm? -85.59 112.05 20.61 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 107.051 -1.463 . . . . 1.66 107.051 168.365 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 58.8 t -98.25 103.31 14.54 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 CA-C-O 121.459 0.647 . . . . 1.1 110.092 -171.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' MET . . . . . 0.583 ' O ' ' HA ' ' A' ' 137' ' ' SER . 9.5 tpt -70.38 129.33 39.0 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-N 114.619 -1.173 . . . . 1.4 109.603 179.44 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 23.9 tptm -126.93 136.19 51.95 Favored 'General case' 0 C--N 1.315 -0.916 0 N-CA-C 109.193 -0.669 . . . . 2.68 109.193 178.462 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' MET . . . . . 0.56 ' HG3' ' O ' ' A' ' 115' ' ' THR . 20.8 ttp -160.74 140.73 11.1 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 109.107 -0.701 . . . . 1.66 109.107 178.309 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 20.9 t -142.95 147.79 35.8 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.442 0.639 . . . . 1.5 111.535 -176.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 131' ' ' TRP . . . . . . . . . . . . . 61.7 t-105 -154.72 133.98 12.5 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 114.843 -1.072 . . . . 0.88 109.488 176.651 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 11.8 ttmm 56.58 37.49 28.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 123.645 0.591 . . . . 2.42 111.536 178.686 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 82.34 -17.91 16.6 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 121.096 -0.574 . . . . 0.53 112.655 -179.299 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 25.5 t -79.5 112.64 17.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 N-CA-C 110.145 -0.317 . . . . 1.13 110.145 -179.008 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -105.51 135.3 47.16 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 121.176 0.512 . . . . 1.64 111.407 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 7.2 t -127.2 152.82 46.86 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 115.782 -0.644 . . . . 1.1 110.476 178.615 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 137' ' ' SER . . . . . 0.583 ' HA ' ' O ' ' A' ' 127' ' ' MET . 52.4 m -142.98 130.4 21.09 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.146 -0.479 . . . . 1.06 110.665 176.485 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 138' ' ' ARG . . . . . 0.404 ' HA ' ' HA ' ' A' ' 16' ' ' ASP . 25.5 mtt180 -99.84 149.41 23.41 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.336 -0.616 . . . . 2.41 109.336 171.317 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 95.7 m-85 -109.09 100.62 9.76 Favored 'General case' 0 C--N 1.313 -0.996 0 N-CA-C 109.448 -0.575 . . . . 1.03 109.448 177.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 140' ' ' TYR . . . . . 0.433 ' HB2' ' HB3' ' A' ' 125' ' ' LEU . 51.6 m-85 -92.04 126.23 37.04 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.257 -0.883 . . . . 0.92 110.52 -175.266 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 141' ' ' LYS . . . . . 0.425 ' O ' ' N ' ' A' ' 12' ' ' LYS . 4.0 tppp? -89.35 155.79 19.12 Favored 'General case' 0 C--O 1.206 -1.201 0 N-CA-C 107.563 -1.273 . . . . 2.41 107.563 177.892 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -58.4 161.46 4.41 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 118.946 0.794 . . . . 2.59 109.95 166.566 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . 0.504 ' HA ' ' HG3' ' A' ' 12' ' ' LYS . 69.6 mm-40 . . . . . 0 C--O 1.246 0.87 0 O-C-N 121.491 -0.756 . . . . 1.74 112.014 167.747 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 17.1 m . . . . . 0 C--O 1.233 0.187 0 N-CA-C 109.968 -0.382 . . . . 1.44 109.968 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.736 ' HB2' ' CE1' ' A' ' 56' ' ' TYR . 3.2 mt -58.04 121.39 50.43 Favored Pre-proline 0 CA--C 1.516 -0.334 0 CA-C-O 120.696 0.284 . . . . 1.33 111.106 -177.372 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -73.79 140.11 28.61 Favored 'Trans proline' 0 N--CA 1.453 -0.873 0 C-N-CA 122.555 2.17 . . . . 0.81 110.811 173.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . 0.421 ' HA ' HD13 ' A' ' 8' ' ' LEU . 5.8 p-10 -51.44 -24.39 4.93 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 115.289 -0.869 . . . . 2.19 112.646 -176.262 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.536 ' HD2' ' H ' ' A' ' 6' ' ' LYS . 3.3 mptp? -58.22 -29.86 66.05 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.26 0.467 . . . . 3.1 112.26 -179.643 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 35.1 m-85 -92.25 -1.9 56.81 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.46 -0.496 . . . . 0.74 111.416 -178.454 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.421 HD13 ' HA ' ' A' ' 5' ' ' ASP . 98.8 mt -96.36 150.77 20.21 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.401 0.62 . . . . 1.12 112.029 -170.306 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 125.34 164.83 11.94 Favored Glycine 0 N--CA 1.442 -0.915 0 CA-C-N 114.876 -1.056 . . . . 0.52 111.437 -177.756 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 91.3 m -91.5 123.75 35.15 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 109.385 -0.598 . . . . 1.62 109.385 174.457 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 74.0 m-85 -116.51 129.58 56.28 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.404 -0.362 . . . . 0.57 111.234 -175.549 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.554 ' HB3' ' CD ' ' A' ' 143' ' ' GLN . 13.2 ptmm? -91.19 134.4 34.58 Favored 'General case' 0 C--O 1.234 0.289 0 C-N-CA 120.052 -0.659 . . . . 2.65 110.355 172.47 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.6 tt -58.38 124.93 21.21 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 108.981 -0.748 . . . . 1.79 108.981 172.482 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -101.68 -45.29 5.3 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.96 0.41 . . . . 2.08 110.511 -178.482 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 8.4 ptp180 -158.65 176.73 12.02 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.118 -0.492 . . . . 3.92 109.947 -178.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.412 ' HA ' ' HA ' ' A' ' 138' ' ' ARG . 6.8 p30 -148.49 165.65 30.53 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.981 0.42 . . . . 1.19 111.401 178.115 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -146.28 124.31 12.09 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.646 -0.706 . . . . 2.66 110.776 -174.737 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 57.6 t30 69.89 23.12 5.64 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-O 121.632 0.729 . . . . 0.97 111.019 174.606 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 26.0 t80 -76.72 -37.19 56.49 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.662 -0.699 . . . . 0.64 110.99 -174.226 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -60.02 -47.12 87.14 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 110.3 -0.259 . . . . 2.04 110.3 177.36 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -55.27 -42.75 73.95 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 116.395 -0.366 . . . . 1.79 111.269 176.314 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.517 ' CE1' ' HE1' ' A' ' 129' ' ' MET . 80.7 t80 -59.46 -40.81 88.08 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.268 -0.424 . . . . 1.12 110.67 176.176 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.448 HD12 ' HA ' ' A' ' 33' ' ' ARG . 84.9 mt -67.14 -38.1 84.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.914 0.388 . . . . 1.13 110.586 -177.679 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 25.8 mtpp -61.34 -51.08 70.34 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.969 -0.56 . . . . 2.43 109.944 176.494 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.35 -38.9 88.63 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.134 -0.939 . . . . 1.2 110.929 178.41 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 13.0 tpt180 -71.55 -9.03 57.59 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.073 -0.512 . . . . 1.71 111.233 -177.05 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 99.67 30.38 6.52 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.518 -0.849 . . . . 0.62 113.58 173.42 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 71.5 m-85 -107.45 117.03 33.03 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.283 0.563 . . . . 0.99 109.995 176.068 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -65.84 -64.06 3.65 Favored Glycine 0 C--O 1.228 -0.275 0 CA-C-N 114.746 -1.116 . . . . 1.54 114.078 -173.066 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 86.1 t90 -156.89 -60.17 0.09 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 117.316 0.558 . . . . 1.31 111.306 -177.534 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 1.1 mm -51.63 -50.63 29.95 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.202 0 CA-C-O 120.977 0.418 . . . . 2.68 111.748 -178.217 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.645 ' O ' HG13 ' A' ' 36' ' ' ILE . 63.9 mmm -57.99 -38.99 77.12 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.843 -0.617 . . . . 1.16 111.462 179.227 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.613 ' O ' ' HG2' ' A' ' 37' ' ' LYS . 11.5 mtm180 -63.5 -26.56 68.77 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.974 0.416 . . . . 2.48 110.081 -179.64 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -77.89 -22.06 50.32 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.819 -0.628 . . . . 2.4 110.455 -179.645 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.409 ' CG1' ' HG3' ' A' ' 64' ' ' LYS . 50.8 t -89.69 -65.16 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-O 121.205 0.526 . . . . 1.33 110.69 176.144 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.645 HG13 ' O ' ' A' ' 32' ' ' MET . 26.4 mt -46.35 -49.91 5.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 N-CA-C 114.819 1.414 . . . . 1.25 114.819 -172.593 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.613 ' HG2' ' O ' ' A' ' 33' ' ' ARG . 46.6 pttt -82.53 -3.13 55.43 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 119.554 -0.858 . . . . 1.62 111.842 -174.279 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.45 HD22 ' HG3' ' A' ' 37' ' ' LYS . 4.6 mm? -96.25 -5.56 40.03 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.926 0.393 . . . . 2.6 110.512 178.245 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -81.16 108.23 14.64 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.117 -0.492 . . . . 1.15 111.122 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -82.18 61.26 4.72 Favored Glycine 0 N--CA 1.45 -0.39 0 CA-C-N 116.006 -0.543 . . . . 0.84 112.202 179.342 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.561 ' HB ' HG21 ' A' ' 62' ' ' THR . 2.7 p -53.53 144.68 4.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 N-CA-C 113.684 0.994 . . . . 1.88 113.684 179.224 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 37.8 m -117.09 127.89 54.59 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 114.568 -1.196 . . . . 1.13 108.905 176.074 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.493 ' HE2' ' SD ' ' A' ' 127' ' ' MET . 48.4 mttp -104.14 139.83 38.66 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.792 0.329 . . . . 1.45 110.83 -176.613 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.657 ' O ' ' HA ' ' A' ' 58' ' ' MET . 57.7 mtpt -125.34 106.71 10.04 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.145 -0.479 . . . . 2.46 111.292 -175.695 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.515 ' HZ ' ' CD1' ' A' ' 118' ' ' TYR . 56.6 m-85 -101.25 118.43 36.97 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.587 -0.523 . . . . 0.63 109.587 175.406 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 9.9 ptm180 -151.45 172.26 16.25 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 120.603 0.24 . . . . 3.72 111.229 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . 0.476 ' HA ' ' CD2' ' A' ' 56' ' ' TYR . 33.1 m-80 -58.62 159.69 6.32 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.558 -0.746 . . . . 1.9 109.628 172.166 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.12 151.87 11.55 Favored 'General case' 0 CA--C 1.519 -0.219 0 N-CA-C 112.426 0.528 . . . . 1.18 112.426 -172.689 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -50.38 -60.46 2.97 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.711 -0.677 . . . . 1.94 110.984 -179.588 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 74.0 m -77.98 21.45 0.32 Allowed 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 112.965 0.728 . . . . 2.82 112.965 -178.166 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 62.04 37.53 94.59 Favored Glycine 0 CA--C 1.518 0.278 0 C-N-CA 121.115 -0.564 . . . . 1.96 113.815 176.59 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 5.8 mptp? -84.2 133.91 44.35 Favored Pre-proline 0 C--N 1.324 -0.531 0 N-CA-C 109.91 -0.404 . . . . 3.54 109.91 177.287 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.421 ' O ' ' HB2' ' A' ' 54' ' ' ASP . 67.5 Cg_endo -71.45 140.63 36.92 Favored 'Trans proline' 0 C--O 1.238 0.506 0 C-N-CA 122.605 2.203 . . . . 2.1 112.559 -178.439 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.421 ' HB2' ' O ' ' A' ' 53' ' ' PRO . 21.6 m-20 76.09 -38.86 0.35 Allowed 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 123.882 0.873 . . . . 2.44 110.857 179.452 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.401 ' HG2' ' HB1' ' A' ' 73' ' ' ALA . 60.8 mtp85 -72.3 143.03 48.85 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.254 0.549 . . . . 4.72 110.766 170.691 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.736 ' CE1' ' HB2' ' A' ' 3' ' ' LEU . 78.3 m-85 -128.92 -177.64 4.29 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.95 -0.568 . . . . 1.39 110.937 -177.132 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.425 ' OD2' ' HA ' ' A' ' 70' ' ' LYS . 11.0 t70 -137.58 143.09 41.35 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.042 -0.725 . . . . 1.1 109.042 -177.848 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.657 ' HA ' ' O ' ' A' ' 44' ' ' LYS . 1.3 tmm? -144.88 124.27 13.08 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.93 0.395 . . . . 1.22 110.815 -177.737 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -116.06 152.89 32.7 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.182 0.515 . . . . 1.77 111.986 -179.464 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.496 ' HB2' ' OG1' ' A' ' 67' ' ' THR . 49.2 m-80 -126.25 91.64 3.41 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.273 -0.876 . . . . 1.55 109.222 174.205 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.475 ' O ' ' HA ' ' A' ' 41' ' ' VAL . 3.8 mm? -85.61 111.7 20.31 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 109.653 -0.499 . . . . 2.22 109.653 179.549 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.561 HG21 ' HB ' ' A' ' 41' ' ' VAL . 3.8 p -116.69 -167.6 1.32 Allowed 'General case' 0 N--CA 1.443 -0.781 0 N-CA-C 109.882 -0.414 . . . . 1.16 109.882 -175.407 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 80.6 p -97.08 -31.86 12.27 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-O 120.989 0.423 . . . . 1.14 110.947 -176.606 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.409 ' HG3' ' CG1' ' A' ' 35' ' ' VAL . 48.6 mmtm -112.95 2.84 15.97 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.08 -0.509 . . . . 2.64 110.877 -177.595 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.451 ' O ' ' HB3' ' A' ' 66' ' ' ASP . 5.4 mmtt -153.68 -153.31 0.46 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.157 -0.474 . . . . 2.34 110.438 -176.571 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.451 ' HB3' ' O ' ' A' ' 65' ' ' LYS . 5.6 p-10 160.58 126.3 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 114.754 -1.112 . . . . 2.12 108.416 -174.018 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.496 ' OG1' ' HB2' ' A' ' 60' ' ' ASN . 67.6 p -133.4 152.22 51.9 Favored 'General case' 0 C--N 1.314 -0.955 0 N-CA-C 109.74 -0.467 . . . . 1.17 109.74 178.676 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 9.6 t-160 -140.44 98.27 3.39 Favored 'General case' 0 C--N 1.317 -0.832 0 N-CA-C 109.859 -0.423 . . . . 2.5 109.859 -177.168 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 14.8 m-70 -73.74 83.51 1.62 Allowed 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 108.03 -1.1 . . . . 0.48 108.03 173.374 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.45 ' H ' ' HG2' ' A' ' 70' ' ' LYS . 10.5 ptpt -82.38 109.95 17.09 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.605 -0.725 . . . . 2.79 112.451 -172.009 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 7.0 t70 63.69 75.27 0.39 Allowed 'General case' 0 C--O 1.238 0.47 0 CA-C-N 114.69 -1.141 . . . . 2.07 111.395 173.604 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 69.4 p-90 -118.91 158.32 25.94 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.61 -0.723 . . . . 0.51 110.275 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.511 ' O ' ' HB3' ' A' ' 76' ' ' GLU . . . -120.04 149.14 42.66 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 110.148 -0.316 . . . . 1.22 110.148 174.642 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.525 HD12 ' H ' ' A' ' 74' ' ' LEU . 0.0 OUTLIER -64.79 144.11 57.48 Favored 'General case' 0 C--N 1.32 -0.707 0 C-N-CA 119.918 -0.713 . . . . 2.28 109.534 168.73 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 79.91 1.85 87.85 Favored Glycine 0 C--N 1.314 -0.676 0 CA-C-N 115.335 -0.848 . . . . 0.66 111.841 -171.056 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.511 ' HB3' ' O ' ' A' ' 73' ' ' ALA . 8.7 tp10 -106.3 153.25 22.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.402 0.62 . . . . 2.37 110.933 -176.332 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -125.54 108.97 12.12 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 114.768 -1.105 . . . . 1.4 108.413 -179.547 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 47.9 p90 -119.01 156.31 29.86 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-O 120.857 0.36 . . . . 0.69 111.001 -173.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 -91.8 139.28 30.82 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.226 -0.657 . . . . 2.38 109.226 175.039 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 43.2 t0 -165.28 167.69 17.68 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.112 -0.699 . . . . 1.26 109.112 -175.5 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.416 ' HA ' ' HA ' ' A' ' 87' ' ' GLN . 39.6 tt0 -103.15 113.81 27.59 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.006 -0.738 . . . . 2.26 109.006 178.81 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -85.24 175.69 8.79 Favored 'General case' 0 C--N 1.311 -1.084 0 CA-C-N 114.954 -1.021 . . . . 1.61 111.882 -174.596 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.4 HD21 HG22 ' A' ' 67' ' ' THR . 68.1 mt -63.93 -17.7 63.5 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.774 -0.648 . . . . 1.98 110.999 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -74.33 7.9 2.55 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.371 -0.831 . . . . 1.55 112.312 -179.717 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 48.2 t 75.83 -2.33 2.79 Favored 'General case' 0 N--CA 1.467 0.407 0 N-CA-C 112.539 0.57 . . . . 1.68 112.539 172.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 13.6 p -119.56 165.52 14.32 Favored 'General case' 0 C--N 1.321 -0.63 0 O-C-N 121.959 -0.463 . . . . 1.5 110.272 175.448 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . 0.416 ' HA ' ' HA ' ' A' ' 81' ' ' GLU . 1.6 pt20 -115.89 132.21 56.71 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.48 0.657 . . . . 1.88 110.171 -179.842 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . 0.624 ' HB2' ' O ' ' A' ' 105' ' ' ILE . 9.2 p80 -154.53 -174.69 5.07 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 114.748 -1.114 . . . . 1.51 109.723 -171.76 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.545 ' CG ' ' HB ' ' A' ' 105' ' ' ILE . 17.7 ptpt -80.29 147.91 30.96 Favored 'General case' 0 N--CA 1.448 -0.55 0 C-N-CA 120.404 -0.518 . . . . 1.95 109.73 179.497 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 71.4 mt -140.59 132.86 31.51 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.969 0 CA-C-N 115.455 -0.793 . . . . 1.19 109.739 178.291 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 52.6 m -116.59 129.81 56.38 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-O 121.134 0.493 . . . . 1.12 111.312 -179.69 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.428 ' CE1' ' HG3' ' A' ' 102' ' ' GLU . 8.4 m-85 -109.05 134.85 51.13 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 108.041 -1.096 . . . . 0.81 108.041 174.348 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -154.53 139.4 17.19 Favored 'General case' 0 C--N 1.315 -0.912 0 C-N-CA 120.613 -0.435 . . . . 1.69 110.518 -178.229 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.413 HD23 HD22 ' A' ' 3' ' ' LEU . 1.4 mm? -80.39 109.21 14.67 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 109.107 -0.701 . . . . 1.81 109.107 175.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 83.0 tttt -85.44 -55.23 4.11 Favored 'General case' 0 C--N 1.317 -0.821 0 N-CA-C 108.592 -0.892 . . . . 3.48 108.592 -173.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 43.7 m-20 -133.99 164.06 46.68 Favored Pre-proline 0 C--N 1.318 -0.782 0 N-CA-C 107.797 -1.186 . . . . 1.79 107.797 174.192 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_exo -67.18 4.89 1.01 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.829 2.353 . . . . 1.07 112.511 -178.278 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 5.0 p-10 -136.18 14.35 3.28 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.969 -0.56 . . . . 2.63 110.441 177.319 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 85.9 m -152.13 112.57 4.11 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-O 121.471 0.653 . . . . 1.26 112.268 -178.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -93.95 139.31 31.07 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.903 -1.147 . . . . 1.78 107.903 173.327 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' THR . . . . . 0.474 HG23 ' HG2' ' A' ' 117' ' ' GLU . 17.3 p -112.95 133.86 54.72 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 119.255 0.934 . . . . 1.11 111.817 -178.848 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.428 ' HG3' ' CE1' ' A' ' 92' ' ' PHE . 30.5 tt0 -120.22 109.04 14.94 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.69 -0.686 . . . . 1.31 109.694 174.752 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 91.0 m -107.4 123.51 48.48 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.235 0.541 . . . . 1.12 110.932 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' HIS . . . . . 0.538 ' HB3' ' CE1' ' A' ' 88' ' ' HIS . 3.8 m170 -96.89 122.66 40.1 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.477 -0.783 . . . . 2.22 108.94 177.271 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.624 ' O ' ' HB2' ' A' ' 88' ' ' HIS . 47.0 mt -122.96 119.37 57.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 120.905 0.383 . . . . 1.36 110.217 174.005 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . 0.497 ' HA ' ' CB ' ' A' ' 88' ' ' HIS . 55.7 mtpt -64.36 118.13 8.25 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.744 -0.662 . . . . 2.12 111.408 179.214 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 6.8 m -63.7 -18.34 22.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.466 -0.788 . . . . 2.03 111.424 176.568 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -90.25 -41.8 11.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.117 -0.492 . . . . 2.5 110.619 177.701 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . 0.491 ' O ' ' HB2' ' A' ' 106' ' ' LYS . 5.8 m-20 -138.49 88.94 14.1 Favored Pre-proline 0 C--N 1.326 -0.454 0 CA-C-N 116.166 -0.47 . . . . 2.39 110.547 176.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -70.62 3.5 3.14 Favored 'Trans proline' 0 C--O 1.234 0.3 0 C-N-CA 123.29 2.66 . . . . 0.91 112.883 -178.403 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 34.3 p -80.28 -28.31 38.38 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-O 121.246 0.546 . . . . 1.91 109.556 173.477 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -92.33 114.95 27.63 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.549 -0.75 . . . . 1.59 109.132 174.725 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.487 HG13 HG12 ' A' ' 105' ' ' ILE . 2.8 m -123.37 178.32 3.42 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.02 0 CA-C-N 115.909 -0.587 . . . . 2.17 109.821 -177.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -170.68 119.25 0.53 Allowed 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 109.834 -0.432 . . . . 2.78 109.834 -178.603 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 89.4 m -123.57 123.94 41.7 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.399 0.618 . . . . 1.18 111.939 -174.664 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' TYR . . . . . 0.499 ' CE1' ' HE3' ' A' ' 129' ' ' MET . 2.5 m-30 -99.17 156.93 16.71 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 107.201 -1.407 . . . . 1.49 107.201 171.395 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . 0.474 ' HG2' HG23 ' A' ' 101' ' ' THR . 36.7 mt-10 -133.21 122.48 24.03 Favored 'General case' 0 N--CA 1.444 -0.754 0 N-CA-C 107.146 -1.427 . . . . 1.53 107.146 172.811 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . 0.547 ' CE1' ' HE3' ' A' ' 127' ' ' MET . 73.9 m-85 -88.12 104.61 16.85 Favored 'General case' 0 C--N 1.316 -0.866 0 N-CA-C 109.283 -0.636 . . . . 1.0 109.283 -179.716 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 17.2 ptt180 -115.8 149.88 37.83 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.835 -0.432 . . . . 3.96 109.835 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . 0.542 ' NH2' ' HA ' ' A' ' 123' ' ' ASP . 10.0 mmm180 -100.54 136.01 41.08 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.94 0.4 . . . . 2.25 111.464 -178.623 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -133.46 89.09 2.55 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.764 -0.653 . . . . 1.08 109.36 174.611 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 77.25 -109.69 2.85 Favored Glycine 0 N--CA 1.446 -0.645 0 CA-C-N 115.698 -0.683 . . . . 1.04 111.395 -176.751 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . 0.542 ' HA ' ' NH2' ' A' ' 120' ' ' ARG . 15.8 m-20 -109.84 10.37 24.52 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.091 0.472 . . . . 2.31 110.574 177.704 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -108.18 139.48 42.8 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.036 -0.529 . . . . 1.17 111.47 -175.259 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . 0.453 ' O ' ' HB2' ' A' ' 140' ' ' TYR . 3.2 tm? -92.72 118.84 31.49 Favored 'General case' 0 N--CA 1.447 -0.606 0 N-CA-C 107.24 -1.392 . . . . 1.66 107.24 172.209 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 44.0 t -108.6 122.78 63.67 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.928 0 C-N-CA 120.327 -0.549 . . . . 1.1 110.671 -170.576 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' MET . . . . . 0.547 ' HE3' ' CE1' ' A' ' 118' ' ' TYR . 0.0 OUTLIER -79.15 123.99 27.9 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.329 -0.851 . . . . 1.4 110.119 178.636 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . 0.532 ' HE2' ' OG ' ' A' ' 130' ' ' SER . 18.5 tptm -113.36 111.43 21.97 Favored 'General case' 0 C--N 1.317 -0.811 0 N-CA-C 109.347 -0.612 . . . . 2.68 109.347 177.498 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' MET . . . . . 0.517 ' HE1' ' CE1' ' A' ' 22' ' ' TYR . 59.1 mtp -128.56 129.03 45.39 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.508 -0.553 . . . . 1.66 109.508 -179.821 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' SER . . . . . 0.532 ' OG ' ' HE2' ' A' ' 128' ' ' LYS . 2.3 m -132.29 134.95 45.86 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.176 0.512 . . . . 1.5 111.005 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 131' ' ' TRP . . . . . . . . . . . . . 42.6 t-105 -148.91 129.46 13.98 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.269 -0.878 . . . . 0.88 109.687 176.575 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 68.5 mttm 54.37 38.61 29.84 Favored 'General case' 0 C--N 1.327 -0.389 0 O-C-N 123.664 0.603 . . . . 2.42 111.207 -178.339 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 82.88 -10.49 57.21 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.998 -0.62 . . . . 0.53 113.096 179.418 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . 0.499 ' O ' ' HA ' ' A' ' 130' ' ' SER . 8.2 t -86.86 108.34 17.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.753 0.277 . . . . 1.13 110.416 -178.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -102.36 126.71 49.46 Favored 'General case' 0 N--CA 1.445 -0.681 0 CA-C-O 121.506 0.67 . . . . 1.64 111.362 177.419 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 136' ' ' THR . . . . . 0.482 ' CG2' ' HB2' ' A' ' 129' ' ' MET . 5.1 t -114.38 135.73 53.77 Favored 'General case' 0 C--N 1.312 -1.03 0 CA-C-N 115.155 -0.929 . . . . 1.1 109.792 178.747 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 137' ' ' SER . . . . . 0.447 ' HA ' ' O ' ' A' ' 127' ' ' MET . 14.8 m -115.08 108.59 16.86 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.102 -0.499 . . . . 1.06 110.011 178.048 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 138' ' ' ARG . . . . . 0.429 ' HB2' ' HB3' ' A' ' 127' ' ' MET . 44.9 mtp180 -99.14 128.46 45.28 Favored 'General case' 0 C--N 1.319 -0.717 0 N-CA-C 109.244 -0.65 . . . . 2.41 109.244 178.456 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 91.1 m-85 -97.25 113.22 24.8 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 121.079 0.466 . . . . 1.03 111.301 -170.722 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 140' ' ' TYR . . . . . 0.468 ' HH ' HG12 ' A' ' 41' ' ' VAL . 24.1 m-85 -104.71 135.1 46.72 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.52 -0.764 . . . . 0.92 109.585 177.166 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 141' ' ' LYS . . . . . 0.407 ' O ' ' N ' ' A' ' 12' ' ' LYS . 12.5 ptpt -109.11 169.2 8.84 Favored 'General case' 0 C--N 1.312 -1.038 0 N-CA-C 107.625 -1.25 . . . . 2.41 107.625 171.546 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 142' ' ' LYS . . . . . 0.482 ' O ' ' HG2' ' A' ' 12' ' ' LYS . 61.7 tttm -53.14 164.0 0.48 Allowed 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 118.599 0.636 . . . . 2.59 111.421 171.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . 0.554 ' CD ' ' HB3' ' A' ' 12' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.054 0 O-C-N 121.349 -0.844 . . . . 1.74 109.375 159.593 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.0 m . . . . . 0 N--CA 1.448 -0.573 0 CA-C-O 120.791 0.329 . . . . 1.44 110.335 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.617 ' HB2' ' CE1' ' A' ' 56' ' ' TYR . 0.5 OUTLIER -65.23 121.39 74.22 Favored Pre-proline 0 C--N 1.323 -0.551 0 CA-C-N 115.759 -0.655 . . . . 1.33 110.173 179.675 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 25.4 Cg_exo -61.12 136.88 67.77 Favored 'Trans proline' 0 N--CA 1.46 -0.471 0 C-N-CA 122.58 2.187 . . . . 0.81 111.068 174.22 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . 0.5 ' HA ' HD11 ' A' ' 8' ' ' LEU . 4.7 m-20 -58.42 -21.46 50.9 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 115.88 -0.6 . . . . 2.19 111.022 -178.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 48.4 tttm -55.12 -33.84 63.2 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 115.542 -0.754 . . . . 3.1 112.164 175.155 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 70.6 m-85 -90.19 -2.04 58.01 Favored 'General case' 0 C--N 1.331 -0.199 0 O-C-N 121.934 -0.479 . . . . 0.74 110.905 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.5 HD11 ' HA ' ' A' ' 5' ' ' ASP . 90.4 mt -98.32 166.14 11.53 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.477 0.656 . . . . 1.12 111.773 -172.512 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 117.79 -162.73 12.95 Favored Glycine 0 N--CA 1.446 -0.689 0 CA-C-N 114.943 -1.026 . . . . 0.52 111.263 179.184 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.546 ' O ' ' HA ' ' A' ' 142' ' ' LYS . 14.9 t -130.17 140.24 50.78 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-O 121.115 0.484 . . . . 1.62 110.115 174.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.445 ' HA ' ' HA ' ' A' ' 142' ' ' LYS . 51.3 m-85 -131.08 132.43 44.87 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 115.724 -0.671 . . . . 0.57 111.229 -176.35 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.453 ' HB3' ' NE2' ' A' ' 143' ' ' GLN . 2.9 ptpp? -91.04 137.01 32.69 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 120.453 -0.499 . . . . 2.65 110.018 170.638 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.539 HD13 ' NH2' ' A' ' 138' ' ' ARG . 5.1 tt -54.5 119.72 5.64 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.696 -0.684 . . . . 1.79 110.675 175.126 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -90.81 -55.24 3.64 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.829 -0.434 . . . . 2.08 109.829 174.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 6.5 ptm180 -164.9 -171.47 2.27 Favored 'General case' 0 CA--C 1.529 0.157 0 CA-C-N 116.387 -0.369 . . . . 3.92 110.691 -177.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -159.52 170.83 20.84 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.203 -0.453 . . . . 1.19 110.427 177.266 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -139.56 127.72 22.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.392 -0.367 . . . . 2.66 110.413 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 64.7 t30 70.9 23.07 4.45 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-O 122.043 0.925 . . . . 0.97 110.994 176.244 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 28.9 t80 -72.09 -42.02 66.65 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.175 -0.92 . . . . 0.64 111.154 -174.258 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.548 ' OD1' ' HE2' ' A' ' 24' ' ' LYS . 21.3 t70 -53.12 -53.81 44.91 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 116.4 -0.363 . . . . 2.04 111.463 177.862 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -59.29 -36.47 75.64 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-N 116.111 -0.495 . . . . 1.79 111.549 -179.602 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.596 ' CE1' ' HE2' ' A' ' 129' ' ' MET . 84.0 t80 -60.79 -38.4 85.17 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-O 120.804 0.335 . . . . 1.12 110.898 175.86 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 84.5 mt -66.64 -36.88 83.63 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.784 0.326 . . . . 1.13 110.399 -179.085 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.548 ' HE2' ' OD1' ' A' ' 20' ' ' ASP . 68.0 mttm -63.13 -43.51 98.19 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.371 0.605 . . . . 2.43 109.633 176.46 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.71 -44.72 96.24 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 114.982 -1.008 . . . . 1.2 111.32 179.03 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 15.6 mmm180 -70.61 -10.39 59.19 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.325 -0.398 . . . . 1.71 111.838 -178.172 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 91.92 24.13 25.97 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.57 -0.824 . . . . 0.62 112.573 177.412 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 62.9 m-85 -89.68 122.21 32.58 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.798 -0.445 . . . . 0.99 109.798 177.082 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.476 ' O ' ' HG3' ' A' ' 33' ' ' ARG . . . -75.0 -175.75 36.51 Favored Glycine 0 N--CA 1.443 -0.861 0 CA-C-N 115.375 -0.83 . . . . 1.54 112.699 -176.483 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.458 ' O ' ' HG2' ' A' ' 34' ' ' GLN . 90.4 t90 -53.88 -51.61 63.1 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 122.478 0.311 . . . . 1.31 111.391 -175.234 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.425 HD13 ' HA ' ' A' ' 31' ' ' ILE . 1.0 OUTLIER -55.47 -53.16 39.12 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.139 0 CA-C-N 116.406 -0.361 . . . . 2.68 111.859 -179.41 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.614 ' O ' HG13 ' A' ' 36' ' ' ILE . 52.2 mmm -56.99 -43.94 82.24 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.324 -0.398 . . . . 1.16 111.354 179.85 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.476 ' HG3' ' O ' ' A' ' 29' ' ' GLY . 71.9 mtm-85 -62.36 -30.78 71.43 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 120.941 -0.304 . . . . 2.48 110.928 -179.322 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.574 ' O ' HD22 ' A' ' 38' ' ' LEU . 10.3 mm100 -72.58 -26.33 61.67 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.934 0.397 . . . . 2.4 110.403 178.45 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.434 ' CG1' ' HG3' ' A' ' 64' ' ' LYS . 83.6 t -83.92 -63.76 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 116.173 -0.467 . . . . 1.33 110.717 176.623 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.614 HG13 ' O ' ' A' ' 32' ' ' MET . 33.1 mt -48.91 -41.03 12.89 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.394 0 C-N-CA 123.976 0.91 . . . . 1.25 113.417 -176.519 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 56.5 mtmt -74.5 -24.24 58.97 Favored 'General case' 0 N--CA 1.466 0.342 0 O-C-N 122.058 -0.401 . . . . 1.62 112.055 -176.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.574 HD22 ' O ' ' A' ' 34' ' ' GLN . 3.9 mm? -103.84 3.3 33.71 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.79 0.328 . . . . 2.6 111.33 -174.022 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -89.83 120.1 30.78 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 120.898 0.38 . . . . 1.15 110.739 -179.713 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.442 ' O ' ' HA ' ' A' ' 62' ' ' THR . . . -72.93 143.55 33.63 Favored Glycine 0 N--CA 1.445 -0.753 0 N-CA-C 110.852 -0.899 . . . . 0.84 110.852 174.681 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 45.9 t -127.86 133.49 67.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-O 121.109 0.48 . . . . 1.88 111.272 -173.747 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 99.5 m -114.17 115.76 28.0 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.598 -0.728 . . . . 1.13 110.54 174.58 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.434 ' O ' ' HA ' ' A' ' 10' ' ' THR . 74.8 mmtt -87.97 136.78 32.81 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.311 -0.626 . . . . 1.45 109.311 176.047 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.499 ' O ' ' HA ' ' A' ' 58' ' ' MET . 28.0 mtpp -137.42 103.48 5.08 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.741 0.305 . . . . 2.46 111.196 -179.639 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 79.5 m-85 -107.07 118.48 36.81 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.845 -0.616 . . . . 0.63 109.645 176.476 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.429 HH11 ' HD3' ' A' ' 46' ' ' ARG . 1.6 ptm180 -146.4 167.74 22.86 Favored 'General case' 0 C--N 1.32 -0.696 0 C-N-CA 121.015 -0.274 . . . . 3.72 111.225 -179.457 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 48.6 m-80 -54.26 147.15 13.81 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.691 -0.686 . . . . 1.9 109.373 172.498 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.478 ' O ' ' N ' ' A' ' 50' ' ' SER . . . -62.93 105.22 0.64 Allowed 'General case' 0 CA--C 1.51 -0.569 0 N-CA-C 112.809 0.67 . . . . 1.18 112.809 -170.808 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 55.32 -72.35 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.553 0 O-C-N 124.927 1.392 . . . . 1.94 113.85 167.736 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.478 ' N ' ' O ' ' A' ' 48' ' ' ALA . 42.4 m -80.93 -24.85 37.9 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.909 -0.587 . . . . 2.82 110.234 -176.536 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 115.04 33.35 1.67 Allowed Glycine 0 N--CA 1.447 -0.598 0 CA-C-N 115.55 -0.75 . . . . 1.96 111.34 -178.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -89.28 143.89 31.58 Favored Pre-proline 0 N--CA 1.444 -0.765 0 CA-C-N 115.33 -0.435 . . . . 3.54 110.218 -175.622 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.463 ' C ' ' H ' ' A' ' 55' ' ' ARG . 98.5 Cg_endo -88.34 167.17 6.49 Favored 'Trans proline' 0 N--CA 1.457 -0.628 0 C-N-CA 122.721 2.28 . . . . 2.1 112.492 178.199 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 36.5 m-20 69.91 -3.86 1.62 Allowed 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 123.402 0.681 . . . . 2.44 111.051 176.734 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.463 ' H ' ' C ' ' A' ' 53' ' ' PRO . 11.2 mtt180 -148.5 131.7 16.43 Favored 'General case' 0 N--CA 1.444 -0.73 0 N-CA-C 107.732 -1.21 . . . . 4.72 107.732 173.456 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.617 ' CE1' ' HB2' ' A' ' 3' ' ' LEU . 80.4 m-85 -129.56 175.5 8.74 Favored 'General case' 0 C--N 1.314 -0.976 0 CA-C-O 121.343 0.592 . . . . 1.39 111.945 -169.709 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.483 ' OD2' ' HA ' ' A' ' 70' ' ' LYS . 14.7 t70 -124.45 137.29 54.45 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 114.852 -1.067 . . . . 1.1 109.027 -177.427 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.499 ' HA ' ' O ' ' A' ' 44' ' ' LYS . 9.9 tpt -137.75 128.0 26.15 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.953 0.406 . . . . 1.22 110.597 -175.756 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.524 ' HG3' ' O ' ' A' ' 67' ' ' THR . 39.1 tt0 -131.92 143.43 50.12 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 116.164 -0.471 . . . . 1.77 111.139 -175.642 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.481 ' HB2' ' OG1' ' A' ' 67' ' ' THR . 37.3 m-80 -122.84 90.47 3.3 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 108.957 -0.757 . . . . 1.55 108.957 178.368 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 61.9 tp -88.97 123.48 33.34 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 109.5 -0.556 . . . . 2.22 109.5 179.623 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.442 ' HA ' ' O ' ' A' ' 40' ' ' GLY . 38.8 p -128.94 -173.0 2.86 Favored 'General case' 0 N--CA 1.442 -0.859 0 N-CA-C 109.742 -0.466 . . . . 1.16 109.742 -176.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 33.9 p -81.43 -24.69 36.72 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-O 121.206 0.527 . . . . 1.14 111.202 -177.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.434 ' HG3' ' CG1' ' A' ' 35' ' ' VAL . 30.9 mmmt -114.96 -24.13 8.76 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.937 -0.574 . . . . 2.64 111.901 -174.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.557 ' HE2' ' O ' ' A' ' 83' ' ' LEU . 29.8 mmmt -130.85 -156.62 0.77 Allowed 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.434 0.635 . . . . 2.34 112.607 -168.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.454 ' H ' ' HB3' ' A' ' 65' ' ' LYS . 13.3 t70 173.33 142.4 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 114.228 -1.351 . . . . 2.12 109.036 -171.318 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.524 ' O ' ' HG3' ' A' ' 59' ' ' GLU . 5.3 p -152.1 136.92 17.11 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 108.54 -0.911 . . . . 1.17 108.54 173.654 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 8.1 t-160 -131.63 84.3 2.16 Favored 'General case' 0 C--N 1.316 -0.89 0 C-N-CA 120.459 -0.496 . . . . 2.5 109.724 -176.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 17.2 m-70 -73.04 85.73 1.31 Allowed 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 108.701 -0.852 . . . . 0.48 108.701 177.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.483 ' HA ' ' OD2' ' A' ' 57' ' ' ASP . 14.6 ptpt -89.65 122.92 33.24 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 120.992 0.425 . . . . 2.79 112.12 -175.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.42 ' OD1' ' HD3' ' A' ' 55' ' ' ARG . 38.9 t70 65.75 75.05 0.36 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 114.933 -1.031 . . . . 2.07 111.209 173.591 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 65.3 p-90 -128.32 159.02 36.59 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.791 -0.641 . . . . 0.51 110.305 176.22 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.496 ' O ' ' HB3' ' A' ' 76' ' ' GLU . . . -127.97 155.37 44.37 Favored 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 109.835 -0.432 . . . . 1.22 109.835 171.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.583 HD12 ' H ' ' A' ' 74' ' ' LEU . 0.0 OUTLIER -63.76 147.02 52.78 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.313 0.577 . . . . 2.28 109.931 171.9 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 73.55 6.74 71.9 Favored Glycine 0 C--N 1.313 -0.709 0 CA-C-N 115.501 -0.772 . . . . 0.66 111.9 -171.64 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.496 ' HB3' ' O ' ' A' ' 73' ' ' ALA . 34.6 tt0 -114.54 150.58 34.72 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-O 121.112 0.482 . . . . 2.37 110.541 -178.529 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.472 ' HG3' ' HG1' ' A' ' 91' ' ' THR . 29.0 tt0 -131.32 123.53 28.5 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.239 -0.892 . . . . 1.4 109.36 -172.846 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 45.1 p90 -133.94 161.88 33.59 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.934 0.397 . . . . 0.69 111.644 -174.508 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 57.3 tt0 -84.84 134.57 34.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.679 -0.691 . . . . 2.38 109.504 175.631 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -143.48 155.77 44.45 Favored 'General case' 0 C--O 1.242 0.68 0 CA-C-O 120.812 0.339 . . . . 1.26 111.266 -170.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.424 ' HG3' ' OE1' ' A' ' 87' ' ' GLN . 28.0 tt0 -93.36 89.17 6.25 Favored 'General case' 0 N--CA 1.447 -0.581 0 N-CA-C 107.81 -1.181 . . . . 2.26 107.81 175.309 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.88 166.88 12.54 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 114.364 -1.289 . . . . 1.61 114.127 -164.765 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.557 ' O ' ' HE2' ' A' ' 65' ' ' LYS . 13.2 tp -71.98 -28.37 63.37 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 113.383 -1.735 . . . . 1.98 110.43 -174.844 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -83.04 26.84 0.59 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.74 -0.664 . . . . 1.55 111.794 178.103 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 69.6 m 62.25 33.45 16.65 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 115.763 -0.653 . . . . 1.68 112.183 171.413 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 23.3 p -131.54 174.11 10.43 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.184 -0.462 . . . . 1.5 110.462 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . 0.424 ' OE1' ' HG3' ' A' ' 81' ' ' GLU . 9.8 mm100 -120.45 101.84 8.05 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 108.852 -0.796 . . . . 1.88 108.852 179.204 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . 0.59 ' HB2' ' O ' ' A' ' 105' ' ' ILE . 16.3 p80 -147.03 177.05 9.46 Favored 'General case' 0 C--N 1.319 -0.749 0 C-N-CA 120.386 -0.526 . . . . 1.51 111.163 -175.488 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.412 ' H ' HG13 ' A' ' 107' ' ' VAL . 55.7 pttt -85.63 153.97 22.01 Favored 'General case' 0 N--CA 1.442 -0.857 0 CA-C-O 121.184 0.516 . . . . 1.95 110.364 -174.726 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 52.1 mt -140.23 137.56 37.39 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.944 0 CA-C-N 115.238 -0.892 . . . . 1.19 110.113 -179.361 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.472 ' HG1' ' HG3' ' A' ' 77' ' ' GLU . 9.8 m -123.78 141.2 52.25 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.121 -0.49 . . . . 1.12 110.602 -179.534 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 52.7 m-85 -112.7 149.47 32.87 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 108.527 -0.916 . . . . 0.81 108.527 173.112 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -155.44 130.62 9.5 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 120.794 0.331 . . . . 1.69 111.023 178.341 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -82.05 106.04 13.64 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 108.206 -1.035 . . . . 1.81 108.206 174.252 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 52.4 tttm -85.2 -57.65 3.0 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 109.265 -0.642 . . . . 3.48 109.265 -172.366 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . 0.408 ' C ' ' H ' ' A' ' 98' ' ' ASN . 37.6 m-20 -129.59 164.59 38.88 Favored Pre-proline 0 C--N 1.319 -0.74 0 N-CA-C 107.92 -1.141 . . . . 1.79 107.92 177.715 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 21.2 Cg_exo -66.79 8.16 0.36 Allowed 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.938 2.425 . . . . 1.07 113.097 -176.519 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . 0.408 ' H ' ' C ' ' A' ' 96' ' ' ASP . 64.6 t30 -145.68 25.5 1.32 Allowed 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.321 -0.622 . . . . 2.63 109.321 174.731 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 22.0 m -151.51 103.81 3.01 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 121.198 0.523 . . . . 1.26 112.081 -179.715 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.462 ' HB3' ' HB2' ' A' ' 118' ' ' TYR . 18.9 tp -94.28 151.67 19.26 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 108.207 -1.035 . . . . 1.78 108.207 169.38 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 13.9 p -129.87 139.93 51.09 Favored 'General case' 0 C--N 1.322 -0.629 0 O-C-N 121.502 -0.749 . . . . 1.11 111.573 179.495 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 54.2 tt0 -117.21 108.33 15.53 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.172 -0.677 . . . . 1.31 109.172 175.559 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 93.6 m -102.17 118.99 38.05 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.039 -0.528 . . . . 1.12 110.839 -176.142 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' HIS . . . . . 0.431 ' HB3' ' CE1' ' A' ' 88' ' ' HIS . 9.8 m170 -99.98 121.93 42.11 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.835 -0.62 . . . . 2.22 109.788 179.372 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.59 ' O ' ' HB2' ' A' ' 88' ' ' HIS . 57.1 mt -124.14 118.97 55.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 121.206 0.527 . . . . 1.36 111.456 175.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . 0.536 ' HA ' ' CB ' ' A' ' 88' ' ' HIS . 60.9 mttp -62.2 113.42 2.86 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 114.903 -1.044 . . . . 2.12 111.125 176.451 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . 0.412 HG13 ' H ' ' A' ' 89' ' ' LYS . 16.1 m -59.28 -22.2 21.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.224 -0.898 . . . . 2.03 112.029 178.782 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -86.57 -34.47 19.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.872 0.368 . . . . 2.5 110.662 179.702 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -148.65 93.43 4.29 Favored Pre-proline 0 C--N 1.327 -0.375 0 CA-C-O 121.601 0.715 . . . . 2.39 109.778 178.387 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -75.31 9.39 2.16 Favored 'Trans proline' 0 C--N 1.33 -0.411 0 C-N-CA 123.223 2.615 . . . . 0.91 113.724 -173.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 33.3 p -85.54 -24.66 27.19 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.299 -0.56 . . . . 1.91 110.017 177.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -90.22 58.28 4.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.481 0.658 . . . . 1.59 109.988 176.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 7.2 p -61.86 155.47 4.56 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.248 0 CA-C-N 115.282 -0.872 . . . . 2.17 109.683 172.281 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -152.17 125.41 8.7 Favored 'General case' 0 C--N 1.313 -1.0 0 N-CA-C 109.177 -0.675 . . . . 2.78 109.177 -179.21 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 24.6 m -130.59 132.41 45.51 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 121.283 0.563 . . . . 1.18 111.408 -173.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' TYR . . . . . 0.475 ' CE1' ' HE1' ' A' ' 129' ' ' MET . 3.8 m-30 -112.95 157.18 21.8 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 106.556 -1.646 . . . . 1.49 106.556 170.861 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . 0.473 ' O ' ' HA ' ' A' ' 127' ' ' MET . 32.5 mt-10 -125.19 138.2 54.13 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 108.485 -0.931 . . . . 1.53 108.485 179.241 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . 0.462 ' HB2' ' HB3' ' A' ' 100' ' ' LEU . 97.8 m-85 -103.52 86.31 2.62 Favored 'General case' 0 C--N 1.313 -1.018 0 CA-C-O 121.061 0.457 . . . . 1.0 109.862 177.706 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -113.08 138.97 49.13 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 108.539 -0.912 . . . . 3.96 108.539 177.128 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 13.7 mtp180 -104.15 140.79 37.3 Favored 'General case' 0 C--N 1.314 -0.967 0 C-N-CA 119.687 -0.805 . . . . 2.25 111.772 -175.26 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -92.85 -15.34 26.56 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 114.937 -1.029 . . . . 1.08 110.056 -178.745 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 145.62 -80.71 0.22 Allowed Glycine 0 N--CA 1.445 -0.722 0 N-CA-C 110.759 -0.937 . . . . 1.04 110.759 -177.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 -92.91 -21.17 19.99 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.065 0.46 . . . . 2.31 109.868 176.057 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . 0.664 ' CE2' ' HB3' ' A' ' 141' ' ' LYS . 95.6 m-85 -111.21 139.43 46.61 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-N 115.912 -0.586 . . . . 1.17 110.854 -175.715 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -84.21 127.45 33.95 Favored 'General case' 0 N--CA 1.439 -0.991 0 N-CA-C 106.896 -1.52 . . . . 1.66 106.896 170.075 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 38.9 t -110.09 108.92 26.62 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.05 0 N-CA-C 109.53 -0.544 . . . . 1.1 109.53 -176.183 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' MET . . . . . 0.473 ' HA ' ' O ' ' A' ' 117' ' ' GLU . 20.5 ttm -80.92 122.83 27.73 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 115.295 -0.866 . . . . 1.4 109.048 176.5 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . 0.441 ' HB3' ' HB2' ' A' ' 117' ' ' GLU . 41.0 tptt -109.66 112.47 24.56 Favored 'General case' 0 C--N 1.316 -0.872 0 N-CA-C 109.267 -0.642 . . . . 2.68 109.267 -175.719 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' MET . . . . . 0.596 ' HE2' ' CE1' ' A' ' 22' ' ' TYR . 30.7 mtp -121.63 125.0 45.66 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 109.118 -0.697 . . . . 1.66 109.118 -176.732 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 3.6 p -135.9 129.95 33.05 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.08 0.467 . . . . 1.5 111.65 -177.038 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 131' ' ' TRP . . . . . 0.551 ' CD1' ' HG2' ' A' ' 132' ' ' LYS . 52.9 t-105 -153.36 136.94 15.96 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.622 -0.717 . . . . 0.88 110.226 179.635 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . 0.551 ' HG2' ' CD1' ' A' ' 131' ' ' TRP . 75.7 mmtt 52.09 38.85 25.24 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 115.913 -0.585 . . . . 2.42 111.603 -177.458 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 81.88 -11.6 46.77 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 121.027 -0.606 . . . . 0.53 112.994 178.679 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 39.2 t -89.71 109.33 20.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 120.821 0.343 . . . . 1.13 110.393 -178.285 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -103.92 129.01 51.41 Favored 'General case' 0 N--CA 1.445 -0.692 0 CA-C-O 121.286 0.565 . . . . 1.64 111.248 177.782 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 136' ' ' THR . . . . . 0.505 ' CG2' ' HB2' ' A' ' 129' ' ' MET . 6.9 t -119.21 141.79 48.59 Favored 'General case' 0 C--N 1.312 -1.024 0 CA-C-N 115.226 -0.897 . . . . 1.1 109.99 179.123 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 12.1 m -116.73 116.38 27.41 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.874 -0.603 . . . . 1.06 109.641 179.452 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 138' ' ' ARG . . . . . 0.539 ' NH2' HD13 ' A' ' 13' ' ' LEU . 29.5 mtp180 -103.47 133.05 49.17 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.728 -0.471 . . . . 2.41 109.728 179.231 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 86.6 m-85 -106.31 113.03 26.32 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.243 0.544 . . . . 1.03 110.858 -173.306 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 63.4 m-85 -110.42 132.51 54.12 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.284 -0.871 . . . . 0.92 110.699 179.646 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 141' ' ' LYS . . . . . 0.664 ' HB3' ' CE2' ' A' ' 124' ' ' TYR . 0.0 OUTLIER -118.87 160.63 21.57 Favored 'General case' 0 C--O 1.212 -0.908 0 N-CA-C 107.396 -1.335 . . . . 2.41 107.396 172.682 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 142' ' ' LYS . . . . . 0.563 ' O ' ' HD3' ' A' ' 141' ' ' LYS . 86.5 tttt -41.74 153.17 0.06 Allowed 'General case' 0 N--CA 1.477 0.906 0 CA-C-N 118.43 0.559 . . . . 2.59 112.378 -177.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . 0.453 ' NE2' ' HB3' ' A' ' 12' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.026 0 O-C-N 120.598 -1.314 . . . . 1.74 111.029 168.819 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.8 m . . . . . 0 C--O 1.237 0.41 0 CA-C-O 120.79 0.329 . . . . 1.44 110.619 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.514 ' HB2' ' CZ ' ' A' ' 56' ' ' TYR . 1.0 OUTLIER -62.36 121.38 66.36 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 115.577 -0.738 . . . . 1.33 111.146 -175.413 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -56.82 124.35 16.04 Favored 'Trans proline' 0 N--CA 1.46 -0.483 0 C-N-CA 122.592 2.195 . . . . 0.81 110.727 172.329 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . 0.415 ' HA ' HD11 ' A' ' 8' ' ' LEU . 6.5 m-20 -50.42 -25.82 4.33 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 115.968 -0.56 . . . . 2.19 112.309 -178.566 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.454 ' HB3' ' HG3' ' A' ' 120' ' ' ARG . 74.5 mmtt -58.21 -25.64 61.87 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 112.153 0.427 . . . . 3.1 112.153 178.321 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.442 ' HZ ' ' C ' ' A' ' 98' ' ' ASN . 26.1 m-85 -94.21 -2.47 52.43 Favored 'General case' 0 C--O 1.226 -0.159 0 O-C-N 122.165 -0.335 . . . . 0.74 111.277 -178.692 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.415 HD11 ' HA ' ' A' ' 5' ' ' ASP . 97.5 mt -95.6 151.49 19.29 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.197 0.522 . . . . 1.12 111.422 -171.89 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 116.98 -176.18 16.08 Favored Glycine 0 N--CA 1.445 -0.747 0 CA-C-N 115.184 -0.917 . . . . 0.52 110.958 -176.62 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.496 HG22 ' HB2' ' A' ' 143' ' ' GLN . 14.7 t -114.06 141.12 47.86 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-O 121.142 0.496 . . . . 1.62 110.068 178.412 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.54 ' HA ' ' HA ' ' A' ' 142' ' ' LYS . 63.2 m-85 -129.73 130.77 45.87 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 115.771 -0.65 . . . . 0.57 111.637 -175.428 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.53 ' HG3' ' O ' ' A' ' 142' ' ' LYS . 0.0 OUTLIER -93.79 134.04 36.56 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-O 121.192 0.52 . . . . 2.65 109.905 169.011 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -57.12 123.46 15.33 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.224 -0.443 . . . . 1.79 110.43 177.494 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -99.1 -45.55 5.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.472 -0.331 . . . . 2.08 110.86 179.254 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 12.0 ptm180 -153.27 178.27 9.95 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.988 0.423 . . . . 3.92 111.06 179.383 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -153.15 153.12 32.15 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.638 -0.71 . . . . 1.19 109.751 -179.348 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 48.0 mm-40 -132.4 118.62 19.59 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.486 -0.324 . . . . 2.66 110.71 -178.267 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 5.3 t30 66.32 31.55 8.33 Favored 'General case' 0 N--CA 1.468 0.475 0 CA-C-O 122.02 0.914 . . . . 0.97 110.524 175.706 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.438 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 36.3 t80 -77.39 -40.49 43.55 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 114.987 -1.006 . . . . 0.64 110.229 -177.465 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -55.15 -53.43 56.04 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.118 -0.492 . . . . 2.04 110.371 175.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 22.9 mp0 -51.91 -45.92 64.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.604 -0.726 . . . . 1.79 111.45 176.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.612 ' CE1' ' HE1' ' A' ' 129' ' ' MET . 90.6 t80 -60.16 -37.65 80.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.506 -0.316 . . . . 1.12 111.392 179.025 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.438 ' HG ' ' O ' ' A' ' 19' ' ' PHE . 95.2 mt -63.77 -38.54 91.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.004 0.43 . . . . 1.13 110.083 -179.113 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.433 ' HG2' ' NH1' ' A' ' 33' ' ' ARG . 52.6 mtpt -66.2 -47.56 73.5 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.848 -0.615 . . . . 2.43 110.003 177.396 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -55.33 -44.99 76.39 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.412 -0.813 . . . . 1.2 111.37 178.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.406 ' HD2' ' HA ' ' A' ' 26' ' ' ARG . 11.1 mmm180 -71.83 -3.8 24.31 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.274 0.472 . . . . 1.71 112.274 -178.131 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 88.21 25.37 31.43 Favored Glycine 0 N--CA 1.444 -0.817 0 C-N-CA 120.485 -0.864 . . . . 0.62 112.581 176.37 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.401 ' HB2' ' O ' ' A' ' 23' ' ' LEU . 67.9 m-85 -89.2 123.99 33.95 Favored 'General case' 0 N--CA 1.448 -0.529 0 N-CA-C 109.316 -0.624 . . . . 0.99 109.316 173.647 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -77.46 -175.31 42.96 Favored Glycine 0 N--CA 1.444 -0.776 0 C-N-CA 120.515 -0.85 . . . . 1.54 111.003 178.682 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 78.0 t90 -54.4 -41.65 69.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 117.07 0.435 . . . . 1.31 111.006 -178.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.578 HD12 ' N ' ' A' ' 31' ' ' ILE . 2.1 mp -57.6 -54.65 28.51 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.527 0 CA-C-O 120.981 0.42 . . . . 2.68 110.383 -174.296 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.38 -44.87 81.92 Favored 'General case' 0 N--CA 1.437 -1.076 0 CA-C-N 115.605 -0.725 . . . . 1.16 110.578 179.192 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.433 ' NH1' ' HG2' ' A' ' 24' ' ' LYS . 32.3 ttp180 -58.82 -31.52 68.55 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.25 -0.432 . . . . 2.48 110.645 -178.192 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.519 ' O ' HD23 ' A' ' 38' ' ' LEU . 0.8 OUTLIER -72.17 -49.62 34.19 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.86 -0.609 . . . . 2.4 109.753 177.077 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 55.6 t -68.25 -53.47 28.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.09 -0.504 . . . . 1.33 111.235 -174.589 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 94.0 mt -46.7 -40.88 4.83 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 114.917 -1.038 . . . . 1.25 113.53 179.336 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 50.8 mtmt -80.63 -12.17 59.54 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 120.671 -0.412 . . . . 1.62 111.722 -178.205 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.519 HD23 ' O ' ' A' ' 34' ' ' GLN . 4.1 mm? -91.19 7.7 39.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.231 0.538 . . . . 2.6 110.372 174.764 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.582 ' HA ' ' OG1' ' A' ' 63' ' ' THR . . . -103.55 108.33 19.55 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.839 -0.619 . . . . 1.15 111.324 -179.309 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.62 ' O ' ' HA ' ' A' ' 62' ' ' THR . . . -70.88 134.23 23.45 Favored Glycine 0 N--CA 1.449 -0.433 0 N-CA-C 110.412 -1.075 . . . . 0.84 110.412 171.685 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 41.0 t -114.9 126.94 72.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-O 120.989 0.424 . . . . 1.88 111.8 -170.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 53.7 m -116.22 119.06 34.54 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.678 -0.692 . . . . 1.13 110.754 176.253 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -92.39 144.62 25.19 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.692 -0.485 . . . . 1.45 109.692 176.672 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.508 ' O ' ' HA ' ' A' ' 58' ' ' MET . 68.2 mttm -140.09 102.01 4.29 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.595 0.236 . . . . 2.46 110.814 178.889 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 89.0 m-85 -105.64 129.92 53.78 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.829 -0.434 . . . . 0.63 109.829 177.24 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 39.1 ptt180 -159.8 172.87 16.89 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 120.89 0.376 . . . . 3.72 110.931 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 50.1 m-80 -65.39 154.04 39.55 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 108.77 -0.826 . . . . 1.9 108.77 172.484 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.408 ' HA ' ' HB2' ' A' ' 57' ' ' ASP . . . -51.91 131.19 30.91 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-O 121.139 0.495 . . . . 1.18 111.277 -176.071 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.17 -29.96 70.35 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 114.922 -1.035 . . . . 1.94 111.133 -172.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 35.2 p -64.1 -4.34 3.45 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 112.832 0.678 . . . . 2.82 112.832 175.128 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 75.53 18.97 79.64 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.7 -0.762 . . . . 1.96 112.421 -176.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 50.6 mtpt -90.02 134.85 30.94 Favored Pre-proline 0 C--N 1.326 -0.437 0 CA-C-O 120.68 0.276 . . . . 3.54 110.583 179.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -75.65 152.3 37.66 Favored 'Trans proline' 0 C--O 1.236 0.41 0 C-N-CA 122.977 2.451 . . . . 2.1 112.283 -178.509 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 35.1 t70 83.9 -53.13 0.14 Allowed 'General case' 0 N--CA 1.469 0.48 0 O-C-N 124.187 0.929 . . . . 2.44 109.374 176.101 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.402 ' HD3' ' OD1' ' A' ' 71' ' ' ASP . 69.6 mtt180 -61.68 149.17 40.32 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.026 -0.988 . . . . 4.72 111.93 172.35 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.514 ' CZ ' ' HB2' ' A' ' 3' ' ' LEU . 80.2 m-85 -125.63 174.34 8.34 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.657 -0.701 . . . . 1.39 110.13 174.818 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.441 ' CG ' ' HE2' ' A' ' 68' ' ' HIS . 30.0 t70 -132.17 135.86 46.66 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.441 -0.577 . . . . 1.1 109.441 -178.66 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.508 ' HA ' ' O ' ' A' ' 44' ' ' LYS . 10.9 tpt -138.79 132.31 30.42 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 120.584 0.231 . . . . 1.22 111.27 -174.025 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -130.72 145.63 51.99 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.048 0.451 . . . . 1.77 111.613 -179.109 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.521 ' HB2' ' HG1' ' A' ' 67' ' ' THR . 27.7 m-80 -126.45 106.1 9.23 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 115.661 -0.699 . . . . 1.55 109.265 176.423 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 92.1 mt -100.99 136.13 41.32 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.514 -0.312 . . . . 2.22 110.368 178.149 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.62 ' HA ' ' O ' ' A' ' 40' ' ' GLY . 48.2 p -137.74 -173.31 3.46 Favored 'General case' 0 N--CA 1.447 -0.591 0 N-CA-C 108.886 -0.783 . . . . 1.16 108.886 178.783 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.582 ' OG1' ' HA ' ' A' ' 39' ' ' ALA . 52.7 p -93.23 -7.94 43.7 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.057 0.456 . . . . 1.14 111.139 -179.004 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 47.7 mmtm -124.63 -12.45 7.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.299 -0.409 . . . . 2.64 111.968 -177.258 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.409 ' HB3' ' H ' ' A' ' 66' ' ' ASP . 0.0 OUTLIER -140.76 -156.15 0.65 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.917 0.389 . . . . 2.34 111.354 -176.867 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.409 ' H ' ' HB3' ' A' ' 65' ' ' LYS . 5.8 p-10 168.07 114.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 114.91 -1.041 . . . . 2.12 109.626 -172.124 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.521 ' HG1' ' HB2' ' A' ' 60' ' ' ASN . 51.7 p -135.21 143.76 46.57 Favored 'General case' 0 C--N 1.315 -0.912 0 N-CA-C 109.724 -0.473 . . . . 1.17 109.724 -177.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.441 ' HE2' ' CG ' ' A' ' 57' ' ' ASP . 3.4 t60 -146.77 100.43 3.32 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.375 0.607 . . . . 2.5 111.014 -177.299 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 25.4 m-70 -79.98 88.82 5.33 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.66 -0.7 . . . . 0.48 109.55 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.41 ' HE2' ' CD2' ' A' ' 68' ' ' HIS . 0.0 OUTLIER -76.5 123.87 26.7 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 112.043 0.386 . . . . 2.79 112.043 179.073 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.402 ' OD1' ' HD3' ' A' ' 55' ' ' ARG . 0.7 OUTLIER 66.33 64.77 0.5 Allowed 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 115.411 -0.813 . . . . 2.07 112.213 170.781 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 68.5 p-90 -109.91 147.13 33.98 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 110.072 -0.344 . . . . 0.51 110.072 176.548 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -118.39 147.68 43.29 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.602 0.239 . . . . 1.22 110.772 178.336 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.429 HD23 ' HG ' ' A' ' 3' ' ' LEU . 3.0 mm? -55.42 128.29 33.62 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.092 0.472 . . . . 2.28 111.202 172.519 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 83.68 13.12 76.33 Favored Glycine 0 N--CA 1.445 -0.759 0 CA-C-N 115.409 -0.814 . . . . 0.66 112.289 -178.793 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -105.84 151.26 24.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.292 0.567 . . . . 2.37 111.185 -178.598 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.404 ' HG3' ' HG1' ' A' ' 91' ' ' THR . 41.7 tt0 -127.16 116.29 20.42 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.14 -0.936 . . . . 1.4 109.309 -178.439 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 44.0 p90 -136.4 159.44 41.76 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 116.356 -0.384 . . . . 0.69 110.186 -175.063 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 24.6 tt0 -95.75 136.15 36.54 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.132 -0.692 . . . . 2.38 109.132 177.289 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . 0.43 ' O ' ' HA ' ' A' ' 87' ' ' GLN . 23.2 t70 -159.76 166.04 31.24 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 120.841 -0.344 . . . . 1.26 110.349 -175.1 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.489 ' CB ' ' HG2' ' A' ' 87' ' ' GLN . 33.3 tt0 -89.06 111.18 21.86 Favored 'General case' 0 CA--C 1.512 -0.513 0 N-CA-C 109.508 -0.553 . . . . 2.26 109.508 -178.903 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.469 ' HB1' ' OD1' ' A' ' 84' ' ' ASP . . . -94.54 176.45 6.28 Favored 'General case' 0 C--N 1.308 -1.196 0 CA-C-N 115.112 -0.949 . . . . 1.61 112.883 -176.483 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -55.68 -29.34 59.19 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.285 -0.416 . . . . 1.98 111.236 -178.47 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.469 ' OD1' ' HB1' ' A' ' 82' ' ' ALA . 14.3 p-10 -78.75 22.05 0.38 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.333 -0.394 . . . . 1.55 111.618 -177.442 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 15.8 m 76.15 -24.13 0.23 Allowed 'General case' 0 N--CA 1.466 0.367 0 N-CA-C 113.228 0.825 . . . . 1.68 113.228 166.663 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 22.9 p -95.61 169.22 10.18 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.145 0.498 . . . . 1.5 111.039 -179.461 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . 0.489 ' HG2' ' CB ' ' A' ' 81' ' ' GLU . 16.3 mt-30 -113.86 119.03 35.9 Favored 'General case' 0 N--CA 1.44 -0.962 0 N-CA-C 108.456 -0.942 . . . . 1.88 108.456 177.365 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . 0.625 ' CE1' ' HB3' ' A' ' 104' ' ' HIS . 6.1 p80 -146.45 176.79 9.54 Favored 'General case' 0 C--N 1.309 -1.186 0 CA-C-N 115.835 -0.62 . . . . 1.51 111.59 -170.074 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.421 ' HB3' ' HB ' ' A' ' 105' ' ' ILE . 40.6 ttmt -61.86 131.5 49.98 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 114.974 -1.012 . . . . 1.95 110.305 178.69 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.423 HD13 ' HB2' ' A' ' 82' ' ' ALA . 71.3 mt -137.8 133.35 44.98 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.82 0 CA-C-N 115.917 -0.583 . . . . 1.19 110.223 178.903 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.404 ' HG1' ' HG3' ' A' ' 77' ' ' GLU . 46.2 m -118.24 129.11 55.29 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 116.312 -0.403 . . . . 1.12 110.596 176.652 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -105.72 123.05 47.31 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 108.417 -0.957 . . . . 0.81 108.417 173.242 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -154.24 147.61 24.96 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-O 120.626 0.251 . . . . 1.69 110.485 -171.541 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 1.2 mt -92.12 116.1 28.64 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.287 -0.634 . . . . 1.81 109.287 173.585 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 44.5 tttm -83.53 -44.8 14.27 Favored 'General case' 0 C--N 1.317 -0.808 0 N-CA-C 108.342 -0.984 . . . . 3.48 108.342 -178.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . 0.423 ' C ' ' H ' ' A' ' 98' ' ' ASN . 8.1 m-20 -126.23 163.76 38.04 Favored Pre-proline 0 C--N 1.319 -0.752 0 N-CA-C 107.31 -1.367 . . . . 1.79 107.31 173.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 16.3 Cg_exo -69.18 4.87 1.7 Allowed 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.871 2.381 . . . . 1.07 112.141 -177.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . 0.442 ' C ' ' HZ ' ' A' ' 7' ' ' PHE . 26.1 p-10 -145.96 27.39 1.18 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.594 -0.73 . . . . 2.63 110.243 -179.593 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 60.2 m -151.91 110.0 3.71 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.131 0.491 . . . . 1.26 111.139 178.248 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.403 HD22 ' H ' ' A' ' 101' ' ' THR . 0.8 OUTLIER -84.01 144.42 29.13 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.166 -1.05 . . . . 1.78 108.166 174.848 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' THR . . . . . 0.403 ' H ' HD22 ' A' ' 100' ' ' LEU . 6.7 p -126.74 134.36 50.65 Favored 'General case' 0 C--N 1.319 -0.752 0 O-C-N 121.632 -0.668 . . . . 1.11 111.079 177.248 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -115.33 100.56 8.2 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.994 -0.743 . . . . 1.31 108.994 177.013 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 38.5 m -96.42 121.14 37.91 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.419 -0.355 . . . . 1.12 110.387 -175.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' HIS . . . . . 0.625 ' HB3' ' CE1' ' A' ' 88' ' ' HIS . 1.7 m80 -106.74 121.66 44.82 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.561 -0.29 . . . . 2.22 110.547 -178.063 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.585 ' O ' ' HB2' ' A' ' 88' ' ' HIS . 22.4 mt -116.27 112.32 39.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-O 121.061 0.457 . . . . 1.36 109.931 173.34 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . 0.497 ' HA ' ' CB ' ' A' ' 88' ' ' HIS . 55.1 mttm -63.79 128.76 37.27 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.542 -0.754 . . . . 2.12 111.365 -178.221 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . 0.535 ' CG1' ' HA ' ' A' ' 88' ' ' HIS . 29.3 m -58.1 -32.95 45.37 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.305 0 CA-C-N 114.418 -1.264 . . . . 2.03 111.189 179.644 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -84.2 -56.46 3.64 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.299 -0.864 . . . . 2.5 110.358 -178.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . 0.44 ' O ' ' HB2' ' A' ' 106' ' ' LYS . 59.2 m-20 -118.72 92.08 43.61 Favored Pre-proline 0 CA--C 1.517 -0.324 0 CA-C-O 121.181 0.515 . . . . 2.39 110.996 178.888 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . 0.404 ' HD2' ' HA ' ' A' ' 109' ' ' ASP . 57.4 Cg_endo -71.54 -5.69 17.58 Favored 'Trans proline' 0 N--CA 1.462 -0.37 0 C-N-CA 122.983 2.456 . . . . 0.91 111.207 175.303 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 25.7 p -79.63 -25.33 41.43 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-N 115.05 -0.977 . . . . 1.91 110.446 175.589 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . 0.468 ' OD1' ' HE3' ' A' ' 106' ' ' LYS . 34.6 t70 -106.29 58.88 0.65 Allowed 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.52 0.676 . . . . 1.59 110.247 -178.749 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 13.2 m -67.94 179.29 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.543 -0.753 . . . . 2.17 111.993 176.466 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 59.5 tt0 -171.39 141.2 1.52 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.65 -0.705 . . . . 2.78 109.348 177.179 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 87.5 m -137.25 133.91 35.6 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.248 0.546 . . . . 1.18 111.893 -176.412 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' TYR . . . . . 0.621 ' CE1' ' HE3' ' A' ' 129' ' ' MET . 6.2 m-30 -108.18 160.49 15.78 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 107.219 -1.401 . . . . 1.49 107.219 171.886 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . 0.577 ' O ' ' HA ' ' A' ' 127' ' ' MET . 11.4 pt-20 -141.63 138.42 32.54 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 118.997 0.817 . . . . 1.53 109.517 177.03 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 95.7 m-85 -108.69 108.51 19.39 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.915 -176.285 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 12.9 ptm180 -118.12 169.11 9.95 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.991 -0.374 . . . . 3.96 109.991 175.015 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . 0.454 ' HG3' ' HB3' ' A' ' 6' ' ' LYS . 6.5 mmm180 -117.96 106.97 13.49 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 120.934 0.397 . . . . 2.25 111.702 -179.113 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -114.64 97.45 6.29 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.002 -0.544 . . . . 1.08 109.778 179.213 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 80.68 -127.22 7.8 Favored Glycine 0 N--CA 1.445 -0.719 0 C-N-CA 120.901 -0.666 . . . . 1.04 111.807 -178.318 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 37.3 m-20 -102.49 14.23 32.49 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.798 0.332 . . . . 2.31 110.845 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . 0.503 ' HH ' ' HZ3' ' A' ' 141' ' ' LYS . 71.4 m-85 -122.03 141.85 50.94 Favored 'General case' 0 CA--C 1.51 -0.585 0 CA-C-N 116.313 -0.403 . . . . 1.17 110.498 -176.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 28.8 tp -81.31 121.69 26.5 Favored 'General case' 0 N--CA 1.439 -1.014 0 N-CA-C 107.369 -1.345 . . . . 1.66 107.369 171.088 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 46.5 t -113.62 114.92 48.21 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.071 0 CA-C-O 121.54 0.686 . . . . 1.1 109.984 -172.731 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' MET . . . . . 0.577 ' HA ' ' O ' ' A' ' 117' ' ' GLU . 9.6 ttm -95.7 142.68 27.71 Favored 'General case' 0 C--N 1.309 -1.153 0 CA-C-N 114.785 -1.098 . . . . 1.4 109.682 178.226 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . 0.522 ' HB3' ' CG ' ' A' ' 117' ' ' GLU . 59.1 tttp -122.59 132.68 54.41 Favored 'General case' 0 C--N 1.312 -1.056 0 N-CA-C 108.853 -0.795 . . . . 2.68 108.853 175.75 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' MET . . . . . 0.621 ' HE3' ' CE1' ' A' ' 116' ' ' TYR . 43.1 mtp -128.61 121.42 28.63 Favored 'General case' 0 C--N 1.317 -0.821 0 N-CA-C 107.815 -1.18 . . . . 1.66 107.815 179.016 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 1.6 m -132.95 137.1 46.47 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 120.389 -0.524 . . . . 1.5 111.713 -174.289 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 131' ' ' TRP . . . . . 0.474 ' CD1' ' HG3' ' A' ' 132' ' ' LYS . 61.6 t-105 -150.36 127.46 11.22 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.453 -0.794 . . . . 0.88 109.99 177.633 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . 0.474 ' HG3' ' CD1' ' A' ' 131' ' ' TRP . 56.8 mtmt 54.68 39.07 31.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.963 -0.562 . . . . 2.42 111.595 -176.47 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 82.72 -31.25 3.05 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.84 -0.695 . . . . 0.53 112.74 -178.62 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 61.1 t -68.98 123.02 21.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 N-CA-C 109.832 -0.432 . . . . 1.13 109.832 178.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 22.5 t -131.75 161.61 32.45 Favored 'General case' 0 N--CA 1.444 -0.755 0 CA-C-O 121.696 0.76 . . . . 1.64 111.438 -176.235 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 136' ' ' THR . . . . . 0.442 ' CG2' ' HB2' ' A' ' 129' ' ' MET . 4.3 t -138.42 139.88 39.09 Favored 'General case' 0 C--N 1.309 -1.159 0 CA-C-N 114.357 -1.292 . . . . 1.1 110.317 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 3.3 m -106.09 116.71 32.41 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.078 -0.51 . . . . 1.06 109.683 177.238 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 138' ' ' ARG . . . . . 0.818 HH21 ' HH ' ' A' ' 140' ' ' TYR . 20.4 mmm180 -99.97 115.2 29.13 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 115.6 -0.727 . . . . 2.41 109.607 -178.128 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 92.6 m-85 -95.79 105.7 17.74 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.178 0.513 . . . . 1.03 110.854 -177.212 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 140' ' ' TYR . . . . . 0.818 ' HH ' HH21 ' A' ' 138' ' ' ARG . 76.3 m-85 -100.7 119.12 38.13 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 115.534 -0.757 . . . . 0.92 111.305 -178.459 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 141' ' ' LYS . . . . . 0.503 ' HZ3' ' HH ' ' A' ' 124' ' ' TYR . 2.4 tppp? -95.62 147.84 23.16 Favored 'General case' 0 N--CA 1.432 -1.352 0 N-CA-C 107.007 -1.479 . . . . 2.41 107.007 176.652 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 142' ' ' LYS . . . . . 0.54 ' HA ' ' HA ' ' A' ' 11' ' ' PHE . 56.3 mtpt -48.71 163.59 0.08 Allowed 'General case' 0 N--CA 1.475 0.776 0 CA-C-N 119.467 1.03 . . . . 2.59 111.901 175.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . 0.527 ' NE2' ' HB3' ' A' ' 12' ' ' LYS . 40.3 mm-40 . . . . . 0 C--O 1.25 1.124 0 O-C-N 121.216 -0.927 . . . . 1.74 110.416 164.032 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.449 -0.501 0 N-CA-C 110.165 -0.309 . . . . 1.44 110.165 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.461 ' HB2' ' CE1' ' A' ' 56' ' ' TYR . 0.9 OUTLIER -57.06 122.34 52.71 Favored Pre-proline 0 C--N 1.325 -0.487 0 CA-C-N 115.857 -0.61 . . . . 1.33 110.856 -179.42 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_exo -56.02 127.04 24.41 Favored 'Trans proline' 0 N--CA 1.463 -0.323 0 C-N-CA 122.792 2.328 . . . . 0.81 111.035 173.04 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -56.16 -23.97 38.28 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.188 -0.46 . . . . 2.19 112.206 -176.682 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 15.5 pttm -67.98 -11.46 58.9 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.352 0.501 . . . . 3.1 112.352 177.16 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.438 ' CE1' ' HG2' ' A' ' 120' ' ' ARG . 22.7 m-85 -95.49 -5.31 43.21 Favored 'General case' 0 CA--C 1.519 -0.228 0 O-C-N 121.839 -0.538 . . . . 0.74 110.481 175.62 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.436 HD23 ' HB3' ' A' ' 45' ' ' PHE . 78.4 mt -97.52 145.59 26.07 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.159 0.504 . . . . 1.12 111.036 -171.449 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 133.82 172.81 13.01 Favored Glycine 0 N--CA 1.449 -0.497 0 CA-C-N 115.255 -0.884 . . . . 0.52 111.59 -176.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 14.6 m -102.41 122.84 45.1 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.605 -0.517 . . . . 1.62 109.605 175.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.427 ' HA ' ' HA ' ' A' ' 142' ' ' LYS . 79.3 m-85 -116.76 134.64 54.55 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 112.234 0.457 . . . . 0.57 112.234 -172.714 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.677 ' HB3' ' NE2' ' A' ' 143' ' ' GLN . 19.7 ptpt -88.46 -161.29 0.72 Allowed 'General case' 0 N--CA 1.466 0.366 0 C-N-CA 120.49 -0.484 . . . . 2.65 109.79 165.126 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.454 HD13 ' CE1' ' A' ' 140' ' ' TYR . 7.2 tt -138.59 127.01 23.1 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 108.559 -0.904 . . . . 1.79 108.559 -174.854 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -99.04 -48.49 4.85 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 121.104 -0.239 . . . . 2.08 111.444 -175.752 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 15.0 ptm180 -157.56 -173.65 4.5 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.967 0.413 . . . . 3.92 111.185 -176.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -167.06 161.82 15.05 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.565 -0.743 . . . . 1.19 109.513 -177.674 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 59.2 mm-40 -140.36 134.89 31.54 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 123.133 0.27 . . . . 2.66 111.023 -175.544 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 57.1 t30 67.83 25.66 7.84 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-O 121.74 0.781 . . . . 0.97 111.234 173.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 24.3 t80 -74.63 -41.47 60.31 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.443 -0.799 . . . . 0.64 111.117 -173.587 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.415 ' CG ' ' HZ2' ' A' ' 37' ' ' LYS . 3.8 m-20 -54.31 -55.29 29.79 Favored 'General case' 0 CA--C 1.516 -0.341 0 CA-C-O 120.582 0.229 . . . . 2.04 111.243 176.819 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -56.96 -37.71 71.96 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.036 -0.529 . . . . 1.79 111.174 -178.684 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.546 ' CE1' ' HE1' ' A' ' 129' ' ' MET . 53.6 t80 -61.91 -43.21 99.32 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 120.824 -0.35 . . . . 1.12 110.943 174.127 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 94.6 mt -63.34 -41.86 98.91 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.98 0.419 . . . . 1.13 110.298 -178.42 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -65.08 -43.33 92.48 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.7 -0.682 . . . . 2.43 110.2 179.637 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.44 -39.68 76.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.657 -0.701 . . . . 1.2 111.014 175.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.462 ' NH1' ' HB2' ' A' ' 114' ' ' GLU . 12.5 mmm180 -69.91 -17.77 63.35 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.712 -0.677 . . . . 1.71 111.267 178.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 96.93 12.01 51.25 Favored Glycine 0 N--CA 1.446 -0.694 0 C-N-CA 120.781 -0.723 . . . . 0.62 112.393 -179.709 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 58.1 m-85 -73.91 123.51 24.39 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.937 0.399 . . . . 0.99 110.17 178.735 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -77.38 -173.69 39.93 Favored Glycine 0 N--CA 1.443 -0.875 0 C-N-CA 120.732 -0.746 . . . . 1.54 112.343 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.573 ' O ' ' HG2' ' A' ' 34' ' ' GLN . 83.8 t90 -54.95 -51.34 66.45 Favored 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 122.465 0.306 . . . . 1.31 111.566 -176.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 1.3 mm -54.36 -52.07 42.76 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.208 0 CA-C-O 120.823 0.344 . . . . 2.68 111.772 -178.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.8 -44.89 82.39 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.147 -0.479 . . . . 1.16 110.71 179.513 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 47.5 mtm105 -63.68 -25.84 68.39 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 121.096 -0.242 . . . . 2.48 111.105 179.236 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.69 ' O ' HD23 ' A' ' 38' ' ' LEU . 26.1 mm-40 -76.67 -39.19 52.96 Favored 'General case' 0 C--O 1.223 -0.295 0 CA-C-O 120.796 0.331 . . . . 2.4 110.629 178.366 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.471 ' CG1' ' HG2' ' A' ' 64' ' ' LYS . 70.6 t -75.92 -63.77 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-O 121.149 0.5 . . . . 1.33 110.97 -179.191 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 83.8 mt -42.74 -45.76 1.18 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.445 0 C-N-CA 124.45 1.1 . . . . 1.25 113.685 -179.202 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.415 ' HZ2' ' CG ' ' A' ' 20' ' ' ASP . 46.4 mtmt -78.42 -23.44 46.68 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.524 0.565 . . . . 1.62 112.524 -174.309 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.69 HD23 ' O ' ' A' ' 34' ' ' GLN . 4.6 mm? -85.79 -28.15 24.72 Favored 'General case' 0 C--N 1.321 -0.667 0 C-N-CA 120.762 -0.375 . . . . 2.6 111.038 -177.059 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.487 ' HA ' ' OG1' ' A' ' 63' ' ' THR . . . -65.64 122.76 17.99 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.087 -0.506 . . . . 1.15 111.166 176.506 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.407 ' O ' ' HA ' ' A' ' 62' ' ' THR . . . -76.11 150.96 39.79 Favored Glycine 0 N--CA 1.448 -0.517 0 N-CA-C 110.543 -1.023 . . . . 0.84 110.543 174.237 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.43 ' HA ' HG21 ' A' ' 62' ' ' THR . 40.9 t -124.7 126.83 72.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 117.376 0.588 . . . . 1.88 111.939 -173.254 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 23.2 m -116.24 113.45 23.04 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.319 -0.855 . . . . 1.13 109.691 174.526 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.484 ' HE2' ' CE ' ' A' ' 127' ' ' MET . 49.1 mttp -109.22 139.46 44.11 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.978 -0.379 . . . . 1.45 109.978 178.7 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 15.8 ptmt -140.9 134.8 30.55 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-O 121.135 0.493 . . . . 2.46 111.529 -175.382 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.436 ' HB3' HD23 ' A' ' 8' ' ' LEU . 59.5 m-85 -121.22 140.53 51.9 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.071 -0.968 . . . . 0.63 109.53 176.146 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 36.7 ptt180 -164.98 173.92 11.05 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 116.313 -0.403 . . . . 3.72 110.564 -176.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 19.0 m120 -64.33 160.49 18.75 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.536 -0.756 . . . . 1.9 108.986 171.316 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -48.7 146.36 3.16 Favored 'General case' 0 N--CA 1.464 0.27 0 N-CA-C 112.388 0.514 . . . . 1.18 112.388 -174.616 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -43.05 -64.07 0.69 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.558 -0.746 . . . . 1.94 112.57 -176.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 65.2 m -63.01 -40.24 97.17 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.826 0.822 . . . . 2.82 109.879 177.681 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 122.15 31.0 1.13 Allowed Glycine 0 N--CA 1.446 -0.658 0 CA-C-N 114.963 -1.017 . . . . 1.96 112.057 176.654 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 29.3 mtpp -69.07 143.11 93.88 Favored Pre-proline 0 C--N 1.323 -0.56 0 N-CA-C 109.577 -0.527 . . . . 3.54 109.577 177.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.5 ' O ' ' HB3' ' A' ' 54' ' ' ASP . 87.9 Cg_endo -76.31 142.56 24.15 Favored 'Trans proline' 0 C--O 1.239 0.563 0 C-N-CA 122.509 2.139 . . . . 2.1 111.665 179.625 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.5 ' HB3' ' O ' ' A' ' 53' ' ' PRO . 21.9 t70 83.49 -52.88 0.15 Allowed 'General case' 0 N--CA 1.465 0.279 0 O-C-N 124.302 1.002 . . . . 2.44 109.395 178.237 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 14.6 mmm180 -64.32 135.95 56.69 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.745 -0.661 . . . . 4.72 110.977 172.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.461 ' CE1' ' HB2' ' A' ' 3' ' ' LEU . 57.0 m-85 -116.88 176.94 4.89 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 115.75 -0.659 . . . . 1.39 110.72 179.816 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -135.32 139.24 44.16 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.52 -0.548 . . . . 1.1 109.52 179.291 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 1.6 tmt? -142.16 141.84 32.67 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.229 -0.656 . . . . 1.22 109.229 -178.403 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 50.0 tt0 -144.35 148.83 35.23 Favored 'General case' 0 C--N 1.322 -0.598 0 C-N-CA 120.568 -0.453 . . . . 1.77 111.977 -174.324 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.461 ' OD1' ' HG2' ' A' ' 43' ' ' LYS . 43.4 m-80 -123.84 109.01 13.1 Favored 'General case' 0 CA--C 1.515 -0.385 0 CA-C-N 115.395 -0.821 . . . . 1.55 109.865 179.371 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 80.6 mt -108.72 124.99 51.43 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 110.069 -0.345 . . . . 2.22 110.069 177.172 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.43 HG21 ' HA ' ' A' ' 41' ' ' VAL . 42.6 p -131.21 -175.65 3.76 Favored 'General case' 0 N--CA 1.445 -0.701 0 N-CA-C 109.077 -0.712 . . . . 1.16 109.077 -179.595 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.487 ' OG1' ' HA ' ' A' ' 39' ' ' ALA . 25.0 p -84.16 -27.68 27.93 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-O 121.245 0.545 . . . . 1.14 110.721 179.622 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.471 ' HG2' ' CG1' ' A' ' 35' ' ' VAL . 23.4 tptp -105.21 -22.0 13.15 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.805 -0.634 . . . . 2.64 111.249 -173.026 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.437 ' HB3' ' H ' ' A' ' 66' ' ' ASP . 57.1 mmtt -142.14 -157.43 0.77 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.862 0.363 . . . . 2.34 111.543 -172.155 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.437 ' H ' ' HB3' ' A' ' 65' ' ' LYS . 6.1 p-10 168.17 132.4 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.141 -0.936 . . . . 2.12 109.488 -170.55 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.457 ' OG1' ' HB2' ' A' ' 60' ' ' ASN . 71.9 p -142.62 154.87 44.78 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 108.971 -0.752 . . . . 1.17 108.971 173.673 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 8.8 t-160 -142.61 99.34 3.47 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.035 0.445 . . . . 2.5 110.473 -178.392 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.462 ' CD2' ' HZ ' ' A' ' 92' ' ' PHE . 31.6 m-70 -77.11 84.55 3.6 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 108.659 -0.867 . . . . 0.48 108.659 175.149 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 11.5 ptpt -80.24 123.27 27.8 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.015 -0.539 . . . . 2.79 112.355 -175.344 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.451 ' HA ' ' O ' ' A' ' 56' ' ' TYR . 6.5 p-10 46.91 69.56 0.48 Allowed 'General case' 0 N--CA 1.472 0.67 0 CA-C-N 114.585 -1.189 . . . . 2.07 112.619 175.115 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 62.9 p-90 -104.8 150.44 24.79 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.09 -0.959 . . . . 0.51 109.785 176.175 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.473 ' HB3' ' HB2' ' A' ' 76' ' ' GLU . . . -100.15 142.02 32.2 Favored 'General case' 0 C--N 1.314 -0.943 0 N-CA-C 109.776 -0.453 . . . . 1.22 109.776 174.34 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.514 HD11 HD23 ' A' ' 94' ' ' LEU . 1.8 tt -64.46 117.22 7.0 Favored 'General case' 0 C--N 1.315 -0.907 0 N-CA-C 109.39 -0.596 . . . . 2.28 109.39 172.148 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 96.43 19.8 26.76 Favored Glycine 0 N--CA 1.451 -0.362 0 CA-C-N 115.884 -0.598 . . . . 0.66 112.15 -170.17 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.473 ' HB2' ' HB3' ' A' ' 73' ' ' ALA . 10.5 tp10 -107.44 154.02 21.96 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-O 120.981 0.419 . . . . 2.37 110.771 179.489 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.457 ' HA ' ' O ' ' A' ' 90' ' ' ILE . 43.1 tt0 -128.38 108.63 10.73 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.33 -0.85 . . . . 1.4 108.853 177.715 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 53.9 p90 -131.09 159.39 37.74 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.511 -0.313 . . . . 0.69 110.45 -174.239 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 24.2 tt0 -90.44 152.09 21.12 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.429 -0.582 . . . . 2.38 109.429 176.281 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . 0.438 ' O ' ' HA ' ' A' ' 87' ' ' GLN . 10.0 t0 -159.57 174.08 15.15 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.098 -0.705 . . . . 1.26 109.098 -173.836 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.479 ' HB3' ' NE2' ' A' ' 87' ' ' GLN . 9.9 pt-20 -115.7 104.22 11.46 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.859 0.838 . . . . 2.26 109.223 176.44 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -87.26 179.06 6.69 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 114.399 -1.273 . . . . 1.61 113.069 -167.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.484 ' H ' HD23 ' A' ' 83' ' ' LEU . 2.8 mm? -56.45 -29.81 62.13 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 121.17 0.51 . . . . 1.98 110.249 -179.726 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -76.46 10.68 1.94 Allowed 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.128 -0.942 . . . . 1.55 112.498 -174.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 24.9 m 74.57 0.76 3.66 Favored 'General case' 0 N--CA 1.467 0.407 0 N-CA-C 113.486 0.921 . . . . 1.68 113.486 169.312 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 52.5 p -120.33 168.99 10.71 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 119.928 -0.709 . . . . 1.5 111.539 177.336 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . 0.479 ' NE2' ' HB3' ' A' ' 81' ' ' GLU . 0.2 OUTLIER -98.79 127.95 44.87 Favored 'General case' 0 CA--C 1.511 -0.543 0 N-CA-C 108.564 -0.902 . . . . 1.88 108.564 -178.485 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . 0.591 ' CB ' ' HA ' ' A' ' 106' ' ' LYS . 12.6 p80 -154.59 170.68 20.92 Favored 'General case' 0 C--N 1.32 -0.696 0 C-N-CA 120.713 -0.395 . . . . 1.51 111.641 177.173 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.514 ' CG ' ' HB ' ' A' ' 105' ' ' ILE . 6.1 ptpp? -77.62 150.9 34.57 Favored 'General case' 0 N--CA 1.45 -0.425 0 CA-C-N 115.637 -0.711 . . . . 1.95 110.327 -176.673 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.457 ' O ' ' HA ' ' A' ' 77' ' ' GLU . 61.7 mt -142.77 137.56 27.67 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.804 0 CA-C-N 115.442 -0.799 . . . . 1.19 110.367 -176.829 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.447 ' HA ' ' O ' ' A' ' 76' ' ' GLU . 72.8 m -128.5 140.22 51.92 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.785 0.326 . . . . 1.12 111.256 179.818 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.462 ' HZ ' ' CD2' ' A' ' 69' ' ' HIS . 48.5 m-85 -113.12 137.98 50.63 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.059 -0.719 . . . . 0.81 109.059 175.861 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -158.56 146.2 18.0 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.915 0.388 . . . . 1.69 111.321 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.514 HD23 HD11 ' A' ' 74' ' ' LEU . 0.8 OUTLIER -94.51 117.29 29.9 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.141 -0.688 . . . . 1.81 109.141 175.687 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 23.4 ttmm -91.02 -58.52 2.44 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 108.993 -0.743 . . . . 3.48 108.993 -177.016 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . 0.482 ' C ' ' H ' ' A' ' 98' ' ' ASN . 12.6 m-20 -107.56 165.55 12.6 Favored Pre-proline 0 C--N 1.319 -0.724 0 N-CA-C 107.55 -1.278 . . . . 1.79 107.55 172.659 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 16.8 Cg_exo -68.63 14.02 0.2 Allowed 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.935 2.423 . . . . 1.07 112.727 -177.192 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . 0.482 ' H ' ' C ' ' A' ' 96' ' ' ASP . 27.8 p-10 -159.21 26.99 0.2 Allowed 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.931 -0.577 . . . . 2.63 109.624 178.25 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 58.5 m -139.39 110.36 6.83 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 115.658 -0.701 . . . . 1.26 111.194 179.506 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.464 ' HB3' ' HB2' ' A' ' 118' ' ' TYR . 14.1 tp -103.83 133.98 47.91 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.763 -0.653 . . . . 1.78 109.79 177.773 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 14.4 p -113.41 132.63 55.55 Favored 'General case' 0 C--N 1.321 -0.645 0 O-C-N 121.777 -0.577 . . . . 1.11 111.316 -179.694 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -115.19 96.61 5.76 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.701 -0.681 . . . . 1.31 109.508 177.548 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' THR . . . . . 0.45 ' O ' ' HA ' ' A' ' 90' ' ' ILE . 26.8 m -89.03 117.89 28.36 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.833 -0.622 . . . . 1.12 110.691 -174.217 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' HIS . . . . . 0.53 ' HB3' ' CE1' ' A' ' 88' ' ' HIS . 10.6 m170 -102.05 92.16 4.65 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.297 -0.411 . . . . 2.22 110.335 -179.832 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.514 ' HB ' ' CG ' ' A' ' 89' ' ' LYS . 15.9 mt -90.4 111.92 24.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-O 121.422 0.629 . . . . 1.36 110.725 177.888 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . 0.591 ' HA ' ' CB ' ' A' ' 88' ' ' HIS . 98.6 mttt -61.08 118.11 6.37 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.075 -0.966 . . . . 2.12 111.504 178.598 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 29.5 m -65.65 -23.88 33.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 114.959 -1.018 . . . . 2.03 111.006 179.657 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -82.42 -37.13 25.93 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 116.341 -0.39 . . . . 2.5 110.452 -179.575 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . 0.411 ' O ' ' HB2' ' A' ' 106' ' ' LYS . 15.0 t70 -152.82 100.36 2.73 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.392 0.615 . . . . 2.39 110.275 177.016 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 63.3 Cg_endo -74.01 9.5 1.68 Allowed 'Trans proline' 0 CA--C 1.531 0.344 0 C-N-CA 123.281 2.654 . . . . 0.91 113.969 -177.623 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 63.7 p -110.85 14.83 22.1 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.695 0.76 . . . . 1.91 110.492 176.368 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -130.5 27.6 5.0 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 122.085 0.945 . . . . 1.59 109.099 175.444 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.49 ' CG1' ' HA ' ' A' ' 105' ' ' ILE . 16.9 m -72.52 178.8 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 114.909 -1.041 . . . . 2.17 111.568 -175.64 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . 0.462 ' HB2' ' NH1' ' A' ' 26' ' ' ARG . 8.4 tp10 -162.1 153.02 17.71 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.244 -0.435 . . . . 2.78 110.166 176.582 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 86.7 m -131.17 130.24 42.77 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.265 0.555 . . . . 1.18 110.867 -176.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' TYR . . . . . 0.432 ' HB3' ' CE ' ' A' ' 127' ' ' MET . 9.7 m-30 -95.08 144.69 25.53 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 107.518 -1.29 . . . . 1.49 107.518 174.513 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . 0.532 ' O ' ' HA ' ' A' ' 127' ' ' MET . 37.4 tt0 -129.36 120.02 24.87 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 118.964 0.802 . . . . 1.53 109.268 -175.608 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . 0.464 ' HB2' ' HB3' ' A' ' 100' ' ' LEU . 78.2 m-85 -96.81 108.37 21.03 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.632 -175.546 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 22.7 ttt180 -120.39 152.17 38.27 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.101 -0.499 . . . . 3.96 109.841 178.301 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . 0.486 ' NH2' ' HA ' ' A' ' 123' ' ' ASP . 14.9 mmm180 -98.3 138.95 34.81 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 120.884 0.373 . . . . 2.25 111.259 -179.294 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -130.4 88.97 2.71 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.015 -0.539 . . . . 1.08 109.583 176.749 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 68.25 -95.5 0.36 Allowed Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 120.949 -0.643 . . . . 1.04 111.611 -176.226 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . 0.486 ' HA ' ' NH2' ' A' ' 120' ' ' ARG . 6.2 p-10 -118.71 -2.09 11.0 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.987 0.422 . . . . 2.31 110.667 177.607 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 24.1 m-85 -96.55 143.83 27.18 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.089 -0.505 . . . . 1.17 110.857 -178.707 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -93.59 118.44 31.37 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 107.753 -1.202 . . . . 1.66 107.753 172.514 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 59.6 t -117.2 129.3 73.96 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.819 0 CA-C-O 121.152 0.501 . . . . 1.1 109.833 -173.406 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' MET . . . . . 0.538 ' HB3' ' HB3' ' A' ' 138' ' ' ARG . 23.3 ttm -103.49 138.82 39.68 Favored 'General case' 0 C--N 1.311 -1.068 0 CA-C-N 115.77 -0.65 . . . . 1.4 110.829 -178.858 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 23.8 mmtp -108.5 129.82 55.28 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.543 -0.753 . . . . 2.68 109.431 175.003 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' MET . . . . . 0.546 ' HE1' ' CE1' ' A' ' 22' ' ' TYR . 67.3 mtp -131.91 127.43 36.41 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 107.874 -1.158 . . . . 1.66 107.874 175.666 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' SER . . . . . 0.48 ' HA ' ' O ' ' A' ' 134' ' ' VAL . 7.2 p -139.9 129.98 25.0 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.044 0.45 . . . . 1.5 112.169 -172.199 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 131' ' ' TRP . . . . . 0.429 ' CG ' ' HD2' ' A' ' 26' ' ' ARG . 30.1 t-105 -146.03 131.03 18.23 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.455 -0.793 . . . . 0.88 110.084 178.624 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 59.0 mttp 51.24 43.75 29.13 Favored 'General case' 0 C--N 1.327 -0.371 0 O-C-N 123.677 0.61 . . . . 2.42 111.634 -179.259 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 80.73 -6.23 62.51 Favored Glycine 0 N--CA 1.451 -0.338 0 CA-C-N 115.633 -0.712 . . . . 0.53 113.289 177.609 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . 0.48 ' O ' ' HA ' ' A' ' 130' ' ' SER . 4.3 t -93.54 105.6 17.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.97 0.385 . . . . 1.13 110.479 -179.249 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -99.66 132.07 45.24 Favored 'General case' 0 N--CA 1.438 -1.063 0 CA-C-O 121.171 0.51 . . . . 1.64 110.397 176.801 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 6.1 t -120.43 140.25 51.65 Favored 'General case' 0 C--N 1.31 -1.131 0 CA-C-N 115.537 -0.756 . . . . 1.1 109.571 177.677 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 15.2 m -106.13 117.15 33.3 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.018 0.437 . . . . 1.06 110.233 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 138' ' ' ARG . . . . . 0.538 ' HB3' ' HB3' ' A' ' 127' ' ' MET . 5.4 tpt180 -97.79 108.22 20.88 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 108.588 -0.893 . . . . 2.41 108.588 179.183 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 92.5 m-85 -91.58 112.9 25.0 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.859 0.362 . . . . 1.03 111.747 -171.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 140' ' ' TYR . . . . . 0.454 ' CE1' HD13 ' A' ' 13' ' ' LEU . 95.3 m-85 -107.83 147.01 31.48 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.824 -0.626 . . . . 0.92 110.942 177.518 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 141' ' ' LYS . . . . . 0.505 ' HG3' ' O ' ' A' ' 142' ' ' LYS . 17.5 ptpt -127.95 166.43 18.35 Favored 'General case' 0 C--N 1.31 -1.149 0 N-CA-C 107.194 -1.41 . . . . 2.41 107.194 173.676 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 142' ' ' LYS . . . . . 0.585 ' O ' ' HG2' ' A' ' 12' ' ' LYS . 31.1 mtpp -54.5 165.84 0.52 Allowed 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 119.304 0.956 . . . . 2.59 111.262 173.164 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . 0.677 ' NE2' ' HB3' ' A' ' 12' ' ' LYS . 26.5 mm-40 . . . . . 0 C--O 1.245 0.865 0 O-C-N 121.537 -0.727 . . . . 1.74 110.399 165.117 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' THR . . . . . 0.403 HG22 ' HH ' ' A' ' 56' ' ' TYR . 2.8 m . . . . . 0 N--CA 1.45 -0.441 0 CA-C-O 120.886 0.374 . . . . 1.44 110.916 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.48 ' HB2' ' CE1' ' A' ' 56' ' ' TYR . 0.5 OUTLIER -64.36 120.95 69.4 Favored Pre-proline 0 C--N 1.327 -0.401 0 CA-C-N 115.632 -0.713 . . . . 1.33 110.422 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 41.4 Cg_exo -56.49 125.55 19.41 Favored 'Trans proline' 0 N--CA 1.459 -0.522 0 C-N-CA 122.342 2.028 . . . . 0.81 110.432 172.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . 0.422 ' HA ' HD13 ' A' ' 8' ' ' LEU . 4.2 p-10 -57.45 -20.48 30.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.108 -0.496 . . . . 2.19 111.62 -175.393 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 70.7 tttt -64.21 -15.91 60.93 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.39 -0.368 . . . . 3.1 111.555 179.108 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 31.7 m-85 -97.51 -1.55 43.81 Favored 'General case' 0 C--N 1.333 -0.129 0 O-C-N 122.053 -0.404 . . . . 0.74 110.53 176.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.422 HD13 ' HA ' ' A' ' 5' ' ' ASP . 83.1 mt -100.1 150.54 22.38 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.121 0.486 . . . . 1.12 111.083 -174.314 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 133.55 -179.1 17.74 Favored Glycine 0 N--CA 1.446 -0.64 0 CA-C-N 115.467 -0.788 . . . . 0.52 111.997 -178.676 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 56.4 m -110.78 126.82 55.02 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.856 -0.424 . . . . 1.62 109.856 176.666 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 45.1 m-85 -126.91 133.63 50.63 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.429 -0.351 . . . . 0.57 111.127 -175.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.51 ' HD2' ' NE2' ' A' ' 143' ' ' GLN . 21.0 ptmt -93.9 138.4 32.08 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 120.686 -0.405 . . . . 2.65 110.442 172.597 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.449 HD13 ' CZ ' ' A' ' 138' ' ' ARG . 5.4 tt -55.19 121.48 8.91 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.57 -0.286 . . . . 1.79 110.471 175.008 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -94.64 -52.82 4.13 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.315 -0.402 . . . . 2.08 110.376 179.126 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 14.3 ptm180 -163.62 -169.52 1.95 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.275 -0.42 . . . . 3.92 110.037 -177.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -147.18 -174.37 4.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.839 0.352 . . . . 1.19 111.125 -177.384 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -162.6 109.49 1.26 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.779 -0.646 . . . . 2.66 110.085 -179.616 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 3.1 t30 69.27 24.44 5.94 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-O 121.742 0.782 . . . . 0.97 110.711 176.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 76.9 t80 -73.58 -41.41 62.93 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.428 -0.806 . . . . 0.64 111.335 -174.363 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.533 ' OD1' ' HE3' ' A' ' 24' ' ' LYS . 27.9 t70 -57.3 -48.65 78.37 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.92 0.391 . . . . 2.04 110.775 179.256 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -60.32 -35.39 75.52 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.12 -0.491 . . . . 1.79 111.533 178.519 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.705 ' CE1' ' HE1' ' A' ' 129' ' ' MET . 82.7 t80 -60.75 -40.2 91.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.871 0.367 . . . . 1.12 110.644 174.39 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.402 HD21 HG21 ' A' ' 36' ' ' ILE . 96.1 mt -63.89 -38.42 91.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 1.13 110.621 -178.245 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.533 ' HE3' ' OD1' ' A' ' 20' ' ' ASP . 96.9 mttt -61.95 -47.93 82.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.866 -0.606 . . . . 2.43 110.154 178.883 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.93 -36.08 76.26 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.43 -0.805 . . . . 1.2 111.098 179.13 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 19.0 mmm180 -74.9 -11.01 60.03 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.924 -0.58 . . . . 1.71 111.668 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 99.98 11.97 41.37 Favored Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 120.489 -0.863 . . . . 0.62 112.943 176.179 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 94.8 m-85 -84.91 122.04 28.61 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.891 0.377 . . . . 0.99 110.175 177.32 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -78.02 -176.31 45.9 Favored Glycine 0 N--CA 1.445 -0.703 0 CA-C-N 115.664 -0.698 . . . . 1.54 112.014 177.33 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.52 ' O ' ' HG2' ' A' ' 34' ' ' GLN . 42.8 t90 -51.04 -43.48 60.94 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 122.286 0.234 . . . . 1.31 111.625 -178.836 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.547 HD11 ' H ' ' A' ' 31' ' ' ILE . 3.6 mp -56.73 -59.28 3.19 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.774 0 CA-C-O 121.402 0.62 . . . . 2.68 110.004 -175.484 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.704 ' O ' HG12 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -62.89 -40.76 98.54 Favored 'General case' 0 N--CA 1.427 -1.591 0 CA-C-N 115.112 -0.949 . . . . 1.16 110.918 -177.751 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.407 ' O ' ' HE2' ' A' ' 37' ' ' LYS . 46.9 mtm105 -57.31 -30.09 64.47 Favored 'General case' 0 C--N 1.33 -0.243 0 O-C-N 123.201 0.313 . . . . 2.48 110.972 178.844 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.52 ' HG2' ' O ' ' A' ' 30' ' ' TRP . 29.4 mm-40 -66.64 -46.8 74.6 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.303 -0.629 . . . . 2.4 109.303 174.605 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 67.3 t -64.68 -58.6 6.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.162 -0.472 . . . . 1.33 111.11 -177.607 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.704 HG12 ' O ' ' A' ' 32' ' ' MET . 2.3 mm -47.68 -48.25 10.96 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.406 0 CA-C-N 116.017 -0.538 . . . . 1.25 111.975 -177.096 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.407 ' HE2' ' O ' ' A' ' 33' ' ' ARG . 52.3 mtmt -77.28 -32.17 55.3 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.224 -0.444 . . . . 1.62 111.68 -174.593 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 14.8 mt -102.6 32.39 3.64 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.838 0.352 . . . . 2.6 110.991 -176.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -90.75 -85.08 0.23 Allowed 'General case' 0 N--CA 1.447 -0.618 0 CA-C-O 121.119 0.485 . . . . 1.15 111.031 -178.647 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.47 ' O ' ' HA ' ' A' ' 62' ' ' THR . . . 118.8 115.25 2.62 Favored Glycine 0 C--N 1.308 -0.99 0 N-CA-C 110.66 -0.976 . . . . 0.84 110.66 -167.524 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.524 ' HB ' ' CG2' ' A' ' 62' ' ' THR . 0.5 OUTLIER -145.07 136.91 20.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-O 121.482 0.658 . . . . 1.88 111.752 -175.755 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 29.3 m -115.23 125.38 53.29 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 114.826 -1.079 . . . . 1.13 110.301 178.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.705 ' HZ3' ' HH ' ' A' ' 118' ' ' TYR . 74.0 mmtt -88.79 134.31 33.97 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.567 -0.288 . . . . 1.45 110.393 178.583 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.476 ' HB2' ' HB2' ' A' ' 59' ' ' GLU . 51.2 mtpt -129.63 117.06 19.78 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 110.206 -0.294 . . . . 2.46 110.206 177.491 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 74.3 m-85 -118.83 130.19 55.63 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.424 -0.584 . . . . 0.63 109.424 174.68 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 11.2 ptp180 -161.17 167.5 26.01 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.22 0.533 . . . . 3.72 111.612 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . 0.487 ' HA ' ' CD2' ' A' ' 56' ' ' TYR . 7.4 p30 -66.18 146.18 54.94 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 108.145 -1.058 . . . . 1.9 108.145 170.361 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -47.57 117.22 1.72 Allowed 'General case' 0 CA--C 1.519 -0.246 0 CA-C-O 121.075 0.464 . . . . 1.18 111.74 -172.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -46.64 -38.33 9.52 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 114.234 -1.348 . . . . 1.94 113.515 -175.545 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 49.4 m -73.8 14.13 0.42 Allowed 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.671 0.619 . . . . 2.82 112.671 -179.483 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 71.44 22.16 78.61 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.827 -0.702 . . . . 1.96 112.769 178.071 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.402 ' HD2' ' HD2' ' A' ' 53' ' ' PRO . 54.9 tptt -82.89 119.38 74.25 Favored Pre-proline 0 N--CA 1.447 -0.605 0 N-CA-C 109.647 -0.501 . . . . 3.54 109.647 178.297 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.479 ' O ' ' HB3' ' A' ' 54' ' ' ASP . 60.9 Cg_endo -72.68 147.71 45.69 Favored 'Trans proline' 0 C--O 1.238 0.496 0 C-N-CA 122.452 2.101 . . . . 2.1 112.317 -178.666 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.479 ' HB3' ' O ' ' A' ' 53' ' ' PRO . 27.5 t70 82.38 -52.02 0.21 Allowed 'General case' 0 N--CA 1.464 0.27 0 O-C-N 124.306 1.004 . . . . 2.44 109.529 178.47 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 9.8 mpt_? -64.13 141.8 58.64 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.378 -0.828 . . . . 4.72 112.261 173.13 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.487 ' CD2' ' HA ' ' A' ' 47' ' ' ASN . 90.5 m-85 -120.41 169.45 10.3 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.096 -0.956 . . . . 1.39 109.257 174.529 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -136.04 151.04 49.46 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.368 -0.604 . . . . 1.1 109.368 171.559 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.49 ' HE1' ' OD1' ' A' ' 60' ' ' ASN . 1.9 tmt? -143.08 138.41 29.88 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.901 -0.59 . . . . 1.22 110.01 -171.205 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.476 ' HB2' ' HB2' ' A' ' 44' ' ' LYS . 41.9 mt-10 -127.9 151.1 49.49 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.566 0.698 . . . . 1.77 112.812 -175.741 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.49 ' OD1' ' HE1' ' A' ' 58' ' ' MET . 36.9 m-80 -126.49 85.42 2.38 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 114.311 -1.313 . . . . 1.55 108.896 174.479 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 57.8 mt -84.11 108.77 17.22 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 116.127 -0.488 . . . . 2.22 110.516 -178.603 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.524 ' CG2' ' HB ' ' A' ' 41' ' ' VAL . 23.6 p -121.39 -179.22 4.0 Favored 'General case' 0 N--CA 1.445 -0.71 0 CA-C-N 116.248 -0.433 . . . . 1.16 109.869 -176.889 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 26.9 p -86.1 -26.06 25.47 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-N 116.234 -0.439 . . . . 1.14 111.307 -177.621 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 32.2 mmmt -103.81 -17.85 14.89 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.275 -0.421 . . . . 2.64 110.842 -177.072 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.456 ' HA ' ' HE3' ' A' ' 65' ' ' LYS . 0.0 OUTLIER -137.28 -155.22 0.59 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.058 0.456 . . . . 2.34 111.123 -176.821 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.406 ' H ' ' HB3' ' A' ' 65' ' ' LYS . 6.3 p-10 166.4 98.76 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 114.604 -1.18 . . . . 2.12 108.56 -172.123 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.478 ' OG1' ' HB2' ' A' ' 60' ' ' ASN . 45.7 p -120.65 145.92 46.93 Favored 'General case' 0 C--N 1.307 -1.26 0 CA-C-N 115.39 -0.823 . . . . 1.17 110.142 -177.043 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 8.3 t-160 -140.73 91.98 2.47 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-N 115.858 -0.61 . . . . 2.5 109.925 -175.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 7.7 m-70 -68.05 87.33 0.26 Allowed 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 108.397 -0.964 . . . . 0.48 108.397 174.564 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 12.0 ptpt -92.75 125.92 37.59 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 112.347 0.499 . . . . 2.79 112.347 -173.374 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 17.4 t70 64.77 68.48 0.52 Allowed 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 114.977 -1.01 . . . . 2.07 110.94 173.725 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 70.3 p-90 -119.86 152.65 37.01 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.893 -0.594 . . . . 0.51 110.204 176.606 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.411 ' O ' ' HB2' ' A' ' 76' ' ' GLU . . . -115.95 138.09 51.51 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-O 120.78 0.324 . . . . 1.22 110.319 178.732 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.495 HD12 HD12 ' A' ' 94' ' ' LEU . 4.6 tt -56.68 129.6 41.81 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.111 -0.495 . . . . 2.28 110.081 175.536 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.464 ' N ' HD22 ' A' ' 74' ' ' LEU . . . 89.4 -0.64 81.11 Favored Glycine 0 N--CA 1.45 -0.421 0 CA-C-N 115.789 -0.641 . . . . 0.66 112.37 -176.608 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.411 ' HB2' ' O ' ' A' ' 73' ' ' ALA . 51.9 mm-40 -112.42 170.28 8.28 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.328 0.585 . . . . 2.37 110.979 -176.523 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -131.78 131.93 43.35 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.295 -0.866 . . . . 1.4 109.033 -176.222 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 34.9 p90 -136.38 159.6 41.27 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-O 120.612 0.244 . . . . 0.69 110.431 -177.084 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 70.5 mt-30 -91.16 145.59 24.55 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.702 -0.481 . . . . 2.38 109.702 172.695 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . 0.434 ' HB3' HD13 ' A' ' 90' ' ' ILE . 7.8 t70 -167.59 165.19 14.62 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 115.682 -0.69 . . . . 1.26 109.686 -174.356 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.428 ' HA ' ' HA ' ' A' ' 87' ' ' GLN . 35.2 tt0 -98.96 118.89 36.76 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.188 -0.671 . . . . 2.26 109.188 179.73 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.56 ' HB3' ' OD1' ' A' ' 84' ' ' ASP . . . -96.1 178.46 5.4 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.528 -0.76 . . . . 1.61 112.348 -173.359 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -63.39 -16.64 61.1 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.338 -0.392 . . . . 1.98 111.227 -177.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.56 ' OD1' ' HB3' ' A' ' 82' ' ' ALA . 6.8 p-10 -80.25 14.82 1.77 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.352 -0.385 . . . . 1.55 110.996 177.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 53.3 m 75.5 -32.03 0.21 Allowed 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 124.153 0.981 . . . . 1.68 112.712 169.47 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 11.9 p -90.83 165.69 13.49 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 120.827 0.346 . . . . 1.5 110.176 174.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . 0.428 ' HA ' ' HA ' ' A' ' 81' ' ' GLU . 3.9 pt20 -109.69 152.69 25.28 Favored 'General case' 0 CA--C 1.503 -0.836 0 C-N-CA 120.496 -0.482 . . . . 1.88 109.973 -179.774 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . 0.693 ' HB2' ' O ' ' A' ' 105' ' ' ILE . 4.3 p80 -169.05 -172.52 1.56 Allowed 'General case' 0 C--N 1.313 -0.978 0 CA-C-N 115.615 -0.72 . . . . 1.51 111.232 -176.526 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 18.9 ptmt -78.32 142.3 37.83 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-O 120.993 0.425 . . . . 1.95 110.378 -177.135 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.434 HD13 ' HB3' ' A' ' 80' ' ' ASP . 65.4 mt -141.15 124.56 16.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 115.36 -0.836 . . . . 1.19 110.373 -179.356 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 6.1 m -107.94 133.78 51.79 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-O 120.965 0.412 . . . . 1.12 110.49 177.114 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -116.07 130.03 56.62 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.045 -0.724 . . . . 0.81 109.045 175.532 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -170.44 173.66 5.51 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 109.153 -0.684 . . . . 1.69 109.153 -176.769 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.495 HD12 HD12 ' A' ' 74' ' ' LEU . 2.9 mp -109.86 132.22 54.35 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.289 0.566 . . . . 1.81 111.185 -177.356 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 4.7 tmmm? -87.42 -39.67 15.05 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.086 -0.961 . . . . 3.48 108.56 179.035 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . 0.436 ' C ' ' H ' ' A' ' 98' ' ' ASN . 3.8 p30 -145.81 161.62 39.48 Favored Pre-proline 0 C--N 1.323 -0.577 0 N-CA-C 107.714 -1.217 . . . . 1.79 107.714 172.589 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_exo -62.64 8.33 0.12 Allowed 'Trans proline' 0 N--CA 1.481 0.778 0 C-N-CA 123.581 2.854 . . . . 1.07 114.258 -174.57 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . 0.436 ' H ' ' C ' ' A' ' 96' ' ' ASP . 20.1 t-20 -126.77 -10.57 6.11 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.555 0.217 . . . . 2.63 110.679 179.52 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 16.1 m -129.29 113.33 14.87 Favored 'General case' 0 C--O 1.236 0.389 0 N-CA-C 112.647 0.61 . . . . 1.26 112.647 -174.474 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.451 ' HB3' ' HB2' ' A' ' 118' ' ' TYR . 0.7 OUTLIER -77.61 148.54 35.07 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 107.672 -1.233 . . . . 1.78 107.672 169.002 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' THR . . . . . 0.497 HG21 ' HG2' ' A' ' 117' ' ' GLU . 17.0 p -129.15 135.7 49.21 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 118.689 0.677 . . . . 1.11 111.431 176.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 75.5 tt0 -117.25 109.05 16.38 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.512 -0.767 . . . . 1.31 109.928 176.61 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 43.0 m -106.9 119.75 40.2 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.892 -0.41 . . . . 1.12 109.892 179.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' HIS . . . . . 0.519 ' HB2' ' CE1' ' A' ' 88' ' ' HIS . 25.4 p80 -119.64 128.3 53.72 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 120.35 -0.54 . . . . 2.22 111.059 179.153 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.693 ' O ' ' HB2' ' A' ' 88' ' ' HIS . 53.0 mt -129.84 132.99 65.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.404 -0.817 . . . . 1.36 109.973 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . 0.567 ' HA ' ' CB ' ' A' ' 88' ' ' HIS . 46.5 mttp -63.39 119.82 10.44 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.282 0.563 . . . . 2.12 112.314 -179.707 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . 0.424 HG13 ' HA ' ' A' ' 88' ' ' HIS . 29.9 m -59.93 -29.94 44.34 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.232 0 CA-C-N 114.893 -1.049 . . . . 2.03 110.71 176.148 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -75.12 -60.31 2.35 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.217 -0.901 . . . . 2.5 110.284 179.517 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . 0.457 ' C ' ' H ' ' A' ' 111' ' ' THR . 3.3 m-20 -133.37 99.64 14.42 Favored Pre-proline 0 C--N 1.319 -0.739 0 CA-C-N 115.34 -0.846 . . . . 2.39 109.999 179.549 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -67.73 14.55 0.15 Allowed 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 124.011 3.141 . . . . 0.91 113.148 -178.159 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' THR . . . . . 0.457 ' H ' ' C ' ' A' ' 109' ' ' ASP . 28.7 p -71.5 -32.38 68.16 Favored 'General case' 0 N--CA 1.443 -0.777 0 N-CA-C 109.232 -0.655 . . . . 1.91 109.232 174.687 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -83.62 103.99 13.38 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 114.986 -1.006 . . . . 1.59 110.397 174.634 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.416 HG21 HG12 ' A' ' 105' ' ' ILE . 24.2 t -124.39 132.24 71.62 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.297 0 N-CA-C 108.966 -0.753 . . . . 2.17 108.966 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . 0.502 ' HB3' ' NE2' ' A' ' 104' ' ' HIS . 40.8 tt0 -152.13 145.35 24.66 Favored 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 120.713 -0.395 . . . . 2.78 110.718 177.198 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 30.8 m -131.54 130.38 42.24 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.051 -0.522 . . . . 1.18 111.261 -178.198 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' TYR . . . . . 0.44 ' HB3' ' CE ' ' A' ' 127' ' ' MET . 20.2 m-85 -104.3 154.42 19.83 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 107.54 -1.281 . . . . 1.49 107.54 172.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . 0.497 ' HG2' HG21 ' A' ' 101' ' ' THR . 31.7 mt-10 -132.79 129.25 38.32 Favored 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 108.642 -0.873 . . . . 1.53 108.642 179.41 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . 0.705 ' HH ' ' HZ3' ' A' ' 43' ' ' LYS . 76.1 m-85 -109.98 98.65 7.9 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.772 0.32 . . . . 1.0 111.0 -176.643 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 2.6 ptp180 -117.37 167.35 11.33 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.067 0.46 . . . . 3.96 111.303 179.448 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 11.8 mmm180 -121.96 119.36 31.28 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.117 -0.492 . . . . 2.25 110.669 179.746 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -101.95 -11.28 19.09 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.638 0.732 . . . . 1.08 109.521 175.331 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -179.85 -131.3 1.61 Allowed Glycine 0 N--CA 1.447 -0.579 0 CA-C-N 115.141 -0.936 . . . . 1.04 111.062 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -88.24 24.24 1.93 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.057 0.456 . . . . 2.31 110.96 178.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 82.7 m-85 -128.92 138.16 51.84 Favored 'General case' 0 N--CA 1.444 -0.754 0 N-CA-C 109.234 -0.654 . . . . 1.17 109.234 -179.156 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -76.33 102.38 5.88 Favored 'General case' 0 N--CA 1.436 -1.166 0 N-CA-C 107.088 -1.449 . . . . 1.66 107.088 171.766 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 19.1 t -94.85 103.98 15.3 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.866 0 N-CA-C 108.545 -0.909 . . . . 1.1 108.545 -173.471 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' MET . . . . . 0.497 ' SD ' ' HE3' ' A' ' 43' ' ' LYS . 28.1 ttt -95.43 140.85 29.71 Favored 'General case' 0 C--N 1.302 -1.487 0 CA-C-N 114.521 -1.218 . . . . 1.4 109.771 -172.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . 0.433 ' HB3' ' HB2' ' A' ' 117' ' ' GLU . 47.4 tttm -125.95 136.87 53.51 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-O 120.931 0.396 . . . . 2.68 110.062 -176.345 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' MET . . . . . 0.705 ' HE1' ' CE1' ' A' ' 22' ' ' TYR . 44.8 mtp -137.27 130.74 31.31 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 108.496 -0.927 . . . . 1.66 108.496 179.681 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 8.1 p -141.92 132.26 25.05 Favored 'General case' 0 C--N 1.323 -0.586 0 C-N-CA 120.518 -0.473 . . . . 1.5 111.983 -177.185 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 131' ' ' TRP . . . . . . . . . . . . . 56.8 t-105 -147.51 132.88 18.54 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.51 -0.768 . . . . 0.88 110.109 177.334 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 68.1 mttm 54.11 37.48 27.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.685 -0.689 . . . . 2.42 111.604 -178.072 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 85.47 -27.96 4.99 Favored Glycine 0 N--CA 1.451 -0.323 0 CA-C-N 115.999 -0.546 . . . . 0.53 113.094 -179.608 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 16.4 t -76.77 108.43 9.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 120.927 0.394 . . . . 1.13 110.034 -178.083 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 32.1 t -109.13 159.5 16.84 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.788 0.804 . . . . 1.64 110.81 -179.702 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 136' ' ' THR . . . . . 0.447 ' CG2' ' HB2' ' A' ' 129' ' ' MET . 4.7 t -142.06 141.62 32.78 Favored 'General case' 0 C--N 1.307 -1.269 0 CA-C-N 114.275 -1.33 . . . . 1.1 110.758 -179.355 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -102.67 101.29 11.4 Favored 'General case' 0 N--CA 1.446 -0.631 0 N-CA-C 109.159 -0.682 . . . . 1.06 109.159 174.817 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 138' ' ' ARG . . . . . 0.479 ' HB3' ' HB3' ' A' ' 127' ' ' MET . 16.2 tpt180 -85.56 103.12 14.12 Favored 'General case' 0 C--N 1.317 -0.845 0 N-CA-C 108.749 -0.834 . . . . 2.41 108.749 -178.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 -85.63 110.2 19.1 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.113 0.482 . . . . 1.03 111.902 -171.704 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 86.2 m-85 -106.18 127.79 53.46 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.727 -0.67 . . . . 0.92 109.963 173.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 141' ' ' LYS . . . . . 0.482 ' HD3' ' O ' ' A' ' 142' ' ' LYS . 0.0 OUTLIER -108.51 158.7 17.31 Favored 'General case' 0 C--O 1.21 -1.004 0 N-CA-C 108.062 -1.088 . . . . 2.41 108.062 178.619 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 142' ' ' LYS . . . . . 0.482 ' O ' ' HD3' ' A' ' 141' ' ' LYS . 78.3 tttt -47.41 162.29 0.07 Allowed 'General case' 0 CA--C 1.546 0.8 0 CA-C-O 121.896 0.855 . . . . 2.59 113.075 -178.443 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . 0.51 ' NE2' ' HD2' ' A' ' 12' ' ' LYS . 3.6 mm-40 . . . . . 0 C--O 1.246 0.889 0 O-C-N 121.328 -0.857 . . . . 1.74 110.263 159.042 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 19.3 m . . . . . 0 C--O 1.233 0.186 0 N-CA-C 110.039 -0.356 . . . . 1.44 110.039 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.466 ' HB2' ' CE1' ' A' ' 56' ' ' TYR . 0.2 OUTLIER -60.32 117.32 23.16 Favored Pre-proline 0 C--O 1.234 0.244 0 O-C-N 123.331 0.395 . . . . 1.33 111.067 -174.065 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . 0.415 ' HD2' HD21 ' A' ' 3' ' ' LEU . 44.8 Cg_exo -56.99 122.2 11.42 Favored 'Trans proline' 0 N--CA 1.461 -0.434 0 C-N-CA 122.922 2.414 . . . . 0.81 111.291 174.159 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -55.05 -24.36 24.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.616 -0.72 . . . . 2.19 111.663 -177.335 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.456 ' HZ2' ' HB3' ' A' ' 6' ' ' LYS . 0.2 OUTLIER -61.15 -14.73 26.85 Favored 'General case' 0 CA--C 1.534 0.361 0 N-CA-C 112.53 0.567 . . . . 3.1 112.53 178.442 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.453 ' HZ ' ' C ' ' A' ' 98' ' ' ASN . 24.0 m-85 -96.91 -3.46 41.84 Favored 'General case' 0 C--N 1.33 -0.268 0 O-C-N 121.932 -0.48 . . . . 0.74 111.222 179.014 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.445 HD23 ' HB3' ' A' ' 45' ' ' PHE . 97.2 mt -92.86 149.84 21.0 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.285 0.564 . . . . 1.12 111.889 -170.646 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 128.0 170.35 12.81 Favored Glycine 0 N--CA 1.442 -0.919 0 CA-C-N 115.195 -0.911 . . . . 0.52 111.568 -179.137 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.423 HG21 ' HG2' ' A' ' 44' ' ' LYS . 57.0 m -101.24 123.55 45.53 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 109.347 -0.612 . . . . 1.62 109.347 175.578 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.478 ' HA ' ' HA ' ' A' ' 142' ' ' LYS . 55.6 m-85 -116.02 138.08 51.54 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.574 -0.284 . . . . 0.57 111.536 -174.095 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' ' 141' ' ' LYS . 14.6 ptmm? -84.47 -165.97 1.32 Allowed 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 109.266 -0.642 . . . . 2.65 109.266 165.491 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.5 tt -121.71 125.23 46.13 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 107.852 -1.166 . . . . 1.79 107.852 -176.27 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -92.94 -57.62 2.59 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.723 0.297 . . . . 2.08 110.753 179.109 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 23.3 ptt180 -156.41 179.37 9.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.994 0.426 . . . . 3.92 110.97 -176.358 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -138.32 172.31 13.1 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.733 -0.667 . . . . 1.19 110.05 178.691 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -153.64 118.7 5.08 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.496 -0.32 . . . . 2.66 110.979 -177.454 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 5.6 t30 63.31 29.27 15.79 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-O 121.761 0.791 . . . . 0.97 110.775 174.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.449 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 4.6 t80 -80.88 -33.91 33.98 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.451 -0.795 . . . . 0.64 110.513 -176.35 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.507 ' O ' ' HG3' ' A' ' 24' ' ' LYS . 2.1 m-20 -53.08 -57.69 9.55 Favored 'General case' 0 CA--C 1.515 -0.367 0 N-CA-C 109.865 -0.421 . . . . 2.04 109.865 172.372 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.43 ' HA ' ' HD2' ' A' ' 24' ' ' LYS . 8.9 mp0 -51.26 -44.62 61.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.314 -0.857 . . . . 1.79 111.5 178.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.793 ' CE1' ' HE2' ' A' ' 129' ' ' MET . 78.1 t80 -59.28 -44.56 92.46 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 116.432 -0.349 . . . . 1.12 111.079 177.007 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.449 ' HG ' ' O ' ' A' ' 19' ' ' PHE . 97.2 mt -66.85 -35.58 80.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.964 0.411 . . . . 1.13 110.008 -177.524 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.507 ' HG3' ' O ' ' A' ' 20' ' ' ASP . 94.3 mttt -61.32 -52.61 63.94 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.759 -0.655 . . . . 2.43 109.89 175.697 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.37 -36.77 69.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.169 -0.923 . . . . 1.2 111.208 177.631 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 8.9 mmm180 -67.08 -18.66 65.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.763 -0.653 . . . . 1.71 111.521 179.641 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 106.8 -1.3 36.12 Favored Glycine 0 N--CA 1.447 -0.624 0 C-N-CA 120.485 -0.864 . . . . 0.62 113.17 179.381 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 72.7 m-85 -69.85 112.12 6.06 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.243 0.544 . . . . 0.99 109.824 179.374 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -62.83 -55.65 25.63 Favored Glycine 0 C--N 1.333 0.38 0 CA-C-N 114.617 -1.174 . . . . 1.54 113.868 -172.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 87.6 t90 -167.04 -58.22 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 117.229 0.515 . . . . 1.31 111.36 -179.203 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -51.81 -50.71 31.5 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.155 0 O-C-N 123.319 0.387 . . . . 2.68 111.885 -178.024 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 55.4 mmm -59.03 -36.85 75.68 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.115 -0.493 . . . . 1.16 111.539 178.746 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.484 ' NH1' ' HG2' ' A' ' 24' ' ' LYS . 16.6 mtm180 -67.71 -24.63 65.41 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.008 0.432 . . . . 2.48 110.073 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.572 ' O ' HD21 ' A' ' 38' ' ' LEU . 29.8 mm-40 -77.29 -31.17 54.62 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.892 -0.594 . . . . 2.4 110.214 177.353 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.482 ' CG1' ' HG3' ' A' ' 64' ' ' LYS . 94.6 t -84.06 -63.33 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-O 120.806 0.336 . . . . 1.33 111.25 -179.364 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 88.6 mt -41.39 -46.07 0.8 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.486 0 C-N-CA 124.275 1.03 . . . . 1.25 113.656 179.672 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 43.7 mtmt -74.55 -25.85 59.58 Favored 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 112.177 0.436 . . . . 1.62 112.177 -176.642 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.572 HD21 ' O ' ' A' ' 34' ' ' GLN . 4.5 mm? -95.1 7.92 44.62 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.175 0.512 . . . . 2.6 110.754 -174.309 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -85.24 117.27 24.08 Favored 'General case' 0 N--CA 1.444 -0.77 0 CA-C-N 115.747 -0.66 . . . . 1.15 110.114 177.027 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.649 ' O ' ' HA ' ' A' ' 62' ' ' THR . . . -68.4 119.49 10.4 Favored Glycine 0 N--CA 1.445 -0.736 0 N-CA-C 110.649 -0.98 . . . . 0.84 110.649 173.7 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 51.9 t -109.18 120.51 60.64 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.761 0 CA-C-O 121.026 0.441 . . . . 1.88 111.097 -172.786 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.433 ' HB ' ' HB2' ' A' ' 61' ' ' LEU . 90.0 m -104.44 102.57 12.22 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.785 -0.643 . . . . 1.13 109.371 173.539 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 15.0 tppt? -81.06 123.15 28.14 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.895 -0.593 . . . . 1.45 109.804 -178.443 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.491 ' O ' ' HG2' ' A' ' 58' ' ' MET . 89.8 mttt -119.28 122.07 41.05 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 111.899 0.333 . . . . 2.46 111.899 -176.821 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.445 ' HB3' HD23 ' A' ' 8' ' ' LEU . 76.0 m-85 -123.02 137.5 54.93 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.005 -0.739 . . . . 0.63 109.005 168.116 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.519 ' HG3' ' HB3' ' A' ' 57' ' ' ASP . 1.0 OUTLIER -161.4 157.78 25.76 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.955 0.407 . . . . 3.72 111.042 -173.469 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 17.6 m120 -64.81 144.09 57.49 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 108.83 -0.804 . . . . 1.9 108.83 172.043 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.74 141.34 58.8 Favored 'General case' 0 CA--C 1.514 -0.412 0 CA-C-O 121.695 0.759 . . . . 1.18 110.735 -175.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.25 -28.53 68.79 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 114.377 -1.283 . . . . 1.94 111.113 -172.103 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 5.9 m -58.3 -9.14 1.37 Allowed 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 112.759 0.652 . . . . 2.82 112.759 174.58 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 68.52 29.6 72.97 Favored Glycine 0 C--N 1.334 0.419 0 C-N-CA 120.98 -0.629 . . . . 1.96 112.672 179.719 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 30.7 mtpp -106.57 145.08 30.31 Favored Pre-proline 0 C--N 1.324 -0.528 0 CA-C-O 120.801 0.334 . . . . 3.54 110.805 -177.35 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.526 ' O ' ' HB3' ' A' ' 54' ' ' ASP . 74.4 Cg_endo -73.29 147.25 41.65 Favored 'Trans proline' 0 C--O 1.237 0.437 0 C-N-CA 122.915 2.41 . . . . 2.1 111.576 179.608 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.526 ' HB3' ' O ' ' A' ' 53' ' ' PRO . 0.9 OUTLIER 78.52 -41.51 0.3 Allowed 'General case' 0 N--CA 1.467 0.423 0 O-C-N 123.871 0.732 . . . . 2.44 110.491 178.621 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 21.8 mmt180 -67.42 127.65 33.5 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-O 121.644 0.735 . . . . 4.72 111.115 171.671 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.466 ' CE1' ' HB2' ' A' ' 3' ' ' LEU . 83.1 m-85 -126.64 174.06 9.0 Favored 'General case' 0 C--N 1.31 -1.117 0 CA-C-N 114.908 -1.042 . . . . 1.39 109.901 175.572 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.635 ' OD2' ' HA ' ' A' ' 70' ' ' LYS . 16.4 t70 -133.68 146.9 51.27 Favored 'General case' 0 C--N 1.315 -0.892 0 N-CA-C 108.801 -0.814 . . . . 1.1 108.801 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.491 ' HG2' ' O ' ' A' ' 44' ' ' LYS . 1.4 tmt? -149.27 136.85 20.25 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 121.037 -0.265 . . . . 1.22 110.734 -173.335 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.435 ' HG2' ' HA ' ' A' ' 68' ' ' HIS . 47.9 mt-10 -135.74 155.16 50.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.503 0.668 . . . . 1.77 112.534 -176.862 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.567 ' HB2' ' OG1' ' A' ' 67' ' ' THR . 83.1 m-20 -127.77 98.06 5.05 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 114.571 -1.195 . . . . 1.55 109.65 176.786 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.433 ' HB2' ' HB ' ' A' ' 42' ' ' THR . 84.0 mt -96.48 132.45 42.03 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 109.964 -0.384 . . . . 2.22 109.964 177.667 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.649 ' HA ' ' O ' ' A' ' 40' ' ' GLY . 44.4 p -135.42 -154.05 0.55 Allowed 'General case' 0 N--CA 1.448 -0.536 0 CA-C-N 116.543 -0.298 . . . . 1.16 110.4 -176.445 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 47.8 p -106.24 -32.92 7.98 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 121.414 0.626 . . . . 1.14 110.733 179.303 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.482 ' HG3' ' CG1' ' A' ' 35' ' ' VAL . 10.0 mmpt? -106.56 -11.91 15.75 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.865 -0.607 . . . . 2.64 111.327 -174.471 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.498 ' HE3' ' O ' ' A' ' 82' ' ' ALA . 4.5 tmtt? -146.2 -150.67 0.34 Allowed 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.118 0.485 . . . . 2.34 110.808 -176.686 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.419 ' H ' ' HB3' ' A' ' 65' ' ' LYS . 3.8 p30 161.58 123.42 0.0 OUTLIER 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 114.32 -1.309 . . . . 2.12 108.263 -171.285 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.567 ' OG1' ' HB2' ' A' ' 60' ' ' ASN . 49.3 p -136.48 141.07 43.47 Favored 'General case' 0 C--N 1.315 -0.92 0 N-CA-C 108.701 -0.852 . . . . 1.17 108.701 178.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.435 ' HA ' ' HG2' ' A' ' 59' ' ' GLU . 0.4 OUTLIER -138.69 91.44 2.53 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 122.064 0.935 . . . . 2.5 111.666 -169.97 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 2.9 m-70 -68.76 85.72 0.32 Allowed 'General case' 0 C--N 1.313 -0.982 0 CA-C-N 114.806 -1.088 . . . . 0.48 109.66 177.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.635 ' HA ' ' OD2' ' A' ' 57' ' ' ASP . 30.7 mtmt -79.43 118.92 21.76 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.762 0.653 . . . . 2.79 112.762 -175.493 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 9.1 t70 59.06 77.73 0.29 Allowed 'General case' 0 N--CA 1.469 0.518 0 O-C-N 123.875 0.734 . . . . 2.07 111.632 168.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 66.7 p-90 -125.05 163.2 22.88 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.17 -0.468 . . . . 0.51 111.138 -178.705 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.515 ' O ' ' HB3' ' A' ' 76' ' ' GLU . . . -124.71 150.35 46.27 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.964 -0.562 . . . . 1.22 110.276 172.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.596 HD12 ' H ' ' A' ' 74' ' ' LEU . 0.0 OUTLIER -67.55 140.68 56.98 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-O 121.657 0.741 . . . . 2.28 109.788 170.524 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 84.74 2.54 88.62 Favored Glycine 0 C--N 1.312 -0.76 0 CA-C-N 115.021 -0.991 . . . . 0.66 112.09 -169.735 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.515 ' HB3' ' O ' ' A' ' 73' ' ' ALA . 43.0 tt0 -107.17 150.71 26.31 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 121.153 0.501 . . . . 2.37 111.364 -177.208 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.462 ' HG3' ' HG1' ' A' ' 91' ' ' THR . 32.4 tt0 -120.67 118.54 30.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.291 -0.868 . . . . 1.4 109.142 178.866 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 38.5 p90 -139.34 159.7 41.55 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.532 0.206 . . . . 0.69 110.763 -175.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 54.5 tt0 -92.75 152.86 19.25 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.482 -0.326 . . . . 2.38 110.393 178.669 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -166.74 175.9 7.52 Favored 'General case' 0 C--O 1.236 0.36 0 N-CA-C 109.726 -0.472 . . . . 1.26 109.726 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.406 ' HG2' HE22 ' A' ' 87' ' ' GLN . 16.9 mt-10 -80.2 128.57 33.68 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.946 -0.391 . . . . 2.26 109.946 -179.423 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.498 ' O ' ' HE3' ' A' ' 65' ' ' LYS . . . -80.56 153.92 27.78 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 116.041 -0.527 . . . . 1.61 111.428 173.839 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.448 ' H ' HD23 ' A' ' 83' ' ' LEU . 3.1 mm? -58.43 -24.81 61.19 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 122.208 1.004 . . . . 1.98 109.1 171.071 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -81.05 1.76 30.06 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 113.762 -1.563 . . . . 1.55 111.134 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 55.9 m 67.14 42.73 2.26 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 115.356 -0.838 . . . . 1.68 112.316 178.019 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 1.9 p -127.55 160.44 31.54 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.851 -0.613 . . . . 1.5 110.139 173.46 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . 0.466 ' O ' HG21 ' A' ' 107' ' ' VAL . 25.8 mm-40 -91.97 81.08 5.13 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.106 -0.701 . . . . 1.88 109.106 -178.293 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . 0.458 ' CD2' ' HB2' ' A' ' 104' ' ' HIS . 9.6 p-80 -101.75 155.26 18.23 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.276 -0.875 . . . . 1.51 112.637 -160.567 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 20.3 ttmm -72.83 140.8 47.86 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 114.853 -1.067 . . . . 1.95 110.919 176.573 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 63.7 mt -132.66 145.65 34.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 116.139 -0.482 . . . . 1.19 110.401 177.301 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.462 ' HG1' ' HG3' ' A' ' 77' ' ' GLU . 49.1 m -135.28 129.29 33.33 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 116.356 -0.384 . . . . 1.12 109.974 170.842 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -108.51 138.53 44.66 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 108.875 -0.787 . . . . 0.81 108.875 177.214 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -161.02 145.85 13.92 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 110.015 -0.365 . . . . 1.69 110.015 -178.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -88.95 118.3 28.57 Favored 'General case' 0 C--N 1.317 -0.84 0 N-CA-C 109.247 -0.649 . . . . 1.81 109.247 175.683 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 52.4 tttp -92.1 -53.84 4.08 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 108.814 -0.81 . . . . 3.48 108.814 -175.601 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . 0.423 ' C ' ' H ' ' A' ' 98' ' ' ASN . 15.4 m-20 -123.46 163.05 36.75 Favored Pre-proline 0 C--N 1.32 -0.707 0 N-CA-C 108.201 -1.037 . . . . 1.79 108.201 173.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_exo -67.71 4.39 1.42 Allowed 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.998 2.465 . . . . 1.07 112.386 -176.271 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . 0.453 ' C ' ' HZ ' ' A' ' 7' ' ' PHE . 54.6 m-80 -142.58 24.57 1.89 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.521 -0.763 . . . . 2.63 109.975 178.828 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 55.5 m -152.33 108.31 3.37 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 121.22 0.533 . . . . 1.26 111.766 179.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -82.63 151.81 26.15 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 107.884 -1.154 . . . . 1.78 107.884 171.179 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' THR . . . . . 0.451 HG22 ' HG2' ' A' ' 117' ' ' GLU . 19.6 p -129.51 136.17 49.52 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 118.925 0.784 . . . . 1.11 111.507 175.589 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -118.41 103.07 9.42 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.67 -0.695 . . . . 1.31 109.685 174.35 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 36.1 m -85.98 101.92 13.33 Favored 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 108.904 -0.776 . . . . 1.12 108.904 176.587 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' HIS . . . . . 0.458 ' HB2' ' CD2' ' A' ' 88' ' ' HIS . 6.5 p80 -102.92 106.35 16.88 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.696 0.76 . . . . 2.22 110.71 -175.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 10.9 mt -99.17 121.48 49.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 114.41 -1.268 . . . . 1.36 111.695 -174.74 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -62.56 112.74 2.61 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.02 -0.536 . . . . 2.12 110.681 171.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . 0.466 HG21 ' O ' ' A' ' 87' ' ' GLN . 14.6 m -63.67 -18.96 23.23 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 115.507 -0.769 . . . . 2.03 111.782 176.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -73.04 -44.77 60.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.321 0.581 . . . . 2.5 110.208 178.034 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -151.88 102.23 2.85 Favored Pre-proline 0 C--N 1.323 -0.548 0 CA-C-N 115.23 -0.896 . . . . 2.39 109.06 177.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -74.2 19.98 0.42 Allowed 'Trans proline' 0 C--N 1.33 -0.437 0 C-N-CA 123.239 2.626 . . . . 0.91 114.283 -175.059 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 62.7 p -113.46 -7.88 13.41 Favored 'General case' 0 C--N 1.328 -0.327 0 O-C-N 121.931 -0.48 . . . . 1.91 110.659 172.129 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -102.08 29.27 5.17 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 122.101 0.953 . . . . 1.59 109.306 177.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 17.7 m -82.44 -175.36 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 114.88 -1.054 . . . . 2.17 111.699 -172.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . 0.51 ' HG3' ' OH ' ' A' ' 22' ' ' TYR . 0.0 OUTLIER -167.06 170.21 12.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.95 -0.568 . . . . 2.78 110.712 174.744 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 90.5 m -135.77 132.93 37.41 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.063 -0.517 . . . . 1.18 111.126 -178.714 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' TYR . . . . . 0.505 ' HB3' ' SD ' ' A' ' 127' ' ' MET . 36.5 m-85 -91.99 150.84 20.78 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 107.477 -1.305 . . . . 1.49 107.477 172.006 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . 0.451 ' HG2' HG22 ' A' ' 101' ' ' THR . 28.4 mt-10 -131.46 99.77 4.93 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 107.696 -1.224 . . . . 1.53 107.696 174.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 89.8 m-85 -80.57 97.62 7.26 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.682 -175.338 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . 0.484 ' HG3' ' HB ' ' A' ' 126' ' ' VAL . 2.9 ptp180 -102.95 157.94 16.63 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.967 -0.56 . . . . 3.96 110.214 177.769 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 11.6 tpt180 -108.52 114.25 27.92 Favored 'General case' 0 C--N 1.317 -0.825 0 N-CA-C 109.529 -0.545 . . . . 2.25 109.529 176.267 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -114.02 79.53 1.27 Allowed 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.34 -0.615 . . . . 1.08 109.34 179.749 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 81.56 -120.98 5.29 Favored Glycine 0 N--CA 1.444 -0.775 0 CA-C-N 115.433 -0.803 . . . . 1.04 111.661 -177.761 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 23.8 m-20 -93.45 2.34 56.51 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.845 0.355 . . . . 2.31 110.464 -179.725 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . 0.681 ' CD2' ' HB3' ' A' ' 141' ' ' LYS . 95.3 m-85 -112.88 129.86 56.31 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.204 0.526 . . . . 1.17 111.458 -175.265 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -79.57 115.53 19.25 Favored 'General case' 0 N--CA 1.442 -0.834 0 N-CA-C 106.423 -1.695 . . . . 1.66 106.423 169.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . 0.484 ' HB ' ' HG3' ' A' ' 119' ' ' ARG . 86.9 t -109.52 121.61 62.8 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.047 0 C-N-CA 120.231 -0.588 . . . . 1.1 110.551 -170.126 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' MET . . . . . 0.505 ' SD ' ' HB3' ' A' ' 116' ' ' TYR . 44.7 tpp -76.91 122.22 24.55 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 115.16 -0.927 . . . . 1.4 109.249 175.51 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 14.7 tptm -115.88 107.96 15.68 Favored 'General case' 0 C--N 1.312 -1.037 0 N-CA-C 108.413 -0.958 . . . . 2.68 108.413 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' MET . . . . . 0.793 ' HE2' ' CE1' ' A' ' 22' ' ' TYR . 32.9 ttp -136.38 137.78 40.91 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 109.714 -0.476 . . . . 1.66 109.714 -176.486 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 12.1 p -143.28 129.07 19.37 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.295 0.569 . . . . 1.5 111.895 -176.745 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 131' ' ' TRP . . . . . . . . . . . . . 63.4 t-105 -136.36 129.52 31.44 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.09 -0.959 . . . . 0.88 109.69 -178.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 24.8 mtpp 54.98 44.8 27.66 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.237 0.541 . . . . 2.42 111.782 -178.461 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 78.18 -12.18 20.06 Favored Glycine 0 N--CA 1.451 -0.309 0 CA-C-N 115.776 -0.647 . . . . 0.53 113.063 178.347 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 47.0 t -88.74 107.72 18.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-O 120.861 0.362 . . . . 1.13 110.651 -178.122 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -97.18 139.28 33.39 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.027 -0.533 . . . . 1.64 111.062 178.644 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 3.9 t -131.62 133.69 45.21 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.803 -0.635 . . . . 1.1 110.114 176.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 69.6 m -112.06 123.85 51.14 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.865 -0.42 . . . . 1.06 109.865 175.198 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 138' ' ' ARG . . . . . 0.463 ' HE ' ' HH ' ' A' ' 140' ' ' TYR . 15.7 ttp-105 -116.78 128.98 55.81 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 109.602 -0.518 . . . . 2.41 109.602 -179.13 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 53.6 m-85 -100.53 114.39 27.98 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.884 -0.598 . . . . 1.03 111.296 -167.419 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 140' ' ' TYR . . . . . 0.463 ' HH ' ' HE ' ' A' ' 138' ' ' ARG . 94.4 m-85 -108.67 146.46 33.41 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.324 -0.853 . . . . 0.92 109.539 177.891 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 141' ' ' LYS . . . . . 0.681 ' HB3' ' CD2' ' A' ' 124' ' ' TYR . 0.0 OUTLIER -137.04 159.93 40.45 Favored 'General case' 0 C--N 1.31 -1.124 0 N-CA-C 107.927 -1.138 . . . . 2.41 107.927 175.862 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 142' ' ' LYS . . . . . 0.608 ' O ' ' HD3' ' A' ' 141' ' ' LYS . 13.2 tmtt? -44.8 153.35 0.18 Allowed 'General case' 0 CA--C 1.553 1.06 0 CA-C-O 121.421 0.629 . . . . 2.59 112.59 -174.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . 0.424 ' N ' ' HD3' ' A' ' 142' ' ' LYS . 41.8 mm-40 . . . . . 0 C--O 1.247 0.947 0 O-C-N 121.094 -1.004 . . . . 1.74 111.239 168.387 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 29.6 m . . . . . 0 N--CA 1.447 -0.606 0 N-CA-C 108.232 -1.025 . . . . 1.44 108.232 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.53 ' HB2' ' CE1' ' A' ' 56' ' ' TYR . 2.7 mt -61.68 119.88 51.44 Favored Pre-proline 0 CA--C 1.516 -0.359 0 CA-C-O 120.712 0.291 . . . . 1.33 110.831 -177.571 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_endo -72.17 140.01 33.44 Favored 'Trans proline' 0 N--CA 1.451 -1.008 0 C-N-CA 122.074 1.849 . . . . 0.81 110.88 175.604 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . 0.422 ' HA ' HD13 ' A' ' 8' ' ' LEU . 7.3 t70 -51.83 -25.99 8.94 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 114.915 -1.039 . . . . 2.19 112.164 -176.157 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp -44.15 -45.64 8.37 Favored 'General case' 0 CA--C 1.531 0.242 0 N-CA-C 112.415 0.524 . . . . 3.1 112.415 174.202 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 49.3 m-85 -91.8 5.91 48.09 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.811 -0.356 . . . . 0.74 111.827 -172.362 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.422 HD13 ' HA ' ' A' ' 5' ' ' ASP . 97.1 mt -101.68 135.6 42.93 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.452 0.644 . . . . 1.12 111.657 -174.235 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 139.85 174.07 13.55 Favored Glycine 0 N--CA 1.442 -0.902 0 CA-C-N 114.706 -1.133 . . . . 0.52 111.282 -177.202 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 7.1 m -110.42 132.67 53.97 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 109.616 -0.513 . . . . 1.62 109.616 177.006 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.595 ' HA ' ' HA ' ' A' ' 142' ' ' LYS . 14.6 m-85 -128.02 138.91 52.77 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 111.761 0.282 . . . . 0.57 111.761 -173.895 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' ' 141' ' ' LYS . 47.8 mtpt -77.65 -167.57 0.99 Allowed 'General case' 0 CA--C 1.532 0.279 0 CA-C-O 120.968 0.413 . . . . 2.65 109.984 168.326 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 52.7 tp -129.4 117.56 20.77 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.174 -0.676 . . . . 1.79 109.174 -176.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -106.52 -44.63 4.45 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 120.55 -0.46 . . . . 2.08 112.228 -173.371 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 10.5 tpt180 -142.78 154.33 44.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.239 0.543 . . . . 3.92 111.915 -173.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -142.06 147.36 36.67 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.492 -0.776 . . . . 1.19 109.232 173.683 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 32.1 mm-40 -138.41 126.35 22.54 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.646 -0.252 . . . . 2.66 110.94 -175.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 62.9 t30 70.03 23.2 5.45 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-O 121.698 0.761 . . . . 0.97 110.676 176.1 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 39.8 t80 -76.8 -39.74 50.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.46 -0.791 . . . . 0.64 111.353 -173.602 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -56.75 -51.01 70.52 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.904 0.383 . . . . 2.04 110.103 176.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 31.1 mm-40 -53.33 -42.61 66.9 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-N 115.578 -0.737 . . . . 1.79 110.855 177.784 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.66 ' CE1' ' HE2' ' A' ' 129' ' ' MET . 89.1 t80 -60.42 -40.7 92.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.912 -0.585 . . . . 1.12 111.136 177.264 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 76.4 mt -64.71 -38.78 92.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.725 0.297 . . . . 1.13 110.497 -178.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 54.6 mttm -61.73 -47.83 83.46 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.439 0.637 . . . . 2.43 109.754 177.564 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.17 -40.44 89.96 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 114.764 -1.107 . . . . 1.2 111.418 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.412 HH11 ' HD2' ' A' ' 26' ' ' ARG . 12.0 mmm180 -70.79 -13.79 62.18 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.951 -0.568 . . . . 1.71 111.745 -179.074 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 95.79 26.26 11.97 Favored Glycine 0 N--CA 1.446 -0.679 0 C-N-CA 120.44 -0.886 . . . . 0.62 112.702 177.351 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 71.5 m-85 -96.13 122.06 38.57 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.009 0.433 . . . . 0.99 110.301 178.169 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -83.48 -168.52 43.55 Favored Glycine 0 N--CA 1.446 -0.695 0 CA-C-N 115.516 -0.766 . . . . 1.54 111.829 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.479 ' O ' ' HG2' ' A' ' 34' ' ' GLN . 66.9 t90 -53.06 -47.25 68.61 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 112.337 0.495 . . . . 1.31 112.337 -175.733 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.52 HD13 ' H ' ' A' ' 31' ' ' ILE . 3.6 mp -55.12 -60.23 1.79 Allowed 'Isoleucine or valine' 0 CA--C 1.503 -0.828 0 CA-C-O 121.416 0.627 . . . . 2.68 110.294 -174.274 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.513 ' O ' HG13 ' A' ' 36' ' ' ILE . 62.6 mmm -64.47 -32.1 73.59 Favored 'General case' 0 N--CA 1.427 -1.601 0 CA-C-N 115.157 -0.929 . . . . 1.16 110.763 -175.788 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 18.7 ttp180 -67.24 -28.94 68.47 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.908 -0.587 . . . . 2.48 110.293 -177.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.591 ' O ' HD22 ' A' ' 38' ' ' LEU . 12.5 mm100 -78.45 -25.94 46.05 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.978 -0.555 . . . . 2.4 111.119 176.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 90.7 t -85.49 -62.16 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-O 120.83 0.348 . . . . 1.33 110.79 178.112 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.513 HG13 ' O ' ' A' ' 32' ' ' MET . 56.0 mt -48.03 -44.38 11.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.234 -0.894 . . . . 1.25 113.192 -178.419 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 46.4 mtmt -74.53 -29.37 61.36 Favored 'General case' 0 N--CA 1.467 0.405 0 O-C-N 121.955 -0.466 . . . . 1.62 111.769 -178.607 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.591 HD22 ' O ' ' A' ' 34' ' ' GLN . 3.9 mm? -96.36 22.29 8.01 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.198 0.523 . . . . 2.6 110.425 -176.892 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -115.63 123.61 48.84 Favored 'General case' 0 N--CA 1.443 -0.787 0 CA-C-N 115.612 -0.722 . . . . 1.15 110.126 177.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -82.88 161.65 40.2 Favored Glycine 0 N--CA 1.444 -0.802 0 N-CA-C 110.409 -1.077 . . . . 0.84 110.409 174.062 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.524 ' HB ' ' CG2' ' A' ' 62' ' ' THR . 0.5 OUTLIER -153.98 139.3 10.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-O 121.34 0.591 . . . . 1.88 111.464 -176.853 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 58.9 m -113.26 122.42 47.4 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 114.997 -1.001 . . . . 1.13 110.121 -178.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.597 ' HE2' ' SD ' ' A' ' 127' ' ' MET . 39.1 mmtm -87.18 130.27 34.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.352 -0.386 . . . . 1.45 110.151 178.292 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.441 ' O ' ' HA ' ' A' ' 58' ' ' MET . 41.2 ttmt -131.23 101.64 5.65 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.619 0.247 . . . . 2.46 111.338 -176.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 80.8 m-85 -108.62 130.78 55.31 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 108.858 -0.793 . . . . 0.63 108.858 177.212 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.453 ' HG3' ' HB3' ' A' ' 57' ' ' ASP . 33.7 ptt180 -161.67 172.33 16.44 Favored 'General case' 0 C--N 1.318 -0.791 0 C-N-CA 120.925 -0.31 . . . . 3.72 110.864 -177.322 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 24.8 m-80 -66.55 157.99 30.89 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.363 -0.606 . . . . 1.9 109.363 171.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.438 ' HB2' ' O ' ' A' ' 55' ' ' ARG . . . -59.03 161.79 4.8 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.069 0.396 . . . . 1.18 112.069 -176.443 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -41.4 -60.0 1.41 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.532 -0.758 . . . . 1.94 112.745 179.448 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 48.5 t -64.36 -39.12 93.25 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.412 0.625 . . . . 2.82 109.346 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 112.05 46.66 0.75 Allowed Glycine 0 N--CA 1.452 -0.236 0 CA-C-N 115.302 -0.863 . . . . 1.96 112.259 176.012 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 57.1 mtpt -94.26 147.57 33.58 Favored Pre-proline 0 C--N 1.321 -0.664 0 CA-C-O 120.741 0.305 . . . . 3.54 110.809 -176.494 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -74.68 148.09 36.34 Favored 'Trans proline' 0 N--CA 1.458 -0.615 0 C-N-CA 122.45 2.1 . . . . 2.1 111.11 174.804 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 67.92 -1.81 1.62 Allowed 'General case' 0 N--CA 1.475 0.781 0 CA-C-N 116.256 -0.429 . . . . 2.44 111.155 178.156 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.438 ' O ' ' HB2' ' A' ' 48' ' ' ALA . 0.1 OUTLIER -124.91 111.13 15.09 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.813 -1.181 . . . . 4.72 107.813 176.737 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.53 ' CE1' ' HB2' ' A' ' 3' ' ' LEU . 96.5 m-85 -118.15 175.99 5.43 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-O 121.418 0.627 . . . . 1.39 112.148 -170.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.453 ' HB3' ' HG3' ' A' ' 46' ' ' ARG . 13.7 t70 -128.55 130.3 47.21 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 114.816 -1.084 . . . . 1.1 108.675 -179.049 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.441 ' HA ' ' O ' ' A' ' 44' ' ' LYS . 10.6 tpt -135.49 124.39 24.09 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 120.826 0.346 . . . . 1.22 110.53 -175.84 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.539 ' HG3' ' O ' ' A' ' 67' ' ' THR . 39.5 tt0 -132.32 145.76 51.5 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 121.029 0.442 . . . . 1.77 111.424 -174.025 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.457 ' HB2' ' OG1' ' A' ' 67' ' ' THR . 47.6 m-80 -124.37 104.64 8.89 Favored 'General case' 0 CA--C 1.517 -0.314 0 CA-C-N 115.7 -0.682 . . . . 1.55 109.772 177.62 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.456 ' O ' ' HA ' ' A' ' 41' ' ' VAL . 87.3 mt -97.37 122.43 40.4 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 116.2 -0.455 . . . . 2.22 110.263 178.881 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.524 ' CG2' ' HB ' ' A' ' 41' ' ' VAL . 44.1 p -126.03 -163.99 1.27 Allowed 'General case' 0 N--CA 1.442 -0.841 0 N-CA-C 110.033 -0.358 . . . . 1.16 110.033 -177.528 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 72.2 p -95.85 -22.4 17.49 Favored 'General case' 0 C--N 1.314 -0.948 0 CA-C-O 121.18 0.514 . . . . 1.14 110.646 -178.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 73.7 mmtt -116.25 -15.72 11.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.778 -0.646 . . . . 2.64 111.708 -175.411 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.459 ' HB2' ' HG1' ' A' ' 62' ' ' THR . 29.5 mmmt -137.9 -156.08 0.66 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.205 0.526 . . . . 2.34 112.218 -171.35 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 7.1 t70 167.46 130.29 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 114.351 -1.295 . . . . 2.12 108.47 -170.684 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.543 HG21 ' O ' ' A' ' 81' ' ' GLU . 75.2 p -144.58 140.46 28.78 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 108.967 -0.753 . . . . 1.17 108.967 -178.802 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 7.5 t-160 -136.05 93.8 2.97 Favored 'General case' 0 C--N 1.321 -0.657 0 C-N-CA 120.311 -0.556 . . . . 2.5 110.76 -176.299 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.487 ' HD1' ' CG ' ' A' ' 80' ' ' ASP . 8.7 m-70 -75.43 86.11 2.57 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 108.455 -0.942 . . . . 0.48 108.455 175.507 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -86.94 122.34 30.65 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 112.426 0.528 . . . . 2.79 112.426 -175.444 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.7 t70 59.94 72.15 0.54 Allowed 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 114.863 -1.062 . . . . 2.07 111.476 172.358 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 68.9 p-90 -119.98 152.85 36.84 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.89 -0.595 . . . . 0.51 110.535 178.119 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -118.72 155.14 31.6 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 116.37 -0.377 . . . . 1.22 110.464 177.05 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.505 ' CD2' HD21 ' A' ' 94' ' ' LEU . 4.2 mp -58.46 138.09 56.9 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.335 0.588 . . . . 2.28 111.288 173.066 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 77.38 7.56 87.0 Favored Glycine 0 N--CA 1.448 -0.502 0 CA-C-N 115.033 -0.985 . . . . 0.66 112.413 -176.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -100.49 148.93 24.22 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.069 0.462 . . . . 2.37 110.619 -177.33 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.506 ' HA ' ' O ' ' A' ' 90' ' ' ILE . 40.5 tt0 -123.19 114.98 21.01 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.205 -0.907 . . . . 1.4 108.817 -179.608 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 38.2 p90 -129.24 153.99 47.23 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 116.586 -0.279 . . . . 0.69 110.957 -174.558 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 28.4 tt0 -83.96 142.29 30.62 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.43 -0.581 . . . . 2.38 109.43 176.048 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . 0.487 ' CG ' ' HD1' ' A' ' 69' ' ' HIS . 6.3 t70 -149.02 169.25 21.05 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.753 0.311 . . . . 1.26 110.806 -171.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.543 ' O ' HG21 ' A' ' 67' ' ' THR . 24.3 mt-10 -109.41 85.99 2.2 Favored 'General case' 0 CA--C 1.515 -0.376 0 N-CA-C 108.806 -0.813 . . . . 2.26 108.806 -179.483 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -80.33 174.85 11.19 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 113.763 1.023 . . . . 1.61 113.763 -164.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.473 ' H ' HD21 ' A' ' 83' ' ' LEU . 3.0 mm? -55.39 -33.81 63.79 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 121.537 0.684 . . . . 1.98 110.073 179.392 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 5.1 p30 -71.26 0.75 7.23 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 114.726 -1.125 . . . . 1.55 111.786 -177.605 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 37.1 m 66.81 27.25 9.2 Favored 'General case' 0 C--O 1.234 0.276 0 N-CA-C 112.421 0.526 . . . . 1.68 112.421 173.703 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.542 ' OG1' ' HD2' ' A' ' 88' ' ' HIS . 21.0 p -122.46 164.66 17.67 Favored 'General case' 0 C--O 1.24 0.596 0 C-N-CA 120.803 -0.359 . . . . 1.5 110.945 174.707 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 23.2 mm-40 -105.3 88.43 2.85 Favored 'General case' 0 CA--C 1.511 -0.522 0 N-CA-C 108.992 -0.744 . . . . 1.88 108.992 -175.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . 0.571 ' HB2' ' O ' ' A' ' 105' ' ' ILE . 21.1 p80 -132.5 175.34 9.38 Favored 'General case' 0 C--N 1.313 -1.013 0 C-N-CA 119.866 -0.734 . . . . 1.51 111.633 -168.259 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 60.3 pttt -84.23 149.7 25.94 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.751 -0.659 . . . . 1.95 110.639 -174.562 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.506 ' O ' ' HA ' ' A' ' 77' ' ' GLU . 47.5 mt -142.54 136.62 27.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.303 -0.862 . . . . 1.19 110.347 -177.375 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 28.8 m -120.37 138.75 53.57 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.462 -0.335 . . . . 1.12 110.704 176.648 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.421 ' CE1' ' HG3' ' A' ' 102' ' ' GLU . 7.3 m-85 -119.83 138.9 53.1 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.93 -0.577 . . . . 0.81 109.534 176.499 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.445 ' O ' HD11 ' A' ' 100' ' ' LEU . 8.2 p-10 -171.58 173.51 4.67 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.735 0.302 . . . . 1.69 110.384 -179.411 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.505 HD21 ' CD2' ' A' ' 74' ' ' LEU . 1.5 mm? -100.67 119.15 38.16 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.993 0.425 . . . . 1.81 110.093 179.802 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -88.13 -49.89 6.73 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.44 -0.8 . . . . 3.48 109.497 -176.642 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . 0.419 ' C ' ' H ' ' A' ' 98' ' ' ASN . 8.2 m-20 -129.68 166.59 24.86 Favored Pre-proline 0 C--N 1.32 -0.705 0 N-CA-C 108.053 -1.091 . . . . 1.79 108.053 177.056 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_exo -65.68 6.63 0.41 Allowed 'Trans proline' 0 N--CA 1.476 0.462 0 C-N-CA 123.031 2.487 . . . . 1.07 113.151 -176.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . 0.419 ' H ' ' C ' ' A' ' 96' ' ' ASP . 65.6 t30 -150.98 26.49 0.72 Allowed 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.561 -0.533 . . . . 2.63 109.561 175.848 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 28.0 m -141.63 107.05 5.02 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 116.169 -0.469 . . . . 1.26 111.575 -177.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.469 ' HB3' ' HB2' ' A' ' 118' ' ' TYR . 18.2 tp -92.57 130.18 38.29 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.265 -0.643 . . . . 1.78 109.265 173.691 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' THR . . . . . 0.465 HG22 ' HG2' ' A' ' 117' ' ' GLU . 0.8 OUTLIER -110.53 137.31 48.39 Favored 'General case' 0 C--N 1.32 -0.68 0 O-C-N 121.542 -0.724 . . . . 1.11 112.587 -174.355 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.421 ' HG3' ' CE1' ' A' ' 92' ' ' PHE . 25.5 tt0 -111.08 103.93 12.42 Favored 'General case' 0 N--CA 1.454 -0.24 0 N-CA-C 108.665 -0.865 . . . . 1.31 108.665 167.584 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 54.6 m -99.15 107.42 19.77 Favored 'General case' 0 C--N 1.316 -0.858 0 N-CA-C 109.153 -0.684 . . . . 1.12 109.153 178.199 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' HIS . . . . . 0.532 ' CE1' ' HB3' ' A' ' 114' ' ' GLU . 21.1 p80 -113.55 120.95 42.74 Favored 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 120.211 -0.596 . . . . 2.22 111.257 -175.643 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.571 ' O ' ' HB2' ' A' ' 88' ' ' HIS . 37.2 mt -113.63 125.72 70.96 Favored 'Isoleucine or valine' 0 C--O 1.238 0.462 0 CA-C-N 115.119 -0.946 . . . . 1.36 110.56 -178.618 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . 0.521 ' HA ' ' CB ' ' A' ' 88' ' ' HIS . 97.5 mttt -62.58 121.94 14.57 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.515 -0.766 . . . . 2.12 111.191 176.013 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 5.3 m -58.39 -26.68 31.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 114.75 -1.114 . . . . 2.03 111.166 176.005 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -84.23 -59.13 2.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.567 -0.742 . . . . 2.5 110.504 178.563 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . 0.483 ' O ' ' HB2' ' A' ' 106' ' ' LYS . 20.4 m-20 -120.85 92.92 48.56 Favored Pre-proline 0 C--N 1.327 -0.39 0 CA-C-N 116.133 -0.485 . . . . 2.39 110.906 -179.212 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_endo -69.13 -5.27 15.41 Favored 'Trans proline' 0 N--CA 1.463 -0.314 0 C-N-CA 123.093 2.529 . . . . 0.91 111.657 176.216 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 16.9 p -73.81 -28.38 61.6 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 115.058 -0.974 . . . . 1.91 110.141 176.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -104.3 54.49 0.73 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.539 0.685 . . . . 1.59 110.354 -179.405 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.447 ' CG2' HG12 ' A' ' 105' ' ' ILE . 8.2 p -71.19 159.08 5.9 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.004 0 CA-C-N 115.334 -0.848 . . . . 2.17 110.52 174.887 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . 0.532 ' HB3' ' CE1' ' A' ' 104' ' ' HIS . 29.1 tt0 -154.35 149.72 27.19 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.561 -0.533 . . . . 2.78 109.561 175.458 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 84.8 m -134.56 131.14 37.56 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.236 0.541 . . . . 1.18 111.326 -177.62 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 17.0 m-85 -102.31 149.83 23.94 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 108.268 -1.012 . . . . 1.49 108.268 175.268 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . 0.465 ' HG2' HG22 ' A' ' 101' ' ' THR . 33.0 mt-10 -133.28 126.15 30.82 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.21 -1.033 . . . . 1.53 108.21 -176.749 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . 0.469 ' HB2' ' HB3' ' A' ' 100' ' ' LEU . 64.5 m-85 -108.1 113.21 26.19 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-O 120.733 0.302 . . . . 1.0 111.318 -173.584 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 31.9 mtm180 -116.34 161.95 18.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.864 -0.607 . . . . 3.96 110.183 178.096 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 11.7 mmm-85 -114.42 134.86 54.68 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.833 0.349 . . . . 2.25 111.16 173.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' ASP . . . . . 0.449 ' HB3' HG23 ' A' ' 126' ' ' VAL . 32.2 t70 -151.57 97.5 2.39 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.432 -0.803 . . . . 1.08 109.2 175.343 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 74.09 -144.65 33.76 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.794 -0.717 . . . . 1.04 111.47 -176.659 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -85.81 29.59 0.7 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.983 0.897 . . . . 2.31 109.749 178.467 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . 0.45 ' CZ ' ' HE3' ' A' ' 141' ' ' LYS . 20.0 m-85 -122.76 132.18 54.11 Favored 'General case' 0 CA--C 1.51 -0.568 0 CA-C-N 115.363 -0.835 . . . . 1.17 111.295 -177.265 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . 0.479 ' HB3' ' HB2' ' A' ' 140' ' ' TYR . 3.0 tm? -82.36 103.95 12.3 Favored 'General case' 0 N--CA 1.44 -0.947 0 N-CA-C 106.422 -1.695 . . . . 1.66 106.422 164.22 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . 0.449 HG23 ' HB3' ' A' ' 121' ' ' ASP . 92.4 t -92.21 96.43 6.25 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 CA-C-O 121.957 0.884 . . . . 1.1 109.19 -173.29 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' MET . . . . . 0.597 ' SD ' ' HE2' ' A' ' 43' ' ' LYS . 20.6 ttt -90.25 142.03 28.12 Favored 'General case' 0 C--N 1.305 -1.358 0 CA-C-N 114.144 -1.389 . . . . 1.4 109.428 -175.612 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . 0.429 ' HB3' ' HB2' ' A' ' 117' ' ' GLU . 77.6 tttt -128.45 139.73 52.2 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-O 120.922 0.391 . . . . 2.68 110.14 -175.54 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' MET . . . . . 0.66 ' HE2' ' CE1' ' A' ' 22' ' ' TYR . 45.8 mtp -136.8 132.1 34.23 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 108.399 -0.963 . . . . 1.66 108.399 178.46 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' SER . . . . . 0.52 ' HA ' ' O ' ' A' ' 134' ' ' VAL . 10.3 p -138.46 127.18 23.58 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.364 0.602 . . . . 1.5 111.78 -179.415 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 131' ' ' TRP . . . . . 0.508 ' CD1' ' HG2' ' A' ' 132' ' ' LYS . 46.3 t-105 -146.76 134.49 21.14 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.153 -0.93 . . . . 0.88 109.656 177.785 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . 0.508 ' HG2' ' CD1' ' A' ' 131' ' ' TRP . 75.0 mmtt 54.72 41.16 32.12 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 123.717 0.636 . . . . 2.42 111.186 -175.889 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 75.84 -6.99 30.1 Favored Glycine 0 CA--C 1.519 0.291 0 CA-C-N 115.823 -0.626 . . . . 0.53 112.975 179.72 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . 0.52 ' O ' ' HA ' ' A' ' 130' ' ' SER . 33.4 t -85.53 105.65 14.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.861 0.331 . . . . 1.13 110.421 -179.246 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -98.51 124.3 43.17 Favored 'General case' 0 N--CA 1.443 -0.798 0 CA-C-O 121.363 0.601 . . . . 1.64 110.794 177.163 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 136' ' ' THR . . . . . 0.47 ' CG2' ' HB2' ' A' ' 129' ' ' MET . 4.6 t -115.95 137.09 52.43 Favored 'General case' 0 C--N 1.309 -1.165 0 CA-C-N 115.097 -0.956 . . . . 1.1 109.905 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 4.1 p -101.18 120.34 40.09 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.658 0.742 . . . . 1.06 110.058 177.234 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 138' ' ' ARG . . . . . 0.541 ' HB3' ' HB3' ' A' ' 127' ' ' MET . 12.8 tpt180 -104.78 96.2 6.4 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-N 114.972 -1.013 . . . . 2.41 108.675 -177.659 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 77.6 m-85 -84.95 108.12 17.41 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.394 0.616 . . . . 1.03 111.843 -172.439 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 140' ' ' TYR . . . . . 0.479 ' HB2' ' HB3' ' A' ' 125' ' ' LEU . 52.2 m-85 -96.8 128.43 43.75 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.184 -0.916 . . . . 0.92 110.451 178.201 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 141' ' ' LYS . . . . . 0.453 ' O ' ' N ' ' A' ' 12' ' ' LYS . 3.1 tppp? -103.1 127.16 50.47 Favored 'General case' 0 C--O 1.208 -1.125 0 N-CA-C 107.222 -1.399 . . . . 2.41 107.222 177.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 142' ' ' LYS . . . . . 0.595 ' HA ' ' HA ' ' A' ' 11' ' ' PHE . 80.8 tttt -47.63 167.48 0.02 OUTLIER 'General case' 0 CA--C 1.548 0.877 0 N-CA-C 113.568 0.951 . . . . 2.59 113.568 -171.172 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . 0.469 ' HA ' HE21 ' A' ' 143' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--O 1.248 0.987 0 O-C-N 121.346 -0.846 . . . . 1.74 109.988 166.14 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 7.1 m . . . . . 0 N--CA 1.449 -0.478 0 CA-C-O 120.83 0.347 . . . . 1.44 110.583 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.524 ' HB2' ' CE1' ' A' ' 56' ' ' TYR . 0.6 OUTLIER -66.33 120.4 69.89 Favored Pre-proline 0 C--N 1.324 -0.521 0 CA-C-N 115.579 -0.737 . . . . 1.33 110.961 -176.048 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_exo -56.22 121.2 9.58 Favored 'Trans proline' 0 N--CA 1.458 -0.613 0 C-N-CA 122.538 2.159 . . . . 0.81 110.654 172.482 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . 0.443 ' HA ' HD11 ' A' ' 8' ' ' LEU . 26.8 t70 -53.11 -23.01 7.0 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 115.949 -0.569 . . . . 2.19 111.453 -179.118 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.488 ' O ' ' HD3' ' A' ' 120' ' ' ARG . 0.1 OUTLIER -55.88 -24.71 38.83 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.796 -0.638 . . . . 3.1 111.872 177.74 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 28.0 m-85 -95.15 -4.36 46.22 Favored 'General case' 0 CA--C 1.519 -0.237 0 O-C-N 121.933 -0.479 . . . . 0.74 110.969 179.75 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.454 ' HA ' ' HB2' ' A' ' 45' ' ' PHE . 87.7 mt -95.83 155.76 16.62 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.987 0.423 . . . . 1.12 111.286 -170.856 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 125.28 177.58 14.96 Favored Glycine 0 N--CA 1.442 -0.912 0 CA-C-N 115.572 -0.74 . . . . 0.52 112.313 179.224 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.449 HG23 ' HG2' ' A' ' 44' ' ' LYS . 1.7 m -101.31 125.87 48.0 Favored 'General case' 0 N--CA 1.447 -0.606 0 N-CA-C 109.14 -0.689 . . . . 1.62 109.14 175.652 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 73.1 m-85 -118.53 126.96 53.12 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 113.017 0.747 . . . . 0.57 113.017 -174.015 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.578 ' CG ' HE21 ' A' ' 143' ' ' GLN . 48.7 mtmt -70.02 -176.74 1.18 Allowed 'General case' 0 C--N 1.352 0.702 0 CA-C-O 121.117 0.484 . . . . 2.65 110.463 167.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.2 tt -127.44 114.6 17.71 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.126 -1.064 . . . . 1.79 108.126 -178.046 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -91.3 -49.04 6.57 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.809 -0.356 . . . . 2.08 111.036 -176.73 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 11.0 ptm180 -166.32 -167.76 1.09 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.981 0.42 . . . . 3.92 111.109 -176.035 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -144.99 -174.65 4.42 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.977 -0.556 . . . . 1.19 110.281 -178.648 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -154.71 108.07 2.86 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.972 -0.558 . . . . 2.66 110.037 177.601 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 4.4 t30 69.09 29.46 4.72 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-O 122.001 0.905 . . . . 0.97 110.577 175.154 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.423 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 36.5 t80 -71.52 -43.16 66.96 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.249 -0.887 . . . . 0.64 111.502 -173.199 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -59.24 -44.72 92.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.668 0.271 . . . . 2.04 111.197 179.784 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -62.6 -36.01 81.36 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.48 -0.327 . . . . 1.79 111.303 179.499 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.618 ' CE1' ' HE2' ' A' ' 129' ' ' MET . 58.8 t80 -61.2 -37.79 84.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.969 0.414 . . . . 1.12 110.535 173.763 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.423 ' HG ' ' O ' ' A' ' 19' ' ' PHE . 85.1 mt -65.52 -38.76 90.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 1.13 110.257 -178.653 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 26.0 mtpp -62.32 -47.61 83.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.868 -0.605 . . . . 2.43 109.98 177.418 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.47 -44.75 85.1 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.36 -0.836 . . . . 1.2 111.208 179.298 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.508 ' NH2' ' HB2' ' A' ' 114' ' ' GLU . 18.0 mmm180 -67.7 -9.91 47.8 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 116.167 -0.469 . . . . 1.71 112.046 -177.671 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 101.88 5.7 50.26 Favored Glycine 0 N--CA 1.444 -0.786 0 C-N-CA 120.574 -0.822 . . . . 0.62 112.776 176.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 72.7 m-85 -80.13 121.51 25.65 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.802 0.334 . . . . 0.99 110.143 179.555 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.445 ' O ' ' HG3' ' A' ' 33' ' ' ARG . . . -79.08 -170.69 39.34 Favored Glycine 0 N--CA 1.445 -0.739 0 C-N-CA 120.95 -0.643 . . . . 1.54 111.927 178.784 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.519 ' O ' ' HG2' ' A' ' 34' ' ' GLN . 45.9 t90 -50.61 -45.48 57.57 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 122.6 0.36 . . . . 1.31 111.817 -177.897 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.58 HD11 ' H ' ' A' ' 31' ' ' ILE . 3.7 mp -54.08 -59.31 2.14 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.8 0 CA-C-O 121.455 0.645 . . . . 2.68 110.251 -175.417 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.493 ' O ' HG13 ' A' ' 36' ' ' ILE . 74.1 mmm -65.56 -36.07 82.72 Favored 'General case' 0 N--CA 1.428 -1.549 0 CA-C-N 114.818 -1.083 . . . . 1.16 111.077 -175.057 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.445 ' HG3' ' O ' ' A' ' 29' ' ' GLY . 52.7 mtm180 -61.37 -26.0 67.54 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.593 -0.276 . . . . 2.48 111.223 179.124 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.519 ' HG2' ' O ' ' A' ' 30' ' ' TRP . 30.1 mm-40 -73.45 -48.38 34.1 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.787 -0.449 . . . . 2.4 109.787 175.264 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 88.3 t -68.21 -59.65 3.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.763 -0.653 . . . . 1.33 111.536 -174.001 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.493 HG13 ' O ' ' A' ' 32' ' ' MET . 44.8 mt -48.09 -36.55 6.13 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.434 0 N-CA-C 113.379 0.881 . . . . 1.25 113.379 -178.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 47.0 mtmt -77.57 -20.34 54.21 Favored 'General case' 0 C--N 1.33 -0.277 0 O-C-N 122.062 -0.399 . . . . 1.62 111.903 -178.404 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.484 ' HG ' ' O ' ' A' ' 34' ' ' GLN . 42.4 mt -88.8 -7.67 55.77 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.991 0.425 . . . . 2.6 110.839 -179.689 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -79.39 97.86 6.52 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.013 -0.539 . . . . 1.15 111.131 -177.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -78.94 56.9 4.32 Favored Glycine 0 N--CA 1.452 -0.239 0 CA-C-N 115.907 -0.588 . . . . 0.84 112.218 178.656 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.523 ' HB ' HG21 ' A' ' 62' ' ' THR . 2.5 p -55.41 147.55 3.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 N-CA-C 113.946 1.091 . . . . 1.88 113.946 -177.264 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 86.2 m -112.11 125.67 54.35 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 114.368 -1.287 . . . . 1.13 109.581 176.728 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.595 ' HE3' ' SD ' ' A' ' 127' ' ' MET . 73.3 mmtt -87.09 136.33 32.96 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.989 -0.374 . . . . 1.45 109.989 178.547 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.481 ' HZ2' ' HB3' ' A' ' 44' ' ' LYS . 6.8 mtpm? -132.31 116.16 16.55 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.591 -0.277 . . . . 2.46 110.593 -179.795 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.454 ' HB2' ' HA ' ' A' ' 8' ' ' LEU . 64.6 m-85 -120.3 143.45 48.34 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 109.156 -0.683 . . . . 0.63 109.156 174.359 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.405 ' HG3' ' HB3' ' A' ' 57' ' ' ASP . 10.5 ptm180 -170.58 171.68 6.25 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.787 0.327 . . . . 3.72 111.007 -179.444 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . 0.513 ' HA ' ' CD2' ' A' ' 56' ' ' TYR . 8.3 p30 -70.19 152.06 44.68 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.647 -0.871 . . . . 1.9 108.647 170.111 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.499 ' HA ' ' HB2' ' A' ' 57' ' ' ASP . . . -49.92 131.03 22.55 Favored 'General case' 0 CA--C 1.516 -0.363 0 CA-C-O 121.606 0.717 . . . . 1.18 111.841 -173.313 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.37 -39.2 89.79 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 113.836 -1.529 . . . . 1.94 112.425 -168.739 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 12.2 p -74.15 12.62 0.69 Allowed 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 112.234 0.457 . . . . 2.82 112.234 -179.337 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 71.3 20.34 78.1 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.66 -0.781 . . . . 1.96 111.77 -176.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.411 ' HB3' ' CB ' ' A' ' 48' ' ' ALA . 5.4 tppp? -72.62 118.43 67.84 Favored Pre-proline 0 N--CA 1.444 -0.738 0 N-CA-C 109.62 -0.511 . . . . 3.54 109.62 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.443 ' O ' ' HB3' ' A' ' 54' ' ' ASP . 61.3 Cg_endo -72.19 145.87 44.85 Favored 'Trans proline' 0 C--O 1.237 0.474 0 C-N-CA 122.391 2.06 . . . . 2.1 112.445 -177.518 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.443 ' HB3' ' O ' ' A' ' 53' ' ' PRO . 33.1 t70 82.34 -53.54 0.22 Allowed 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 124.286 1.035 . . . . 2.44 109.968 176.868 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.497 ' HD3' ' OD2' ' A' ' 71' ' ' ASP . 82.8 mtt-85 -67.06 149.66 50.28 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.377 -0.828 . . . . 4.72 112.54 175.014 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.524 ' CE1' ' HB2' ' A' ' 3' ' ' LEU . 66.7 m-85 -122.21 179.02 4.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.468 -0.787 . . . . 1.39 111.132 -179.176 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.54 ' OD2' ' HA ' ' A' ' 70' ' ' LYS . 18.7 t70 -135.58 139.55 43.96 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.693 -0.685 . . . . 1.1 109.489 -177.245 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.553 ' HE2' ' OD1' ' A' ' 60' ' ' ASN . 1.4 tmt? -142.3 139.61 31.92 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.47 -0.567 . . . . 1.22 109.47 -178.271 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.515 ' HG3' ' O ' ' A' ' 67' ' ' THR . 38.3 tt0 -142.31 147.94 37.19 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.263 0.554 . . . . 1.77 111.854 -175.443 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.553 ' OD1' ' HE2' ' A' ' 58' ' ' MET . 41.4 m-80 -125.71 100.9 6.63 Favored 'General case' 0 CA--C 1.515 -0.402 0 CA-C-N 115.276 -0.875 . . . . 1.55 109.247 178.867 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.483 ' O ' ' HA ' ' A' ' 41' ' ' VAL . 63.8 mt -93.49 118.54 31.46 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 116.207 -0.451 . . . . 2.22 109.943 178.845 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.523 HG21 ' HB ' ' A' ' 41' ' ' VAL . 4.3 p -121.88 -164.84 1.19 Allowed 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.719 -0.474 . . . . 1.16 109.719 -175.875 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 74.0 p -100.03 -17.72 17.36 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-O 121.346 0.594 . . . . 1.14 110.602 -178.417 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.507 ' HB3' ' HZ2' ' A' ' 64' ' ' LYS . 2.0 mmmp? -107.05 -39.95 5.59 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.878 -0.601 . . . . 2.64 111.842 -175.682 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.5 ' HD3' ' N ' ' A' ' 66' ' ' ASP . 8.4 tmtm? -158.27 135.03 9.7 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.23 -0.656 . . . . 2.34 109.23 -174.268 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.5 ' N ' ' HD3' ' A' ' 65' ' ' LYS . 22.1 m-20 -108.25 128.13 54.46 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 120.971 0.415 . . . . 2.12 110.284 -177.264 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.586 HG21 ' O ' ' A' ' 81' ' ' GLU . 66.3 p -110.65 144.57 39.37 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.958 -0.564 . . . . 1.17 109.746 -179.204 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 8.0 t-160 -137.85 97.59 3.46 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.164 0.507 . . . . 2.5 109.956 -178.537 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 7.4 m-70 -75.5 84.2 2.58 Favored 'General case' 0 C--N 1.318 -0.787 0 N-CA-C 108.449 -0.945 . . . . 0.48 108.449 176.215 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.54 ' HA ' ' OD2' ' A' ' 57' ' ' ASP . 10.8 ptpt -89.81 127.08 35.91 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.872 -0.604 . . . . 2.79 111.95 -174.614 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.497 ' OD2' ' HD3' ' A' ' 55' ' ' ARG . 13.3 t70 63.84 72.96 0.45 Allowed 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 115.139 -0.937 . . . . 2.07 110.843 173.611 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' TRP . . . . . 0.433 ' HE1' ' N ' ' A' ' 58' ' ' MET . 69.8 p-90 -126.88 161.42 28.3 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.275 -0.421 . . . . 0.51 111.435 179.201 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.513 ' O ' ' HB3' ' A' ' 76' ' ' GLU . . . -126.36 148.51 49.57 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.834 -0.621 . . . . 1.22 109.738 172.721 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.56 HD12 ' H ' ' A' ' 74' ' ' LEU . 0.0 OUTLIER -65.88 144.99 56.46 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 119.398 -0.921 . . . . 2.28 109.518 170.861 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 85.55 -2.63 87.91 Favored Glycine 0 N--CA 1.441 -0.995 0 CA-C-N 115.127 -0.942 . . . . 0.66 111.784 -169.759 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.513 ' HB3' ' O ' ' A' ' 73' ' ' ALA . 43.5 tt0 -105.97 153.16 22.39 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-O 121.206 0.527 . . . . 2.37 111.466 -176.379 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.428 ' HG3' ' HG1' ' A' ' 91' ' ' THR . 39.4 tt0 -128.03 119.15 24.84 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.27 -0.877 . . . . 1.4 108.799 -179.837 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 40.0 p90 -134.19 157.42 46.29 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.728 -0.215 . . . . 0.69 110.655 -173.593 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . 0.411 ' HA ' ' HA ' ' A' ' 89' ' ' LYS . 1.5 mp0 -85.26 152.69 23.13 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.864 -0.335 . . . . 2.38 110.172 176.546 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -153.48 155.16 35.74 Favored 'General case' 0 C--O 1.245 0.836 0 CA-C-N 116.066 -0.516 . . . . 1.26 110.549 -174.584 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.586 ' O ' HG21 ' A' ' 67' ' ' THR . 13.5 pt-20 -91.11 85.13 5.81 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-O 121.921 0.867 . . . . 2.26 108.828 177.801 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -73.54 171.99 12.17 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 114.935 -1.03 . . . . 1.61 113.13 -168.251 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.57 HD22 ' H ' ' A' ' 83' ' ' LEU . 2.0 mm? -54.92 -30.88 59.53 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.012 -0.54 . . . . 1.98 110.581 -177.824 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -85.64 13.4 7.1 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.795 -0.639 . . . . 1.55 111.128 -174.688 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 22.8 t 63.41 47.15 4.03 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 115.411 -0.813 . . . . 1.68 111.212 172.185 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.455 ' O ' ' HA ' ' A' ' 81' ' ' GLU . 20.9 p -132.37 168.58 17.87 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.825 -0.625 . . . . 1.5 110.024 175.657 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . 0.447 HE22 ' HB3' ' A' ' 81' ' ' GLU . 30.0 mm-40 -105.75 56.68 0.67 Allowed 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.177 -0.675 . . . . 1.88 109.177 178.561 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . 0.513 ' CB ' ' HA ' ' A' ' 106' ' ' LYS . 15.9 p80 -93.8 162.78 13.78 Favored 'General case' 0 C--N 1.32 -0.713 0 C-N-CA 119.622 -0.831 . . . . 1.51 111.801 -169.605 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.411 ' HA ' ' HA ' ' A' ' 79' ' ' GLN . 54.6 pttt -84.05 150.72 25.4 Favored 'General case' 0 N--CA 1.44 -0.952 0 CA-C-N 115.567 -0.742 . . . . 1.95 110.409 -172.183 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 59.2 mt -142.77 134.17 24.39 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.074 0 CA-C-N 114.951 -1.022 . . . . 1.19 110.014 -176.309 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.428 ' HG1' ' HG3' ' A' ' 77' ' ' GLU . 13.1 m -113.81 131.99 56.03 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 116.179 -0.464 . . . . 1.12 110.524 178.585 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -107.77 135.65 48.83 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 108.286 -1.005 . . . . 0.81 108.286 173.075 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -158.34 147.36 19.15 Favored 'General case' 0 C--N 1.314 -0.953 0 N-CA-C 109.599 -0.519 . . . . 1.69 109.599 -176.761 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.42 ' CD1' ' HG ' ' A' ' 100' ' ' LEU . 1.5 mp -95.24 121.68 37.15 Favored 'General case' 0 C--N 1.317 -0.815 0 C-N-CA 120.306 -0.557 . . . . 1.81 110.83 178.352 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.56 ' HG3' ' OD1' ' A' ' 96' ' ' ASP . 19.1 tptp -85.29 -47.84 9.66 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-N 115.172 -0.922 . . . . 3.48 108.865 -177.16 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . 0.56 ' OD1' ' HG3' ' A' ' 95' ' ' LYS . 6.1 m-20 -140.74 166.12 25.05 Favored Pre-proline 0 C--N 1.321 -0.66 0 N-CA-C 107.839 -1.171 . . . . 1.79 107.839 175.026 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 15.1 Cg_exo -70.73 6.8 1.48 Allowed 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.822 2.348 . . . . 1.07 112.121 -178.542 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 -137.78 15.61 2.89 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.545 -0.752 . . . . 2.63 109.289 176.601 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 33.0 m -151.6 109.4 3.67 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-O 121.447 0.641 . . . . 1.26 111.964 179.096 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.42 ' HG ' ' CD1' ' A' ' 94' ' ' LEU . 0.6 OUTLIER -84.4 153.58 23.33 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.117 -1.068 . . . . 1.78 108.117 172.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 9.1 p -128.29 131.68 48.69 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 119.096 0.862 . . . . 1.11 111.099 173.731 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 68.6 tt0 -116.33 110.54 18.85 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.911 -0.586 . . . . 1.31 109.589 178.193 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 56.1 m -102.13 118.14 36.26 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.817 0.341 . . . . 1.12 111.017 -177.274 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' HIS . . . . . 0.444 ' HB3' ' CE1' ' A' ' 88' ' ' HIS . 17.2 m170 -98.88 122.89 42.71 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.951 -0.389 . . . . 2.22 109.951 176.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.424 HG22 ' HA ' ' A' ' 110' ' ' PRO . 56.5 mt -124.73 117.35 50.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-O 121.44 0.638 . . . . 1.36 111.051 172.836 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . 0.513 ' HA ' ' CB ' ' A' ' 88' ' ' HIS . 54.0 mttm -60.19 118.41 6.33 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 114.756 -1.111 . . . . 2.12 111.048 176.633 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 11.9 m -65.7 -19.75 26.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.942 -0.572 . . . . 2.03 110.878 177.52 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -79.19 -42.94 24.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.707 -0.679 . . . . 2.5 110.356 176.347 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -144.12 94.58 5.78 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.082 -0.508 . . . . 2.39 109.968 179.462 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . 0.424 ' HA ' HG22 ' A' ' 105' ' ' ILE . 56.3 Cg_endo -71.13 0.76 6.17 Favored 'Trans proline' 0 N--CA 1.462 -0.365 0 C-N-CA 123.033 2.488 . . . . 0.91 112.869 -177.661 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 29.0 p -72.44 -25.87 61.62 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.558 0.694 . . . . 1.91 109.852 173.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . 0.493 ' HB2' ' HD2' ' A' ' 106' ' ' LYS . 4.9 m-20 -94.48 56.28 2.09 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.056 -0.974 . . . . 1.59 111.102 -177.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 15.0 p -65.41 159.6 4.0 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.961 0 CA-C-N 115.97 -0.559 . . . . 2.17 109.786 174.403 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . 0.508 ' HB2' ' NH2' ' A' ' 26' ' ' ARG . 41.1 tt0 -155.24 137.55 14.87 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.511 -0.551 . . . . 2.78 109.511 -176.51 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 39.1 m -130.53 121.67 26.17 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.308 0.575 . . . . 1.18 112.121 -176.765 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' TYR . . . . . 0.671 ' CE1' ' HE1' ' A' ' 129' ' ' MET . 4.5 m-30 -102.01 155.0 18.45 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 106.715 -1.587 . . . . 1.49 106.715 168.333 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . 0.495 ' O ' ' HA ' ' A' ' 127' ' ' MET . 12.6 pt-20 -139.74 122.88 16.86 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 119.319 0.963 . . . . 1.53 109.046 175.287 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -98.03 111.54 23.82 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.282 0.563 . . . . 1.0 111.348 -173.103 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 18.0 ttm180 -114.17 144.7 42.75 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 115.032 -0.986 . . . . 3.96 109.767 178.715 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . 0.488 ' HD3' ' O ' ' A' ' 6' ' ' LYS . 8.6 tpt180 -102.06 101.39 11.74 Favored 'General case' 0 C--N 1.32 -0.697 0 C-N-CA 120.433 -0.507 . . . . 2.25 110.114 179.677 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -97.78 82.2 3.0 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.389 0.614 . . . . 1.08 109.625 179.23 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 71.2 -112.77 4.35 Favored Glycine 0 N--CA 1.444 -0.771 0 CA-C-N 115.121 -0.945 . . . . 1.04 112.399 179.749 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -91.47 -10.16 41.89 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.114 0.483 . . . . 2.31 110.689 -176.517 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 61.5 m-85 -107.93 135.45 49.29 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.116 0.484 . . . . 1.17 111.537 -175.311 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -82.64 113.5 20.38 Favored 'General case' 0 N--CA 1.443 -0.778 0 N-CA-C 107.033 -1.469 . . . . 1.66 107.033 170.45 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 88.9 t -117.66 129.08 74.65 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.009 0 N-CA-C 109.267 -0.642 . . . . 1.1 109.267 -170.648 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' MET . . . . . 0.595 ' SD ' ' HE3' ' A' ' 43' ' ' LYS . 26.2 ptm -128.89 150.32 50.4 Favored 'General case' 0 C--N 1.305 -1.335 0 C-N-CA 120.306 -0.558 . . . . 1.4 110.577 -175.541 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . 0.449 ' HA ' ' O ' ' A' ' 136' ' ' THR . 40.1 ttmt -122.78 133.95 54.44 Favored 'General case' 0 C--N 1.31 -1.135 0 CA-C-N 115.444 -0.798 . . . . 2.68 109.229 -179.107 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' MET . . . . . 0.671 ' HE1' ' CE1' ' A' ' 116' ' ' TYR . 25.8 mtp -126.16 121.45 32.86 Favored 'General case' 0 C--N 1.313 -0.984 0 N-CA-C 107.648 -1.241 . . . . 1.66 107.648 178.43 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 2.6 m -128.9 137.53 51.48 Favored 'General case' 0 C--N 1.321 -0.634 0 C-N-CA 120.051 -0.66 . . . . 1.5 111.813 -173.45 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 131' ' ' TRP . . . . . . . . . . . . . 44.0 t-105 -149.52 133.37 16.97 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.197 -0.911 . . . . 0.88 109.8 175.469 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 67.9 mttm 55.87 33.11 20.96 Favored 'General case' 0 C--N 1.327 -0.382 0 O-C-N 123.532 0.52 . . . . 2.42 111.143 -176.314 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 82.63 -28.21 3.57 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.967 -0.635 . . . . 0.53 112.446 -176.636 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 20.4 t -69.44 106.75 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 121.07 0.462 . . . . 1.13 109.838 -179.487 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 1.6 m -105.91 153.04 22.53 Favored 'General case' 0 N--CA 1.436 -1.148 0 CA-C-N 115.785 -0.643 . . . . 1.64 110.98 -176.206 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 136' ' ' THR . . . . . 0.449 ' O ' ' HA ' ' A' ' 128' ' ' LYS . 9.2 t -135.48 138.18 42.88 Favored 'General case' 0 C--N 1.313 -0.981 0 CA-C-N 115.456 -0.793 . . . . 1.1 110.058 174.652 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 137' ' ' SER . . . . . 0.489 ' HA ' ' O ' ' A' ' 127' ' ' MET . 14.8 m -109.95 106.89 16.6 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 121.36 0.6 . . . . 1.06 109.874 174.524 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 138' ' ' ARG . . . . . 0.403 ' HG2' ' CE2' ' A' ' 140' ' ' TYR . 6.7 tpt180 -83.3 124.91 31.07 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.356 -0.838 . . . . 2.41 108.861 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 88.4 m-85 -98.28 110.47 23.05 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-O 120.859 0.361 . . . . 1.03 111.656 -174.146 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 140' ' ' TYR . . . . . 0.546 ' HE2' ' SD ' ' A' ' 127' ' ' MET . 97.6 m-85 -111.34 143.94 41.32 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.017 -0.538 . . . . 0.92 110.499 174.802 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 141' ' ' LYS . . . . . 0.496 ' HG3' ' O ' ' A' ' 142' ' ' LYS . 17.0 ptpt -118.21 167.78 11.19 Favored 'General case' 0 C--O 1.208 -1.101 0 N-CA-C 107.261 -1.385 . . . . 2.41 107.261 172.779 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 142' ' ' LYS . . . . . 0.496 ' O ' ' HG3' ' A' ' 141' ' ' LYS . 88.2 tttt -56.82 161.64 2.78 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 119.409 1.004 . . . . 2.59 110.443 172.863 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . 0.578 HE21 ' CG ' ' A' ' 12' ' ' LYS . 2.2 mt-30 . . . . . 0 C--O 1.249 1.057 0 O-C-N 121.201 -0.937 . . . . 1.74 109.931 165.34 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.445 -0.69 0 CA-C-O 120.75 0.31 . . . . 1.44 111.296 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.41 HD22 ' HA ' ' A' ' 3' ' ' LEU . 1.6 mt -60.87 125.28 82.91 Favored Pre-proline 0 C--N 1.326 -0.435 0 CA-C-N 115.881 -0.599 . . . . 1.33 111.577 178.472 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_exo -57.33 132.62 52.02 Favored 'Trans proline' 0 N--CA 1.462 -0.329 0 C-N-CA 122.523 2.149 . . . . 0.81 110.815 171.545 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . 0.421 ' HA ' HD11 ' A' ' 8' ' ' LEU . 4.6 p-10 -61.64 -18.01 57.71 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.404 -0.362 . . . . 2.19 111.775 -174.64 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 31.6 mmtp -62.93 -26.13 68.66 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 111.594 0.22 . . . . 3.1 111.594 175.761 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 48.1 m-85 -92.44 -5.8 51.21 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.733 -0.387 . . . . 0.74 109.987 178.505 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.435 HD22 ' HB3' ' A' ' 45' ' ' PHE . 97.8 mt -98.72 155.95 17.08 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-O 121.269 0.557 . . . . 1.12 111.148 -174.827 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 119.05 172.37 15.26 Favored Glycine 0 N--CA 1.441 -0.97 0 CA-C-N 115.255 -0.884 . . . . 0.52 111.681 -179.194 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 6.9 m -98.56 124.01 43.06 Favored 'General case' 0 C--N 1.317 -0.848 0 N-CA-C 109.636 -0.505 . . . . 1.62 109.636 176.568 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 75.7 m-85 -114.06 132.9 55.86 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.252 -0.431 . . . . 0.57 111.552 -175.159 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.604 ' HG2' ' O ' ' A' ' 142' ' ' LYS . 19.9 ptpt -91.78 -161.81 0.86 Allowed 'General case' 0 CA--C 1.535 0.379 0 N-CA-C 109.69 -0.485 . . . . 2.65 109.69 169.14 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.1 tt -131.63 124.97 31.02 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 108.726 -0.842 . . . . 1.79 108.726 -172.492 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.417 ' HB2' ' HE3' ' A' ' 141' ' ' LYS . 42.9 tt0 -99.02 -51.59 3.81 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 121.07 -0.252 . . . . 2.08 111.14 -179.715 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 13.0 ptm180 -148.12 -176.59 5.34 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.928 0.394 . . . . 3.92 111.051 -177.647 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.415 ' OD2' ' HB2' ' A' ' 19' ' ' PHE . 18.1 t70 -145.14 166.11 26.35 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.866 -0.606 . . . . 1.19 109.502 -172.366 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -159.34 116.0 2.63 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 117.811 0.278 . . . . 2.66 111.544 -179.426 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.9 t30 68.69 24.4 6.77 Favored 'General case' 0 N--CA 1.476 0.834 0 CA-C-O 121.434 0.635 . . . . 0.97 112.053 170.559 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.446 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 11.9 t80 -75.76 -37.87 58.9 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.717 -0.674 . . . . 0.64 111.1 -174.342 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -58.04 -49.03 78.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.612 0.244 . . . . 2.04 110.577 179.287 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -61.67 -37.54 84.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.391 -0.368 . . . . 1.79 111.056 179.174 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.517 ' CE1' ' HE1' ' A' ' 129' ' ' MET . 87.3 t80 -59.26 -39.15 81.97 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 120.723 -0.391 . . . . 1.12 110.416 174.108 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.446 ' HG ' ' O ' ' A' ' 19' ' ' PHE . 90.1 mt -69.39 -37.81 77.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.37 -0.377 . . . . 1.13 110.437 -178.59 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.497 ' HZ3' ' HB3' ' A' ' 24' ' ' LYS . 8.2 mtpm? -63.36 -48.69 76.88 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.987 -0.551 . . . . 2.43 109.736 177.709 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.407 ' HB1' ' HB2' ' A' ' 132' ' ' LYS . . . -59.55 -39.48 84.13 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.189 -0.914 . . . . 1.2 111.116 176.87 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.529 ' HA ' ' CD1' ' A' ' 131' ' ' TRP . 15.4 mmm180 -67.01 -14.84 63.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.857 -0.611 . . . . 1.71 111.959 -179.485 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 95.65 20.3 27.13 Favored Glycine 0 N--CA 1.445 -0.711 0 C-N-CA 120.448 -0.882 . . . . 0.62 112.533 179.542 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 66.5 m-85 -90.15 125.81 35.58 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.881 0.372 . . . . 0.99 110.022 177.183 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -76.53 -172.81 35.83 Favored Glycine 0 N--CA 1.445 -0.751 0 C-N-CA 120.954 -0.641 . . . . 1.54 111.775 178.658 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.449 ' O ' ' HG2' ' A' ' 34' ' ' GLN . 64.8 t90 -53.97 -45.5 71.38 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 111.962 0.356 . . . . 1.31 111.962 -176.314 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.551 HD11 ' H ' ' A' ' 31' ' ' ILE . 3.7 mp -58.53 -56.05 18.86 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.74 0 CA-C-O 121.609 0.718 . . . . 2.68 109.941 -174.856 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -66.71 -31.29 71.85 Favored 'General case' 0 N--CA 1.43 -1.437 0 CA-C-N 114.85 -1.068 . . . . 1.16 111.032 -176.171 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 35.9 ttp180 -69.74 -22.2 63.39 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.058 -0.519 . . . . 2.48 110.187 178.42 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.621 ' O ' HD23 ' A' ' 38' ' ' LEU . 26.1 mm-40 -83.69 -27.77 28.79 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.768 -0.651 . . . . 2.4 110.826 175.745 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.459 HG13 ' HG3' ' A' ' 64' ' ' LYS . 57.4 t -85.39 -67.93 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-O 121.16 0.505 . . . . 1.33 110.866 -178.549 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.411 ' H ' HG13 ' A' ' 36' ' ' ILE . 28.7 mt -50.48 -38.84 16.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 114.885 -1.052 . . . . 1.25 113.089 -175.899 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 25.8 ttpp -77.45 -20.9 53.78 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-O 120.851 0.357 . . . . 1.62 111.645 -174.592 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.621 HD23 ' O ' ' A' ' 34' ' ' GLN . 3.9 mm? -104.73 -1.57 26.05 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.139 0.495 . . . . 2.6 110.409 -177.275 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -76.55 120.14 21.34 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.541 -0.754 . . . . 1.15 110.721 179.613 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.611 ' O ' ' HA ' ' A' ' 62' ' ' THR . . . -70.1 136.06 26.61 Favored Glycine 0 N--CA 1.443 -0.891 0 N-CA-C 110.462 -1.055 . . . . 0.84 110.462 174.09 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 78.4 t -122.99 126.0 73.07 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 CA-C-O 121.207 0.527 . . . . 1.88 110.858 -174.072 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 77.7 m -107.16 108.36 19.77 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.454 -0.794 . . . . 1.13 109.872 176.063 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 13.8 tptt -87.82 118.48 27.37 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.117 -0.697 . . . . 1.45 109.117 -179.169 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.513 ' O ' ' HA ' ' A' ' 58' ' ' MET . 3.3 ttpm? -121.83 121.8 38.02 Favored 'General case' 0 C--N 1.322 -0.591 0 C-N-CA 120.126 -0.63 . . . . 2.46 111.368 -177.799 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.435 ' HB3' HD22 ' A' ' 8' ' ' LEU . 60.6 m-85 -121.97 147.24 46.3 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.609 -0.723 . . . . 0.63 109.216 174.214 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 15.9 ptp180 179.65 -178.01 0.37 Allowed 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 110.317 -0.253 . . . . 3.72 110.317 175.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 32.9 m-80 -63.41 154.92 30.54 Favored 'General case' 0 C--N 1.319 -0.728 0 O-C-N 123.679 0.612 . . . . 1.9 109.569 173.441 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -51.49 142.22 14.3 Favored 'General case' 0 CA--C 1.52 -0.174 0 CA-C-O 120.797 0.332 . . . . 1.18 111.167 -177.485 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -47.81 -58.98 3.67 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 113.726 1.01 . . . . 1.94 113.726 -170.439 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 11.1 t -65.38 -38.27 89.51 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 108.977 -0.749 . . . . 2.82 108.977 -178.041 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 123.88 23.98 1.95 Allowed Glycine 0 N--CA 1.448 -0.54 0 CA-C-N 114.963 -1.017 . . . . 1.96 112.684 173.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 63.8 mttm -71.93 129.21 88.35 Favored Pre-proline 0 C--N 1.326 -0.426 0 N-CA-C 109.847 -0.427 . . . . 3.54 109.847 178.511 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.569 ' O ' ' HB3' ' A' ' 54' ' ' ASP . 41.8 Cg_endo -66.65 150.5 83.7 Favored 'Trans proline' 0 C--O 1.234 0.297 0 C-N-CA 122.725 2.283 . . . . 2.1 112.669 -176.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.569 ' HB3' ' O ' ' A' ' 53' ' ' PRO . 9.1 t0 88.19 -60.16 0.03 OUTLIER 'General case' 0 CA--C 1.514 -0.427 0 O-C-N 124.645 1.216 . . . . 2.44 109.295 177.764 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 71.3 mtt180 -68.04 143.03 55.7 Favored 'General case' 0 C--N 1.313 -1.001 0 CA-C-O 122.011 0.91 . . . . 4.72 112.297 176.575 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 76.3 m-85 -118.97 178.91 4.32 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 114.474 -1.239 . . . . 1.39 110.073 -179.309 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -127.87 133.56 49.34 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.66 -0.7 . . . . 1.1 109.735 -177.025 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.513 ' HA ' ' O ' ' A' ' 44' ' ' LYS . 1.1 tmt? -135.86 138.14 42.18 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.156 -0.683 . . . . 1.22 109.156 178.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 59.3 tt0 -147.16 148.5 31.61 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 120.868 0.366 . . . . 1.77 111.499 -174.129 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.568 ' HB2' ' OG1' ' A' ' 67' ' ' THR . 34.7 m-80 -127.41 105.0 8.22 Favored 'General case' 0 CA--C 1.515 -0.374 0 CA-C-N 115.705 -0.68 . . . . 1.55 109.629 178.284 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 82.9 mt -100.16 123.81 44.83 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 109.881 -0.414 . . . . 2.22 109.881 176.329 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.611 ' HA ' ' O ' ' A' ' 40' ' ' GLY . 43.7 p -125.05 -153.78 0.58 Allowed 'General case' 0 N--CA 1.444 -0.76 0 CA-C-O 120.869 0.366 . . . . 1.16 110.392 -175.189 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 68.0 p -101.73 -35.26 9.14 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-N 116.156 -0.475 . . . . 1.14 110.985 -179.761 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.459 ' HG3' HG13 ' A' ' 35' ' ' VAL . 74.5 mmtt -120.06 4.94 10.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.006 -0.543 . . . . 2.64 111.562 -174.731 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.599 ' HG3' ' H ' ' A' ' 66' ' ' ASP . 29.7 tptt -146.92 -156.99 0.76 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.972 0.415 . . . . 2.34 110.662 -178.844 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.599 ' H ' ' HG3' ' A' ' 65' ' ' LYS . 3.0 t70 167.75 129.67 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.06 -0.973 . . . . 2.12 108.738 -169.257 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.568 ' OG1' ' HB2' ' A' ' 60' ' ' ASN . 23.7 p -146.88 140.63 25.84 Favored 'General case' 0 C--N 1.311 -1.081 0 N-CA-C 108.94 -0.763 . . . . 1.17 108.94 177.258 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 8.4 t-160 -140.75 96.99 3.1 Favored 'General case' 0 C--N 1.313 -1.019 0 CA-C-O 121.164 0.507 . . . . 2.5 109.945 -177.305 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 18.7 m-70 -70.69 88.33 0.7 Allowed 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.363 -0.835 . . . . 0.48 108.806 176.457 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 43.6 mttm -78.49 115.6 18.31 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.443 -0.799 . . . . 2.79 112.619 -176.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 61.37 76.97 0.35 Allowed 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 115.4 -0.818 . . . . 2.07 112.215 169.133 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 66.5 p-90 -122.11 145.0 48.59 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.609 -0.723 . . . . 0.51 109.897 176.546 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -101.87 146.53 27.7 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 110.102 -0.333 . . . . 1.22 110.102 176.755 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.6 tt -56.71 119.12 5.63 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.092 0.472 . . . . 2.28 110.036 174.683 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 88.86 23.98 33.95 Favored Glycine 0 N--CA 1.447 -0.579 0 CA-C-N 115.652 -0.704 . . . . 0.66 112.417 -175.117 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -119.94 131.72 55.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.383 0.611 . . . . 2.37 111.316 -178.291 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -97.71 121.92 40.18 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 114.965 -1.016 . . . . 1.4 110.182 177.126 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 38.9 p90 -133.48 157.49 45.49 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 110.026 -0.361 . . . . 0.69 110.026 -178.146 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . 0.41 HE21 ' HB2' ' A' ' 79' ' ' GLN . 7.6 tt0 -90.67 151.14 21.39 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.425 -0.584 . . . . 2.38 109.425 175.58 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . 0.402 ' HB3' HD12 ' A' ' 90' ' ' ILE . 14.9 t70 -156.79 160.83 39.6 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.581 -0.281 . . . . 1.26 110.323 -168.31 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -101.18 87.26 3.2 Favored 'General case' 0 CA--C 1.515 -0.374 0 CA-C-O 122.13 0.967 . . . . 2.26 108.745 175.41 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -75.99 172.28 13.02 Favored 'General case' 0 C--N 1.309 -1.163 0 CA-C-N 114.356 -1.293 . . . . 1.61 113.093 -166.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 12.4 mt -53.11 -34.53 57.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.817 -0.629 . . . . 1.98 111.105 -176.737 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -78.62 20.71 0.42 Allowed 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.226 -0.897 . . . . 1.55 112.276 -174.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 20.4 m 65.39 28.47 11.71 Favored 'General case' 0 C--O 1.235 0.329 0 N-CA-C 112.999 0.74 . . . . 1.68 112.999 164.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 13.5 p -138.52 163.39 32.1 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 116.542 -0.299 . . . . 1.5 110.343 177.634 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 12.6 mm-40 -98.43 118.75 35.81 Favored 'General case' 0 CA--C 1.507 -0.69 0 N-CA-C 107.27 -1.382 . . . . 1.88 107.27 176.592 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . 0.73 ' HB2' ' O ' ' A' ' 105' ' ' ILE . 23.9 p80 -153.88 170.63 20.54 Favored 'General case' 0 C--N 1.311 -1.079 0 C-N-CA 119.71 -0.796 . . . . 1.51 111.903 -178.567 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.47 ' H ' HG12 ' A' ' 107' ' ' VAL . 20.4 ptmt -75.5 142.77 42.82 Favored 'General case' 0 N--CA 1.446 -0.655 0 CA-C-N 115.326 -0.852 . . . . 1.95 110.861 -173.019 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.434 HG12 ' HB3' ' A' ' 104' ' ' HIS . 40.1 mt -139.81 128.91 28.01 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.775 0 CA-C-N 115.503 -0.771 . . . . 1.19 110.67 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 38.3 m -110.53 131.36 55.12 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 116.359 -0.382 . . . . 1.12 110.304 174.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -113.38 127.9 56.28 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 108.997 -0.742 . . . . 0.81 108.997 174.737 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -165.1 173.1 11.81 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 110.065 -0.346 . . . . 1.69 110.065 -177.659 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -108.31 120.24 41.81 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.925 -0.579 . . . . 1.81 109.685 179.403 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 56.7 tptt -86.69 -46.6 9.89 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 108.388 -0.967 . . . . 3.48 108.388 -179.588 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . 0.42 ' C ' ' H ' ' A' ' 98' ' ' ASN . 13.5 m-20 -133.0 163.25 52.43 Favored Pre-proline 0 C--N 1.319 -0.725 0 N-CA-C 107.745 -1.206 . . . . 1.79 107.745 172.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 16.5 Cg_exo -69.74 6.61 1.24 Allowed 'Trans proline' 0 CA--C 1.528 0.178 0 C-N-CA 122.763 2.309 . . . . 1.07 111.958 -178.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . 0.42 ' H ' ' C ' ' A' ' 96' ' ' ASP . 62.7 t30 -134.15 17.11 3.77 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.5 -0.773 . . . . 2.63 109.481 177.475 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.452 ' HA ' ' O ' ' A' ' 118' ' ' TYR . 51.7 m -152.7 106.51 3.08 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-O 121.153 0.502 . . . . 1.26 112.094 -177.03 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.609 HD23 ' N ' ' A' ' 101' ' ' THR . 4.6 tt -88.68 135.77 33.34 Favored 'General case' 0 C--O 1.223 -0.328 0 N-CA-C 107.762 -1.199 . . . . 1.78 107.762 172.433 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' THR . . . . . 0.609 ' N ' HD23 ' A' ' 100' ' ' LEU . 1.4 p -116.51 133.0 56.53 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 118.563 0.619 . . . . 1.11 112.125 -177.707 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -109.67 102.31 11.15 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-N 115.559 -0.746 . . . . 1.31 109.346 171.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 26.7 m -92.39 102.81 15.29 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 109.435 -0.58 . . . . 1.12 109.435 178.363 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' HIS . . . . . 0.434 ' HB3' HG12 ' A' ' 90' ' ' ILE . 5.9 p80 -114.1 114.98 26.82 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.506 0.67 . . . . 2.22 111.401 -176.381 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.73 ' O ' ' HB2' ' A' ' 88' ' ' HIS . 50.0 mt -116.38 129.72 72.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 114.628 -1.169 . . . . 1.36 111.003 -176.144 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . 0.532 ' HB2' ' O ' ' A' ' 109' ' ' ASP . 21.4 mmtm -58.63 109.25 0.76 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.026 -0.533 . . . . 2.12 110.868 173.241 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . 0.47 HG12 ' H ' ' A' ' 89' ' ' LYS . 20.9 m -59.8 -22.19 23.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.249 -0.432 . . . . 2.03 112.048 177.151 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -95.52 -45.99 6.85 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.47 -0.332 . . . . 2.5 111.0 -177.289 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . 0.532 ' O ' ' HB2' ' A' ' 106' ' ' LYS . 23.6 m-20 -132.3 88.82 38.82 Favored Pre-proline 0 CA--C 1.514 -0.412 0 CA-C-O 120.943 0.401 . . . . 2.39 109.993 175.118 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -69.7 19.74 0.18 Allowed 'Trans proline' 0 C--N 1.335 -0.176 0 C-N-CA 123.538 2.825 . . . . 0.91 113.139 -175.416 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' THR . . . . . 0.455 ' H ' ' C ' ' A' ' 109' ' ' ASP . 76.0 p -85.96 -30.53 22.71 Favored 'General case' 0 N--CA 1.443 -0.8 0 CA-C-N 116.086 -0.507 . . . . 1.91 110.355 174.053 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . 0.445 ' HB3' ' HG3' ' A' ' 106' ' ' LYS . 23.0 t70 -97.83 52.6 1.08 Allowed 'General case' 0 CA--C 1.532 0.251 0 CA-C-O 121.563 0.697 . . . . 1.59 110.878 -176.748 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.444 ' CG1' HG12 ' A' ' 105' ' ' ILE . 14.5 m -84.65 169.82 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.815 0 CA-C-N 115.999 -0.546 . . . . 2.17 111.544 178.468 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -165.68 161.14 18.0 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.363 -0.606 . . . . 2.78 109.363 172.283 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 26.1 m -131.82 116.45 17.25 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-O 120.999 0.428 . . . . 1.18 110.467 177.439 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' TYR . . . . . 0.581 ' CE1' ' HE3' ' A' ' 129' ' ' MET . 19.5 m-30 -89.15 142.87 27.27 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 107.839 -1.171 . . . . 1.49 107.839 176.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -132.1 116.59 17.22 Favored 'General case' 0 N--CA 1.448 -0.54 0 N-CA-C 108.262 -1.014 . . . . 1.53 108.262 -173.663 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . 0.496 ' HB2' ' HB3' ' A' ' 100' ' ' LEU . 68.2 m-85 -93.22 114.35 26.81 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 116.423 -0.353 . . . . 1.0 110.515 -175.805 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 42.5 ttp180 -117.88 151.81 36.65 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.232 -0.44 . . . . 3.96 110.111 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . 0.513 ' NH2' ' HA ' ' A' ' 123' ' ' ASP . 15.0 mmm180 -108.0 130.16 55.08 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.964 0.411 . . . . 2.25 110.991 178.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -130.56 109.52 10.73 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.281 -0.637 . . . . 1.08 109.281 176.17 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 71.21 -101.24 0.94 Allowed Glycine 0 N--CA 1.448 -0.546 0 N-CA-C 111.303 -0.719 . . . . 1.04 111.303 -175.224 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . 0.513 ' HA ' ' NH2' ' A' ' 120' ' ' ARG . 28.3 t70 -134.7 24.27 3.68 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 122.006 0.908 . . . . 2.31 109.6 174.83 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 87.9 m-85 -111.75 140.73 46.14 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.425 -0.807 . . . . 1.17 110.617 -179.672 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -83.14 111.43 18.9 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 107.855 -1.165 . . . . 1.66 107.855 171.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 59.3 t -103.08 115.93 45.93 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.986 0 N-CA-C 109.639 -0.504 . . . . 1.1 109.639 -173.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' MET . . . . . 0.633 ' O ' ' HA ' ' A' ' 137' ' ' SER . 8.3 tpt -82.78 123.13 29.04 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-N 115.393 -0.821 . . . . 1.4 110.375 -176.647 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 24.0 tptp -113.49 110.81 20.88 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 109.508 -0.553 . . . . 2.68 109.508 -177.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 129' ' ' MET . . . . . 0.581 ' HE3' ' CE1' ' A' ' 116' ' ' TYR . 48.1 mtp -131.13 148.6 52.74 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 108.711 -0.848 . . . . 1.66 108.711 -179.067 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 2.2 p -160.12 127.2 4.45 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.85 0.357 . . . . 1.5 111.631 -176.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 131' ' ' TRP . . . . . 0.529 ' CD1' ' HA ' ' A' ' 26' ' ' ARG . 57.5 t-105 -141.07 134.76 30.21 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.957 -0.565 . . . . 0.88 109.796 -179.443 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . 0.504 ' HD3' ' CD1' ' A' ' 131' ' ' TRP . 6.1 mptp? 52.45 38.26 24.94 Favored 'General case' 0 N--CA 1.462 0.149 0 O-C-N 123.561 0.538 . . . . 2.42 111.239 -174.411 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 79.71 -10.84 36.45 Favored Glycine 0 CA--C 1.521 0.462 0 C-N-CA 121.069 -0.586 . . . . 0.53 113.683 179.041 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 43.9 t -87.72 105.68 15.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 117.1 0.45 . . . . 1.13 110.162 -179.702 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 1.5 m -92.73 151.43 20.06 Favored 'General case' 0 N--CA 1.437 -1.125 0 CA-C-O 121.185 0.517 . . . . 1.64 111.141 -179.59 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 5.0 t -139.47 150.07 44.74 Favored 'General case' 0 C--N 1.313 -1.019 0 CA-C-N 115.157 -0.929 . . . . 1.1 109.389 176.157 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 137' ' ' SER . . . . . 0.633 ' HA ' ' O ' ' A' ' 127' ' ' MET . 19.5 m -136.98 95.67 3.16 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.972 0.415 . . . . 1.06 110.384 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 138' ' ' ARG . . . . . 0.418 ' HD2' ' CE1' ' A' ' 19' ' ' PHE . 33.8 mtp180 -79.3 136.95 37.17 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.962 -0.755 . . . . 2.41 108.962 177.696 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 84.3 m-85 -100.56 106.53 18.05 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 121.36 0.6 . . . . 1.03 111.308 -175.488 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 87.5 m-85 -103.36 135.54 44.79 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 114.902 -1.044 . . . . 0.92 109.871 179.728 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 141' ' ' LYS . . . . . 0.537 ' HG3' ' O ' ' A' ' 142' ' ' LYS . 17.6 ptpt -113.09 168.5 9.65 Favored 'General case' 0 C--N 1.311 -1.069 0 N-CA-C 107.893 -1.151 . . . . 2.41 107.893 175.869 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 142' ' ' LYS . . . . . 0.604 ' O ' ' HG2' ' A' ' 12' ' ' LYS . 45.5 tttp -54.9 165.95 0.57 Allowed 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 118.441 0.564 . . . . 2.59 110.383 170.634 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . 0.535 ' NE2' ' HB3' ' A' ' 12' ' ' LYS . 52.8 mm-40 . . . . . 0 C--O 1.249 1.035 0 O-C-N 121.121 -0.987 . . . . 1.74 110.968 167.198 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 19.0 m . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.046 -0.353 . . . . 1.44 110.046 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.462 HD23 ' HD2' ' A' ' 4' ' ' PRO . 0.1 OUTLIER -60.13 117.09 20.64 Favored Pre-proline 0 C--O 1.235 0.328 0 CA-C-N 116.178 -0.464 . . . . 1.33 111.348 -172.863 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . 0.462 ' HD2' HD23 ' A' ' 3' ' ' LEU . 31.9 Cg_exo -57.82 128.89 30.82 Favored 'Trans proline' 0 N--CA 1.461 -0.419 0 C-N-CA 122.989 2.459 . . . . 0.81 111.419 173.598 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -54.76 -25.95 31.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.705 -0.68 . . . . 2.19 111.899 -179.341 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.401 ' O ' ' HD3' ' A' ' 120' ' ' ARG . 57.6 mtpt -59.0 -19.85 47.45 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.408 0.522 . . . . 3.1 112.408 178.362 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.488 ' CE1' ' HG2' ' A' ' 120' ' ' ARG . 48.9 m-85 -96.09 5.75 50.41 Favored 'General case' 0 C--N 1.327 -0.4 0 O-C-N 122.165 -0.334 . . . . 0.74 111.43 179.87 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.407 HD22 ' HB3' ' A' ' 45' ' ' PHE . 97.2 mt -99.8 143.28 30.2 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.076 0.465 . . . . 1.12 111.752 -174.661 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 131.6 -179.74 16.84 Favored Glycine 0 N--CA 1.449 -0.481 0 CA-C-N 115.538 -0.755 . . . . 0.52 112.552 179.754 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.424 HG23 ' HG3' ' A' ' 143' ' ' GLN . 96.4 m -105.94 122.62 46.5 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.803 0.335 . . . . 1.62 110.171 177.637 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 77.7 m-85 -119.19 134.11 55.39 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.124 -0.489 . . . . 0.57 110.842 -176.396 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.483 ' HB3' ' CD ' ' A' ' 143' ' ' GLN . 0.0 OUTLIER -97.16 133.67 41.49 Favored 'General case' 0 C--O 1.234 0.282 0 C-N-CA 120.019 -0.673 . . . . 2.65 111.037 174.096 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 52.0 tp -59.72 129.15 40.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.753 -0.658 . . . . 1.79 110.904 174.429 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -104.58 -50.81 3.22 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.215 -0.448 . . . . 2.08 110.543 177.273 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 16.2 ptp180 -154.77 -179.03 7.63 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.547 -0.297 . . . . 3.92 110.552 -173.65 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -148.63 176.77 10.06 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.503 -0.317 . . . . 1.19 110.714 178.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -148.44 113.92 5.62 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.116 -0.493 . . . . 2.66 110.401 -178.761 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 44.9 t30 72.08 24.64 3.15 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-O 121.551 0.691 . . . . 0.97 111.263 175.293 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.472 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 14.0 t80 -73.61 -37.67 65.34 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.625 -0.716 . . . . 0.64 110.374 -175.08 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -52.09 -57.51 9.35 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.183 -0.462 . . . . 2.04 111.336 175.524 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 43.7 mm-40 -52.55 -42.41 64.4 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 115.769 -0.651 . . . . 1.79 110.897 177.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.555 ' CE1' ' HE2' ' A' ' 129' ' ' MET . 89.5 t80 -58.65 -40.86 84.63 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 116.304 -0.407 . . . . 1.12 111.237 177.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.472 ' HG ' ' O ' ' A' ' 19' ' ' PHE . 96.5 mt -62.58 -44.11 97.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.038 0.447 . . . . 1.13 110.802 -178.464 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 55.9 mtmt -67.07 -40.47 87.06 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.86 -0.609 . . . . 2.43 110.674 179.718 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.5 -40.08 95.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.758 -0.655 . . . . 1.2 111.177 178.192 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 13.2 mmm180 -73.9 -7.11 51.04 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.824 -0.625 . . . . 1.71 111.556 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 94.58 11.1 57.36 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.536 -0.84 . . . . 0.62 112.895 174.298 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 74.6 m-85 -73.93 124.22 25.76 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-O 120.834 0.35 . . . . 0.99 110.099 179.06 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.516 ' O ' ' HG3' ' A' ' 33' ' ' ARG . . . -81.08 -177.13 51.45 Favored Glycine 0 N--CA 1.447 -0.6 0 N-CA-C 111.338 -0.705 . . . . 1.54 111.338 177.327 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 42.0 t90 -48.29 -46.08 35.64 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 111.727 0.269 . . . . 1.31 111.727 -177.212 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.551 ' O ' ' HG3' ' A' ' 34' ' ' GLN . 3.6 mp -51.8 -58.6 2.08 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.971 0 O-C-N 123.705 0.628 . . . . 2.68 110.087 -173.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 55.0 mmm -69.45 -39.71 77.59 Favored 'General case' 0 N--CA 1.422 -1.833 0 CA-C-N 115.179 -0.919 . . . . 1.16 111.058 -175.199 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.516 ' HG3' ' O ' ' A' ' 29' ' ' GLY . 44.9 mtm-85 -57.48 -42.32 82.39 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 120.919 -0.312 . . . . 2.48 111.324 -177.809 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.551 ' HG3' ' O ' ' A' ' 31' ' ' ILE . 0.0 OUTLIER -73.9 -35.3 64.64 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.632 -0.427 . . . . 2.4 110.721 -177.679 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 69.2 t -71.39 -51.19 35.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 121.154 0.502 . . . . 1.33 110.567 178.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 96.0 mt -52.78 -39.98 33.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.012 -0.995 . . . . 1.25 112.589 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.435 ' HG3' ' O ' ' A' ' 33' ' ' ARG . 61.5 mttm -63.22 -36.87 85.1 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 121.064 0.459 . . . . 1.62 111.45 178.228 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 46.2 mt -86.77 -5.12 59.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.07 -0.514 . . . . 2.6 111.57 -173.789 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -82.33 111.78 18.7 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.403 -0.362 . . . . 1.15 111.325 -177.212 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.452 ' O ' ' HA ' ' A' ' 62' ' ' THR . . . -69.29 137.1 28.99 Favored Glycine 0 N--CA 1.449 -0.443 0 N-CA-C 110.544 -1.022 . . . . 0.84 110.544 172.069 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 28.3 t -121.64 127.94 75.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-O 121.247 0.546 . . . . 1.88 112.003 -171.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 22.5 m -117.53 119.54 35.35 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.554 -0.748 . . . . 1.13 110.209 173.803 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.499 ' HZ1' ' ND2' ' A' ' 60' ' ' ASN . 69.5 mmtt -97.38 135.56 39.1 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.862 -0.421 . . . . 1.45 109.862 178.746 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.534 ' O ' ' HA ' ' A' ' 58' ' ' MET . 27.9 mtpp -133.18 131.78 40.8 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.708 0.289 . . . . 2.46 111.447 -178.13 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.551 ' CE2' ' HG3' ' A' ' 58' ' ' MET . 53.2 m-85 -129.51 142.95 50.66 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.718 -0.674 . . . . 0.63 109.382 172.536 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 12.7 ptm180 -162.47 166.53 24.81 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 120.795 0.331 . . . . 3.72 110.497 173.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -69.75 136.35 50.83 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 108.15 -1.055 . . . . 1.9 108.15 172.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.543 ' HB3' ' CG ' ' A' ' 55' ' ' ARG . . . -73.53 175.09 7.37 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.116 0.484 . . . . 1.18 111.598 -174.871 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -128.84 -15.6 4.32 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.62 -0.718 . . . . 1.94 111.108 -174.364 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 22.9 t -49.91 -22.34 1.49 Allowed 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 115.33 -0.85 . . . . 2.82 111.575 174.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 94.32 9.3 59.28 Favored Glycine 0 CA--C 1.52 0.39 0 C-N-CA 120.632 -0.794 . . . . 1.96 114.406 171.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.705 ' O ' ' HB3' ' A' ' 55' ' ' ARG . 4.1 mppt? -104.17 104.03 41.64 Favored Pre-proline 0 C--O 1.214 -0.789 0 CA-C-N 117.858 0.829 . . . . 3.54 110.107 177.811 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.416 ' C ' ' H ' ' A' ' 55' ' ' ARG . 9.6 Cg_endo -49.82 151.14 8.5 Favored 'Trans proline' 0 N--CA 1.474 0.352 0 C-N-CA 123.242 2.628 . . . . 2.1 113.256 -168.106 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 14.3 t70 84.77 -21.9 0.23 Allowed 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 124.52 1.128 . . . . 2.44 108.954 -174.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.705 ' HB3' ' O ' ' A' ' 52' ' ' LYS . 24.6 ptt-85 -42.41 133.97 3.12 Favored 'General case' 0 C--O 1.239 0.508 0 CA-C-N 114.567 -1.197 . . . . 4.72 113.368 169.222 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 76.5 m-85 -139.23 159.05 43.06 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 109.161 -0.681 . . . . 1.39 109.161 166.544 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -117.02 134.14 55.12 Favored 'General case' 0 C--N 1.317 -0.844 0 N-CA-C 108.604 -0.888 . . . . 1.1 108.604 179.363 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.551 ' HG3' ' CE2' ' A' ' 45' ' ' PHE . 1.8 tmt? -143.21 140.49 30.74 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.917 0.389 . . . . 1.22 110.346 -176.412 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -130.82 141.21 50.33 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.069 0.461 . . . . 1.77 111.697 -177.699 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.499 ' ND2' ' HZ1' ' A' ' 43' ' ' LYS . 0.7 OUTLIER -112.91 85.51 2.19 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 107.037 -1.468 . . . . 1.55 107.037 173.076 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 85.9 mt -89.14 135.35 33.61 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 120.783 0.325 . . . . 2.22 110.958 -173.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.452 ' HA ' ' O ' ' A' ' 40' ' ' GLY . 18.5 p -136.66 -158.03 0.83 Allowed 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.194 -0.669 . . . . 1.16 109.194 -179.24 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 64.5 p -102.33 -17.65 15.79 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-O 121.017 0.437 . . . . 1.14 111.448 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 48.1 mmtm -112.57 -55.32 2.53 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.93 0.395 . . . . 2.64 111.187 -175.758 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 16.2 tppt? -127.02 126.16 42.66 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 116.107 -0.497 . . . . 2.34 110.296 -178.674 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -111.53 150.55 29.82 Favored 'General case' 0 C--N 1.318 -0.761 0 N-CA-C 108.888 -0.782 . . . . 2.12 108.888 179.297 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.493 ' HG1' ' HB2' ' A' ' 60' ' ' ASN . 34.3 p -124.94 152.68 43.8 Favored 'General case' 0 C--N 1.317 -0.847 0 N-CA-C 110.221 -0.288 . . . . 1.17 110.221 179.444 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 21.1 t-160 -136.76 83.13 1.98 Allowed 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.044 0.45 . . . . 2.5 110.097 -178.775 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.514 ' HD2' ' SD ' ' A' ' 58' ' ' MET . 27.4 m-70 -73.71 88.16 1.72 Allowed 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 108.953 -0.758 . . . . 0.48 108.953 177.445 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 8.8 ptpt -89.68 135.17 33.77 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 112.455 0.539 . . . . 2.79 112.455 -178.18 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 46.67 61.33 2.85 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 114.038 -1.437 . . . . 2.07 112.809 174.085 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 55.2 p-90 -100.1 149.35 23.59 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.118 -0.946 . . . . 0.51 109.231 172.465 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.567 ' O ' ' HB2' ' A' ' 76' ' ' GLU . . . -116.93 154.02 31.57 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 116.383 -0.371 . . . . 1.22 110.084 179.193 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.445 HD11 ' HA ' ' A' ' 74' ' ' LEU . 3.8 mm? -59.22 128.29 36.42 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.099 0.476 . . . . 2.28 111.175 174.292 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 86.19 6.68 81.24 Favored Glycine 0 N--CA 1.447 -0.624 0 CA-C-N 115.486 -0.779 . . . . 0.66 111.794 -178.551 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.567 ' HB2' ' O ' ' A' ' 73' ' ' ALA . 9.8 mm-40 -103.18 150.56 23.56 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.513 0.673 . . . . 2.37 111.648 -178.25 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.498 ' HA ' ' O ' ' A' ' 90' ' ' ILE . 28.8 tt0 -130.72 118.33 20.73 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 114.648 -1.16 . . . . 1.4 108.734 -177.078 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 48.0 p90 -128.88 151.88 49.14 Favored 'General case' 0 C--N 1.317 -0.818 0 N-CA-C 110.24 -0.282 . . . . 0.69 110.24 -176.613 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . 0.442 ' HA ' ' O ' ' A' ' 88' ' ' HIS . 1.8 mp0 -84.85 147.73 26.65 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 108.893 -0.781 . . . . 2.38 108.893 174.794 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -164.92 165.69 20.12 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.47 -0.332 . . . . 1.26 110.27 -171.163 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.487 ' O ' HG23 ' A' ' 67' ' ' THR . 34.1 tt0 -101.63 97.36 7.79 Favored 'General case' 0 CA--C 1.514 -0.431 0 N-CA-C 108.832 -0.803 . . . . 2.26 108.832 178.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -84.15 176.59 8.68 Favored 'General case' 0 C--N 1.314 -0.967 0 CA-C-N 114.992 -1.004 . . . . 1.61 112.899 -171.185 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.532 ' H ' HD21 ' A' ' 83' ' ' LEU . 2.4 mm? -54.75 -38.79 67.6 Favored 'General case' 0 CA--C 1.515 -0.389 0 CA-C-O 121.454 0.645 . . . . 1.98 109.641 179.323 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -74.93 8.85 2.21 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 114.887 -1.051 . . . . 1.55 111.033 -173.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 7.4 m 64.45 38.01 7.84 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 115.221 -0.9 . . . . 1.68 111.895 169.284 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 25.0 p -122.93 161.43 24.2 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.964 -0.562 . . . . 1.5 110.642 174.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 10.4 mm100 -106.53 79.94 1.42 Allowed 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 107.92 -1.141 . . . . 1.88 107.92 176.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . 0.522 ' HB2' ' HA ' ' A' ' 106' ' ' LYS . 10.0 p-80 -124.81 173.68 8.43 Favored 'General case' 0 C--N 1.313 -1.012 0 C-N-CA 119.971 -0.692 . . . . 1.51 111.241 -164.473 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.514 ' O ' ' HD2' ' A' ' 88' ' ' HIS . 62.7 pttt -85.73 136.21 33.44 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-O 121.442 0.639 . . . . 1.95 110.356 -178.388 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.498 ' O ' ' HA ' ' A' ' 77' ' ' GLU . 7.6 mt -131.4 127.07 59.45 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.848 0 CA-C-N 115.498 -0.774 . . . . 1.19 110.72 -171.494 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 15.8 m -117.37 141.83 47.84 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 120.895 0.379 . . . . 1.12 111.235 -178.101 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 37.3 m-85 -117.81 133.01 56.36 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.595 -0.73 . . . . 0.81 109.109 174.569 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -153.97 142.45 20.71 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.9 0.381 . . . . 1.69 110.801 -175.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.404 HD22 HD13 ' A' ' 74' ' ' LEU . 0.4 OUTLIER -87.61 114.83 24.59 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 108.978 -0.749 . . . . 1.81 108.978 177.016 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 59.7 tttp -86.46 -42.04 13.92 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.14 -0.689 . . . . 3.48 109.14 -175.122 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -155.41 164.79 20.0 Favored Pre-proline 0 C--N 1.319 -0.718 0 N-CA-C 106.935 -1.506 . . . . 1.79 106.935 172.238 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_exo -58.79 0.32 0.43 Allowed 'Trans proline' 0 N--CA 1.48 0.696 0 C-N-CA 123.309 2.673 . . . . 1.07 114.762 -172.756 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . 0.44 ' O ' ' HA ' ' A' ' 119' ' ' ARG . 7.4 t30 -135.31 18.97 3.38 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.043 0.449 . . . . 2.63 109.996 177.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 25.6 m -145.08 107.01 4.28 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-O 121.182 0.515 . . . . 1.26 111.839 179.347 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.413 ' HB3' ' HB2' ' A' ' 118' ' ' TYR . 0.8 OUTLIER -93.38 136.95 33.16 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.696 -1.224 . . . . 1.78 107.696 170.852 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 17.5 p -112.71 128.86 56.52 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 119.117 0.871 . . . . 1.11 111.452 179.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 69.5 tt0 -111.33 102.57 10.96 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.325 -0.852 . . . . 1.31 109.12 175.021 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 25.0 m -98.19 114.76 27.1 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.105 0.479 . . . . 1.12 111.033 -174.813 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 39.5 m170 -96.1 100.52 12.16 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.913 -0.585 . . . . 2.22 110.179 176.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.483 ' O ' ' HB2' ' A' ' 88' ' ' HIS . 17.9 mt -104.81 113.48 41.95 Favored 'Isoleucine or valine' 0 C--O 1.238 0.455 0 CA-C-O 121.177 0.513 . . . . 1.36 111.164 176.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . 0.522 ' HA ' ' HB2' ' A' ' 88' ' ' HIS . 42.2 mtmt -63.63 117.31 6.63 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.369 -0.832 . . . . 2.12 111.134 179.361 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 11.4 m -57.63 -26.64 27.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.266 -0.879 . . . . 2.03 111.036 175.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -76.65 -51.9 10.67 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.498 -0.773 . . . . 2.5 110.771 179.762 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -138.85 91.93 11.46 Favored Pre-proline 0 CA--C 1.515 -0.371 0 CA-C-O 121.307 0.575 . . . . 2.39 110.081 -179.695 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 68.2 Cg_endo -73.73 8.92 1.76 Allowed 'Trans proline' 0 N--CA 1.464 -0.244 0 C-N-CA 123.566 2.844 . . . . 0.91 113.204 -176.08 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 41.7 p -92.29 -23.25 19.35 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.5 0.667 . . . . 1.91 110.185 175.153 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . 0.466 ' HB3' ' HE2' ' A' ' 106' ' ' LYS . 37.0 t70 -108.27 46.88 0.93 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.282 -0.872 . . . . 1.59 109.838 -175.688 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.411 HG12 ' HA ' ' A' ' 105' ' ' ILE . 14.5 m -70.29 -179.04 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.171 -0.922 . . . . 2.17 112.049 179.674 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -153.82 143.48 21.75 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.582 -0.736 . . . . 2.78 109.391 176.28 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 23.8 m -143.09 140.52 30.93 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.138 0.494 . . . . 1.18 111.478 -176.722 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -118.68 162.51 18.29 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 107.381 -1.34 . . . . 1.49 107.381 174.195 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . 0.494 ' HB2' ' HB3' ' A' ' 128' ' ' LYS . 30.3 mt-10 -135.17 123.87 23.76 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 108.131 -1.063 . . . . 1.53 108.131 179.444 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . 0.413 ' HB2' ' HB3' ' A' ' 100' ' ' LEU . 40.1 m-85 -93.42 115.83 28.37 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-O 120.887 0.375 . . . . 1.0 110.381 -175.883 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . 0.44 ' HA ' ' O ' ' A' ' 98' ' ' ASN . 88.7 mtm180 -120.46 157.1 30.09 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.822 -0.626 . . . . 3.96 110.327 -178.326 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . 0.488 ' HG2' ' CE1' ' A' ' 7' ' ' PHE . 12.1 mmm180 -102.48 140.37 36.85 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 110.235 -0.283 . . . . 2.25 110.235 174.721 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -142.28 89.3 2.15 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.557 -0.534 . . . . 1.08 109.557 173.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 71.55 -113.11 4.46 Favored Glycine 0 N--CA 1.446 -0.634 0 N-CA-C 111.052 -0.819 . . . . 1.04 111.052 -175.071 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -107.49 12.31 27.96 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.058 0.456 . . . . 2.31 110.409 176.746 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 -106.74 140.55 39.42 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 116.072 -0.513 . . . . 1.17 111.122 -179.196 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -91.89 117.62 29.97 Favored 'General case' 0 N--CA 1.449 -0.524 0 N-CA-C 107.479 -1.304 . . . . 1.66 107.479 170.613 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 72.1 t -111.55 120.08 61.28 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.855 0 CA-C-O 121.153 0.502 . . . . 1.1 110.29 -172.286 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' MET . . . . . 0.536 ' O ' ' HA ' ' A' ' 137' ' ' SER . 31.1 ttm -93.02 136.59 33.15 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-N 115.572 -0.74 . . . . 1.4 110.418 -179.312 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . 0.494 ' HB3' ' HB2' ' A' ' 117' ' ' GLU . 23.9 tptm -119.85 116.27 25.53 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 109.301 -0.629 . . . . 2.68 109.301 178.338 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 129' ' ' MET . . . . . 0.555 ' HE2' ' CE1' ' A' ' 22' ' ' TYR . 16.3 mtp -122.79 133.73 54.44 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 108.445 -0.946 . . . . 1.66 108.445 -179.803 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 130' ' ' SER . . . . . 0.411 ' HA ' ' O ' ' A' ' 134' ' ' VAL . 10.8 p -141.19 129.68 22.57 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.185 0.517 . . . . 1.5 111.615 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 131' ' ' TRP . . . . . 0.429 ' CD1' ' HG3' ' A' ' 132' ' ' LYS . 53.1 t-105 -144.93 130.23 18.66 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.318 -0.855 . . . . 0.88 110.085 178.526 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . 0.429 ' HG3' ' CD1' ' A' ' 131' ' ' TRP . 67.8 mttm 51.51 44.26 29.15 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 121.196 0.522 . . . . 2.42 111.245 -177.451 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 80.93 -22.14 5.18 Favored Glycine 0 CA--C 1.52 0.353 0 CA-C-N 115.725 -0.67 . . . . 0.53 113.016 179.616 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . 0.411 ' O ' ' HA ' ' A' ' 130' ' ' SER . 27.7 t -74.85 107.83 5.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 N-CA-C 110.159 -0.312 . . . . 1.13 110.159 -177.73 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 1.2 m -102.71 137.21 41.23 Favored 'General case' 0 N--CA 1.433 -1.285 0 CA-C-O 121.134 0.493 . . . . 1.64 110.992 -179.739 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 136' ' ' THR . . . . . 0.497 ' CG2' ' HB2' ' A' ' 129' ' ' MET . 6.2 t -134.81 135.63 41.92 Favored 'General case' 0 C--N 1.309 -1.171 0 CA-C-N 115.344 -0.843 . . . . 1.1 110.22 179.615 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 137' ' ' SER . . . . . 0.536 ' HA ' ' O ' ' A' ' 127' ' ' MET . 62.0 m -116.47 110.0 18.04 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.242 -0.435 . . . . 1.06 109.961 176.068 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 29.7 mtp180 -90.2 131.42 36.04 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.232 -0.655 . . . . 2.41 109.232 177.392 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -100.41 112.22 24.55 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.196 0.522 . . . . 1.03 111.091 -174.624 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 68.8 m-85 -107.76 135.03 49.87 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.252 -0.885 . . . . 0.92 108.841 177.116 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 13.3 ptpt -108.45 168.17 9.51 Favored 'General case' 0 C--N 1.309 -1.154 0 N-CA-C 107.565 -1.272 . . . . 2.41 107.565 172.728 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 142' ' ' LYS . . . . . 0.403 ' O ' ' HG3' ' A' ' 12' ' ' LYS . 78.5 tttt -57.24 170.19 0.51 Allowed 'General case' 0 C--N 1.313 -1.003 0 CA-C-O 121.251 0.548 . . . . 2.59 110.888 174.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . 0.526 ' HA ' HE21 ' A' ' 143' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--O 1.248 0.976 0 O-C-N 121.33 -0.856 . . . . 1.74 109.838 160.633 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 2.0 m . . . . . 0 N--CA 1.449 -0.511 0 CA-C-O 120.951 0.405 . . . . 1.44 110.533 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.419 HD23 ' HA ' ' A' ' 3' ' ' LEU . 5.7 mt -62.05 123.84 79.54 Favored Pre-proline 0 C--N 1.323 -0.58 0 CA-C-N 115.487 -0.779 . . . . 1.33 111.508 179.548 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_exo -59.8 135.44 63.63 Favored 'Trans proline' 0 N--CA 1.458 -0.585 0 C-N-CA 122.722 2.281 . . . . 0.81 110.567 171.119 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . 0.404 ' HA ' HD13 ' A' ' 8' ' ' LEU . 6.1 m-20 -54.76 -21.79 12.14 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 115.978 -0.556 . . . . 2.19 111.824 -178.442 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.577 ' O ' ' HD3' ' A' ' 120' ' ' ARG . 67.9 mttm -59.79 -26.92 66.12 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.309 0.485 . . . . 3.1 112.309 176.31 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -99.65 -0.48 40.17 Favored 'General case' 0 C--N 1.328 -0.327 0 O-C-N 122.036 -0.415 . . . . 0.74 110.258 -179.228 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.418 ' HA ' ' HB2' ' A' ' 45' ' ' PHE . 89.5 mt -102.64 145.42 29.69 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.184 0.516 . . . . 1.12 111.438 -174.177 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 127.24 -173.97 18.43 Favored Glycine 0 N--CA 1.446 -0.693 0 CA-C-N 115.441 -0.8 . . . . 0.52 111.559 -176.355 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.451 HG21 ' HG2' ' A' ' 44' ' ' LYS . 36.1 m -110.95 123.23 49.75 Favored 'General case' 0 N--CA 1.446 -0.625 0 N-CA-C 109.994 -0.373 . . . . 1.62 109.994 177.082 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.427 ' HA ' ' HA ' ' A' ' 142' ' ' LYS . 56.9 m-85 -118.24 136.07 53.89 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.317 -0.401 . . . . 0.57 111.166 -174.749 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.7 ' HB3' ' NE2' ' A' ' 143' ' ' GLN . 21.7 ptmt -101.05 132.4 46.51 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 120.061 -0.656 . . . . 2.65 111.7 173.591 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.57 HD22 ' CE2' ' A' ' 140' ' ' TYR . 2.8 tm? -58.35 129.58 42.67 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 115.127 -0.942 . . . . 1.79 110.816 176.606 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -106.48 -46.99 3.88 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.363 -0.381 . . . . 2.08 111.533 -179.551 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 2.2 ptm180 -162.44 -174.38 4.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.908 0.385 . . . . 3.92 110.901 -178.666 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -143.84 163.8 32.35 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.808 -0.633 . . . . 1.19 110.387 -179.277 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -145.74 118.47 8.64 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.571 -0.286 . . . . 2.66 110.628 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 42.4 t30 73.17 22.0 2.97 Favored 'General case' 0 N--CA 1.477 0.904 0 CA-C-O 121.764 0.792 . . . . 0.97 110.427 179.542 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.484 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 9.7 t80 -75.89 -42.2 49.83 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.103 -0.953 . . . . 0.64 111.273 -171.604 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.424 ' O ' ' HG3' ' A' ' 24' ' ' LYS . 8.2 p-10 -60.51 -42.05 95.61 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 121.176 -0.21 . . . . 2.04 110.564 177.711 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 22.9 mm-40 -54.18 -46.12 72.28 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.442 -0.345 . . . . 1.79 110.727 175.657 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 43.6 t80 -58.76 -39.65 81.62 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.293 -0.412 . . . . 1.12 110.71 176.575 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.484 ' HG ' ' O ' ' A' ' 19' ' ' PHE . 88.7 mt -67.5 -38.67 84.66 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.309 -0.405 . . . . 1.13 110.576 -175.448 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.424 ' HG3' ' O ' ' A' ' 20' ' ' ASP . 89.8 mttt -64.25 -50.26 68.66 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.841 -0.618 . . . . 2.43 110.054 177.118 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.04 -36.61 75.31 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.344 -0.844 . . . . 1.2 111.021 178.134 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.485 ' HA ' ' CD1' ' A' ' 131' ' ' TRP . 16.0 tpt180 -70.7 -17.81 62.82 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.786 -0.643 . . . . 1.71 111.14 -178.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 95.61 28.16 9.85 Favored Glycine 0 N--CA 1.447 -0.618 0 C-N-CA 120.766 -0.73 . . . . 0.62 112.762 179.428 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 48.8 m-85 -92.66 129.38 38.6 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.871 0.367 . . . . 0.99 110.397 175.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -74.9 178.68 45.87 Favored Glycine 0 N--CA 1.445 -0.703 0 CA-C-N 115.668 -0.697 . . . . 1.54 111.921 177.139 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.505 ' O ' ' HG2' ' A' ' 34' ' ' GLN . 90.4 t90 -50.63 -54.75 20.32 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 122.759 0.424 . . . . 1.31 111.901 -176.513 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.428 HD12 ' HA ' ' A' ' 31' ' ' ILE . 1.2 mm -52.77 -54.58 15.44 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.314 0 N-CA-C 111.989 0.366 . . . . 2.68 111.989 -178.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.75 -45.02 82.3 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.634 -0.257 . . . . 1.16 110.838 177.438 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.426 ' O ' ' HG3' ' A' ' 37' ' ' LYS . 41.5 ttp180 -65.46 -21.01 66.6 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.186 0.517 . . . . 2.48 110.74 -177.838 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.505 ' HG2' ' O ' ' A' ' 30' ' ' TRP . 16.9 mm100 -84.02 -39.36 19.73 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.855 -0.611 . . . . 2.4 110.34 177.356 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 55.7 t -73.5 -57.45 6.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.26 -0.427 . . . . 1.33 111.111 -176.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 66.8 mt -47.43 -35.76 4.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 N-CA-C 113.753 1.02 . . . . 1.25 113.753 179.431 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.426 ' HG3' ' O ' ' A' ' 33' ' ' ARG . 40.3 mtmt -77.09 -21.83 53.72 Favored 'General case' 0 N--CA 1.467 0.39 0 O-C-N 121.967 -0.458 . . . . 1.62 111.681 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 54.9 mt -90.3 -13.58 34.96 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.245 0.545 . . . . 2.6 110.305 -179.443 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -75.82 109.21 9.24 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.407 -0.815 . . . . 1.15 111.049 -178.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -77.97 154.92 41.92 Favored Glycine 0 N--CA 1.444 -0.83 0 N-CA-C 110.387 -1.085 . . . . 0.84 110.387 174.159 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 43.9 t -133.71 131.82 56.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-O 121.228 0.537 . . . . 1.88 110.723 -175.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 23.7 m -107.34 107.14 17.91 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.766 -0.652 . . . . 1.13 109.761 175.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.781 ' HE3' ' SD ' ' A' ' 127' ' ' MET . 74.2 mmtt -84.14 129.52 34.89 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.098 -0.501 . . . . 1.45 110.029 179.378 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.565 ' O ' ' HA ' ' A' ' 58' ' ' MET . 10.2 mtpm? -128.81 106.06 8.67 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 120.811 0.339 . . . . 2.46 110.726 177.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.418 ' HB2' ' HA ' ' A' ' 8' ' ' LEU . 91.4 m-85 -109.86 120.65 43.15 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 109.251 -0.648 . . . . 0.63 109.251 177.018 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 15.3 ptm180 -149.13 162.85 39.15 Favored 'General case' 0 C--N 1.319 -0.735 0 C-N-CA 120.68 -0.408 . . . . 3.72 111.072 -178.545 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . 0.433 ' HA ' ' CD2' ' A' ' 56' ' ' TYR . 1.9 t-20 -65.83 144.26 56.95 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 107.602 -1.259 . . . . 1.9 107.602 171.676 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -47.14 130.29 12.63 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-O 121.554 0.693 . . . . 1.18 111.997 -171.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.401 ' C ' ' H ' ' A' ' 51' ' ' GLY . . . -67.11 -34.23 77.16 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 114.235 -1.348 . . . . 1.94 111.697 -169.148 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 19.3 m -72.44 13.22 0.36 Allowed 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 112.233 0.457 . . . . 2.82 112.233 178.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.401 ' H ' ' C ' ' A' ' 49' ' ' ALA . . . 76.03 29.09 59.35 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.8 -0.714 . . . . 1.96 113.074 177.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -92.93 123.46 61.24 Favored Pre-proline 0 C--N 1.323 -0.584 0 N-CA-C 110.087 -0.338 . . . . 3.54 110.087 177.124 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.464 ' O ' ' HB3' ' A' ' 54' ' ' ASP . 72.0 Cg_endo -76.01 146.33 29.05 Favored 'Trans proline' 0 N--CA 1.46 -0.462 0 C-N-CA 122.606 2.204 . . . . 2.1 111.761 177.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.464 ' HB3' ' O ' ' A' ' 53' ' ' PRO . 19.6 t70 78.73 -52.94 0.47 Allowed 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 123.803 0.841 . . . . 2.44 109.528 -179.857 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 4.1 tpp180 -55.89 132.36 49.44 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 114.804 -1.089 . . . . 4.72 110.689 172.426 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.433 ' CD2' ' HA ' ' A' ' 47' ' ' ASN . 48.4 m-85 -113.95 171.02 7.85 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.296 0.569 . . . . 1.39 111.837 179.124 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -132.74 135.45 45.75 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.269 -0.878 . . . . 1.1 108.662 176.667 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.577 ' HE2' ' OD1' ' A' ' 60' ' ' ASN . 1.5 tmt? -144.2 142.73 30.69 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.594 -0.521 . . . . 1.22 109.594 -176.481 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.439 ' HG2' ' HB2' ' A' ' 44' ' ' LYS . 15.6 pt-20 -149.44 157.97 43.77 Favored 'General case' 0 C--N 1.319 -0.745 0 C-N-CA 120.457 -0.497 . . . . 1.77 111.687 -179.395 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.577 ' OD1' ' HE2' ' A' ' 58' ' ' MET . 31.9 m-80 -130.31 98.98 4.87 Favored 'General case' 0 CA--C 1.513 -0.465 0 CA-C-N 115.281 -0.872 . . . . 1.55 109.7 -178.389 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 93.6 mt -92.01 125.28 36.64 Favored 'General case' 0 C--N 1.316 -0.85 0 N-CA-C 109.752 -0.462 . . . . 2.22 109.752 176.704 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 29.9 p -126.73 -158.33 0.86 Allowed 'General case' 0 N--CA 1.446 -0.647 0 N-CA-C 109.966 -0.383 . . . . 1.16 109.966 -175.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 74.3 p -98.0 -36.29 10.17 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-O 121.151 0.5 . . . . 1.14 110.668 -178.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -102.02 -24.23 14.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.712 -0.676 . . . . 2.64 111.416 -175.608 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.635 ' HG3' ' H ' ' A' ' 66' ' ' ASP . 19.6 tptp -138.49 -146.31 0.21 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.013 0.435 . . . . 2.34 110.227 -174.851 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.635 ' H ' ' HG3' ' A' ' 65' ' ' LYS . 7.7 p-10 163.5 147.69 0.01 OUTLIER 'General case' 0 C--N 1.31 -1.132 0 CA-C-N 114.82 -1.082 . . . . 2.12 108.853 -165.542 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.528 ' HG1' ' HB2' ' A' ' 60' ' ' ASN . 22.3 p -150.5 150.22 30.99 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 108.386 -0.968 . . . . 1.17 108.386 173.512 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 3.5 t-160 -144.12 99.06 3.32 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.419 0.628 . . . . 2.5 109.977 175.276 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 8.8 m-70 -79.6 81.47 5.86 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.021 -0.99 . . . . 0.48 109.289 179.565 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 61.8 mttm -71.65 122.11 19.99 Favored 'General case' 0 C--O 1.235 0.328 0 N-CA-C 112.368 0.507 . . . . 2.79 112.368 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 30.6 m-20 59.41 68.83 0.76 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.07 -0.968 . . . . 2.07 111.312 171.397 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 68.4 p-90 -109.26 144.18 37.74 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 116.032 -0.531 . . . . 0.51 109.836 177.007 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -111.71 136.31 51.13 Favored 'General case' 0 C--N 1.316 -0.869 0 N-CA-C 109.227 -0.657 . . . . 1.22 109.227 176.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.464 ' CD2' ' HA ' ' A' ' 93' ' ' ASP . 6.2 tt -61.77 129.91 43.24 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-O 121.322 0.582 . . . . 2.28 109.985 178.04 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 91.7 9.92 62.22 Favored Glycine 0 N--CA 1.448 -0.539 0 CA-C-N 115.534 -0.757 . . . . 0.66 111.923 -171.391 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -124.6 166.09 16.72 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 110.138 -0.319 . . . . 2.37 110.138 -178.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.445 ' HA ' ' O ' ' A' ' 90' ' ' ILE . 9.8 pt-20 -131.98 146.85 52.34 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.578 -0.897 . . . . 1.4 108.578 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 17.5 p90 -142.17 156.98 45.37 Favored 'General case' 0 C--N 1.308 -1.211 0 CA-C-N 116.557 -0.292 . . . . 0.69 111.409 -176.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -79.1 141.77 37.03 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.349 -0.612 . . . . 2.38 109.349 174.148 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -154.93 158.74 39.71 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 121.135 -0.226 . . . . 1.26 110.668 -174.158 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.517 ' O ' HG21 ' A' ' 67' ' ' THR . 30.9 tt0 -99.06 84.31 3.03 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 108.076 -1.083 . . . . 2.26 108.076 174.708 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -67.73 170.07 8.51 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 114.52 -1.218 . . . . 1.61 113.9 -165.589 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -54.43 -36.12 63.68 Favored 'General case' 0 CA--C 1.519 -0.237 0 CA-C-N 115.873 -0.603 . . . . 1.98 110.47 179.698 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -79.06 17.99 0.69 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.554 -0.748 . . . . 1.55 111.918 -175.632 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 17.6 m 61.78 34.34 17.29 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 115.705 -0.679 . . . . 1.68 112.13 169.515 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 30.6 p -129.69 170.45 13.8 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 116.143 -0.48 . . . . 1.5 110.23 177.318 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 7.8 mm100 -109.04 118.68 37.42 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 108.071 -1.085 . . . . 1.88 108.071 176.736 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . 0.6 ' HB2' ' O ' ' A' ' 105' ' ' ILE . 19.9 p80 -160.96 176.34 11.51 Favored 'General case' 0 C--N 1.318 -0.795 0 C-N-CA 120.169 -0.612 . . . . 1.51 112.233 179.023 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.52 ' HG3' ' HB ' ' A' ' 105' ' ' ILE . 17.9 ptmt -82.5 152.99 25.82 Favored 'General case' 0 N--CA 1.445 -0.718 0 CA-C-N 115.359 -0.837 . . . . 1.95 109.996 -177.489 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.445 ' O ' ' HA ' ' A' ' 77' ' ' GLU . 65.0 mt -142.98 124.03 11.16 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.951 0 CA-C-N 115.438 -0.801 . . . . 1.19 109.697 -178.765 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 16.9 m -111.21 140.51 45.71 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 116.017 -0.538 . . . . 1.12 110.64 -177.761 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -115.89 140.61 49.07 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 109.167 -0.679 . . . . 0.81 109.167 175.552 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.464 ' HA ' ' CD2' ' A' ' 74' ' ' LEU . 7.8 t0 -166.97 165.87 15.66 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.691 -0.485 . . . . 1.69 109.691 178.875 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.402 ' CD2' ' HA ' ' A' ' 100' ' ' LEU . 3.5 mt -103.6 127.56 51.01 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.869 0.366 . . . . 1.81 110.151 177.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 42.7 tttm -83.26 -47.21 11.76 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 107.279 -1.378 . . . . 3.48 107.279 173.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . 0.47 ' C ' ' H ' ' A' ' 98' ' ' ASN . 12.9 m-20 -135.97 166.12 30.61 Favored Pre-proline 0 C--N 1.319 -0.733 0 N-CA-C 106.653 -1.61 . . . . 1.79 106.653 171.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 14.9 Cg_exo -70.96 6.83 1.54 Allowed 'Trans proline' 0 CA--C 1.528 0.199 0 C-N-CA 122.433 2.089 . . . . 1.07 110.979 176.294 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . 0.47 ' H ' ' C ' ' A' ' 96' ' ' ASP . 16.8 m120 -121.87 9.38 10.03 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 114.847 -1.07 . . . . 2.63 110.066 178.418 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 58.5 m -154.31 109.52 3.12 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-O 121.333 0.587 . . . . 1.26 112.159 -178.279 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.466 ' HB3' ' HB2' ' A' ' 118' ' ' TYR . 28.8 tp -87.66 143.65 27.07 Favored 'General case' 0 C--O 1.215 -0.733 0 CA-C-N 115.165 -0.925 . . . . 1.78 108.696 171.802 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 17.1 p -121.53 133.67 55.03 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 118.934 0.788 . . . . 1.11 111.577 179.62 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 62.0 tt0 -112.29 100.15 8.57 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.873 -0.788 . . . . 1.31 108.873 174.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 37.0 m -96.13 111.87 23.78 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.185 0.517 . . . . 1.12 110.842 -174.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' HIS . . . . . 0.462 ' HB3' ' CE1' ' A' ' 88' ' ' HIS . 39.4 m170 -93.46 108.42 20.11 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.825 -0.625 . . . . 2.22 109.849 179.841 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.6 ' O ' ' HB2' ' A' ' 88' ' ' HIS . 29.3 mt -110.98 118.69 57.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-O 121.224 0.535 . . . . 1.36 110.947 178.611 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . 0.58 ' HA ' ' CB ' ' A' ' 88' ' ' HIS . 97.5 mttt -64.26 114.92 4.56 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.486 -0.779 . . . . 2.12 111.619 177.414 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . 0.428 HG11 ' H ' ' A' ' 89' ' ' LYS . 14.2 m -58.07 -23.38 21.29 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-N 114.957 -1.019 . . . . 2.03 111.844 178.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -81.71 -42.13 20.3 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.277 -0.42 . . . . 2.5 110.453 178.712 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -146.03 98.08 4.43 Favored Pre-proline 0 C--N 1.322 -0.614 0 CA-C-O 121.456 0.646 . . . . 2.39 110.203 -178.502 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -75.37 17.35 0.64 Allowed 'Trans proline' 0 C--N 1.331 -0.351 0 C-N-CA 123.496 2.797 . . . . 0.91 113.873 -177.011 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 65.5 p -107.95 -17.79 13.96 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.237 -0.585 . . . . 1.91 110.684 175.523 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -99.15 43.57 1.05 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 122.104 0.954 . . . . 1.59 109.033 178.369 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 23.5 m -64.72 -172.99 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 114.207 -1.361 . . . . 2.17 113.778 -178.5 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -165.05 143.0 6.23 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 114.474 -1.239 . . . . 2.78 108.511 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 50.7 m -144.26 131.48 20.7 Favored 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 120.259 -0.576 . . . . 1.18 112.208 -179.453 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 9.3 m-30 -111.09 160.44 16.88 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 106.813 -1.551 . . . . 1.49 106.813 172.224 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . 0.467 ' CG ' ' HB3' ' A' ' 128' ' ' LYS . 12.7 pt-20 -143.24 137.95 29.29 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 119.187 0.903 . . . . 1.53 109.471 176.41 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . 0.466 ' HB2' ' HB3' ' A' ' 100' ' ' LEU . 78.5 m-85 -107.14 114.84 29.16 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.685 -0.689 . . . . 1.0 111.194 -173.14 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 24.4 ptt180 -123.23 150.4 43.49 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.712 -0.676 . . . . 3.96 109.731 177.453 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . 0.577 ' HD3' ' O ' ' A' ' 6' ' ' LYS . 8.6 tpt180 -103.64 120.34 40.72 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.834 0.35 . . . . 2.25 110.82 -175.55 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -117.37 93.58 4.23 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.589 -0.523 . . . . 1.08 109.589 176.74 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 66.89 -114.64 6.56 Favored Glycine 0 N--CA 1.447 -0.623 0 C-N-CA 120.844 -0.693 . . . . 1.04 111.658 -176.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . 0.418 ' HA ' HH21 ' A' ' 120' ' ' ARG . 39.8 m-20 -99.77 3.94 45.11 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.038 0.446 . . . . 2.31 110.472 177.888 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . 0.673 ' CD2' ' HB3' ' A' ' 141' ' ' LYS . 80.6 m-85 -107.37 131.4 54.29 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.211 0.529 . . . . 1.17 111.574 -175.593 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . 0.427 ' O ' ' HB2' ' A' ' 140' ' ' TYR . 3.2 tm? -86.87 113.6 22.8 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 107.491 -1.299 . . . . 1.66 107.491 173.294 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 54.6 t -111.8 134.44 54.22 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.951 0 N-CA-C 109.707 -0.479 . . . . 1.1 109.707 -171.509 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' MET . . . . . 0.781 ' SD ' ' HE3' ' A' ' 43' ' ' LYS . 94.1 mtp -110.81 153.54 25.24 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-N 116.097 -0.501 . . . . 1.4 111.117 -177.899 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . 0.467 ' HB3' ' CG ' ' A' ' 117' ' ' GLU . 33.8 tttm -134.3 134.69 42.16 Favored 'General case' 0 C--N 1.309 -1.154 0 CA-C-N 115.145 -0.934 . . . . 2.68 109.119 173.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 129' ' ' MET . . . . . 0.458 ' HG3' ' CG2' ' A' ' 136' ' ' THR . 7.7 ptm -142.24 130.38 22.07 Favored 'General case' 0 C--N 1.313 -0.98 0 N-CA-C 108.413 -0.958 . . . . 1.66 108.413 177.011 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -131.25 125.09 31.95 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.171 0.51 . . . . 1.5 111.912 -172.264 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 131' ' ' TRP . . . . . 0.485 ' CD1' ' HA ' ' A' ' 26' ' ' ARG . 52.4 t-105 -134.84 125.83 27.6 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.499 -0.773 . . . . 0.88 109.644 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 93.7 mttt 52.77 44.34 30.36 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.893 -0.594 . . . . 2.42 111.667 -177.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 85.51 -30.77 4.03 Favored Glycine 0 CA--C 1.519 0.312 0 C-N-CA 120.962 -0.637 . . . . 0.53 112.918 179.572 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 23.1 t -75.13 105.64 4.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 121.002 0.429 . . . . 1.13 110.454 -176.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -102.25 138.42 39.21 Favored 'General case' 0 N--CA 1.434 -1.231 0 CA-C-N 115.954 -0.567 . . . . 1.64 110.349 177.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 136' ' ' THR . . . . . 0.458 ' CG2' ' HG3' ' A' ' 129' ' ' MET . 3.3 t -129.61 142.33 50.76 Favored 'General case' 0 C--N 1.309 -1.19 0 CA-C-N 115.741 -0.663 . . . . 1.1 110.206 178.588 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 137' ' ' SER . . . . . 0.54 ' HA ' ' O ' ' A' ' 127' ' ' MET . 17.8 m -114.98 118.07 32.4 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.771 -0.65 . . . . 1.06 110.104 178.569 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 60.3 mtp180 -94.33 140.2 30.1 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.378 -0.601 . . . . 2.41 109.378 177.094 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 -105.63 110.03 22.2 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.298 0.571 . . . . 1.03 111.489 -174.514 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 140' ' ' TYR . . . . . 0.57 ' CE2' HD22 ' A' ' 13' ' ' LEU . 14.6 m-85 -110.97 154.8 23.62 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.182 -0.917 . . . . 0.92 109.019 174.282 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 141' ' ' LYS . . . . . 0.673 ' HB3' ' CD2' ' A' ' 124' ' ' TYR . 0.0 OUTLIER -134.83 177.14 8.02 Favored 'General case' 0 C--N 1.311 -1.09 0 N-CA-C 107.069 -1.456 . . . . 2.41 107.069 163.582 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 142' ' ' LYS . . . . . 0.427 ' HA ' ' HA ' ' A' ' 11' ' ' PHE . 60.8 tttm -52.07 166.07 0.18 Allowed 'General case' 0 C--N 1.315 -0.924 0 CA-C-O 121.562 0.696 . . . . 2.59 111.328 176.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . 0.7 ' NE2' ' HB3' ' A' ' 12' ' ' LYS . 44.9 mm-40 . . . . . 0 C--N 1.316 -0.86 0 N-CA-C 108.984 -0.747 . . . . 1.74 108.984 159.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 2.6 m . . . . . 0 N--CA 1.444 -0.729 0 N-CA-C 110.072 -0.344 . . . . 1.44 110.072 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.561 ' HB2' ' CE1' ' A' ' 56' ' ' TYR . 0.2 OUTLIER -59.38 120.0 44.37 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 115.783 -0.644 . . . . 1.33 110.579 -178.928 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . 0.401 ' HD2' HD22 ' A' ' 3' ' ' LEU . 31.6 Cg_exo -57.81 130.58 39.2 Favored 'Trans proline' 0 N--CA 1.462 -0.333 0 C-N-CA 122.532 2.155 . . . . 0.81 110.795 174.065 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -59.8 -20.24 55.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.003 -0.544 . . . . 2.19 112.276 -175.075 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 57.7 mtmt -70.9 -7.3 44.8 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 111.998 0.37 . . . . 3.1 111.998 177.396 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 31.4 m-85 -93.38 -6.58 46.87 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.623 -0.51 . . . . 0.74 109.623 172.034 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.402 HD22 ' HB3' ' A' ' 45' ' ' PHE . 87.6 mt -100.8 156.97 17.06 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.462 0.649 . . . . 1.12 111.514 -171.534 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 131.31 -147.11 18.41 Favored Glycine 0 N--CA 1.443 -0.844 0 CA-C-N 114.813 -1.085 . . . . 0.52 111.34 -179.546 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.552 ' OG1' ' HG2' ' A' ' 44' ' ' LYS . 12.9 t -153.63 141.59 20.23 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-O 121.062 0.458 . . . . 1.62 110.096 177.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.6 ' HA ' ' HA ' ' A' ' 142' ' ' LYS . 64.8 m-85 -132.12 135.41 46.38 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 115.865 -0.607 . . . . 0.57 111.895 -175.767 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.657 ' HG2' HE21 ' A' ' 143' ' ' GLN . 38.1 mtmt -75.3 -161.17 0.14 Allowed 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 109.082 -0.71 . . . . 2.65 109.082 163.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.47 HD12 ' HB ' ' A' ' 41' ' ' VAL . 3.8 tt -135.26 108.59 7.81 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.139 -0.689 . . . . 1.79 109.139 -176.352 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -83.66 -48.33 10.29 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.459 -0.337 . . . . 2.08 111.195 -178.297 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 1.7 ptm180 -163.75 -174.55 3.72 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.282 0.563 . . . . 3.92 111.633 -177.324 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.51 ' HB3' ' HE ' ' A' ' 138' ' ' ARG . 2.8 p30 -156.28 172.33 18.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.431 -0.804 . . . . 1.19 109.594 176.686 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -143.49 114.28 7.66 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.645 -0.252 . . . . 2.66 110.781 -178.205 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 48.9 t30 74.18 22.6 2.26 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-O 121.644 0.735 . . . . 0.97 111.118 175.51 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 68.5 t80 -73.74 -37.24 65.14 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.475 -0.784 . . . . 0.64 110.919 -174.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -59.47 -48.0 83.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.422 -0.354 . . . . 2.04 111.069 177.509 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.406 ' HA ' ' HD3' ' A' ' 24' ' ' LYS . 40.3 mm-40 -56.51 -40.03 74.3 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 116.225 -0.443 . . . . 1.79 111.006 176.528 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.422 ' CE1' ' HE3' ' A' ' 129' ' ' MET . 89.1 t80 -57.6 -38.24 74.56 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.163 -0.471 . . . . 1.12 110.976 176.473 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 95.4 mt -66.35 -38.97 88.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.947 0.403 . . . . 1.13 110.705 -179.26 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.406 ' HD3' ' HA ' ' A' ' 21' ' ' GLU . 55.8 mtpt -62.41 -44.96 95.2 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.682 -0.69 . . . . 2.43 109.765 177.164 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.74 -41.12 90.23 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.248 -0.887 . . . . 1.2 110.899 176.422 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 13.5 mmm180 -66.18 -15.12 62.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.941 -0.572 . . . . 1.71 111.738 -178.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 94.85 18.29 35.18 Favored Glycine 0 N--CA 1.447 -0.598 0 C-N-CA 120.568 -0.825 . . . . 0.62 112.372 179.174 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 40.3 m-85 -86.91 127.47 35.06 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.853 0.359 . . . . 0.99 110.415 178.215 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.493 ' O ' ' HG3' ' A' ' 33' ' ' ARG . . . -71.88 172.9 45.68 Favored Glycine 0 N--CA 1.445 -0.758 0 CA-C-N 115.713 -0.676 . . . . 1.54 112.414 179.331 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.576 ' O ' ' HG2' ' A' ' 34' ' ' GLN . 86.3 t90 -51.0 -50.07 59.22 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 122.765 0.426 . . . . 1.31 111.757 -176.727 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 1.1 mm -55.6 -53.1 40.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 N-CA-C 112.137 0.421 . . . . 2.68 112.137 -179.082 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.535 ' O ' HG13 ' A' ' 36' ' ' ILE . 45.6 mmm -56.92 -41.46 78.21 Favored 'General case' 0 CA--C 1.51 -0.578 0 CA-C-N 116.446 -0.343 . . . . 1.16 111.134 179.013 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.564 ' O ' ' HG3' ' A' ' 37' ' ' LYS . 75.7 mtm-85 -64.23 -31.03 72.07 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 120.922 -0.311 . . . . 2.48 110.513 179.632 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.576 ' HG2' ' O ' ' A' ' 30' ' ' TRP . 27.4 mm-40 -67.15 -24.61 65.91 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.246 0.546 . . . . 2.4 109.999 178.838 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 72.1 t -86.12 -65.72 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 115.594 -0.73 . . . . 1.33 110.536 174.647 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.535 HG13 ' O ' ' A' ' 32' ' ' MET . 57.3 mt -47.05 -55.0 2.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 N-CA-C 114.673 1.36 . . . . 1.25 114.673 -173.294 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.564 ' HG3' ' O ' ' A' ' 33' ' ' ARG . 0.0 OUTLIER -88.86 18.02 5.16 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 119.628 -0.829 . . . . 1.62 112.124 -174.181 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.597 ' C ' HD12 ' A' ' 38' ' ' LEU . 2.3 tm? -119.68 -41.09 2.71 Favored 'General case' 0 N--CA 1.442 -0.835 0 N-CA-C 109.345 -0.613 . . . . 2.6 109.345 178.343 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -54.34 141.18 31.07 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 115.923 -0.58 . . . . 1.15 112.236 -179.343 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -78.18 141.23 24.79 Favored Glycine 0 N--CA 1.449 -0.472 0 CA-C-N 115.728 -0.669 . . . . 0.84 111.87 176.772 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.47 ' HB ' HD12 ' A' ' 13' ' ' LEU . 37.7 t -126.66 128.91 71.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 120.906 0.384 . . . . 1.88 110.757 -176.277 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.409 ' HB ' ' HB2' ' A' ' 61' ' ' LEU . 19.3 m -114.91 113.66 24.46 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.749 -0.66 . . . . 1.13 109.659 175.838 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.448 ' NZ ' ' HE3' ' A' ' 127' ' ' MET . 17.2 ttmt -107.49 137.36 45.66 Favored 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 121.068 -0.253 . . . . 1.45 110.571 -174.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.552 ' HG2' ' OG1' ' A' ' 10' ' ' THR . 27.0 mtpp -134.0 143.14 47.95 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 116.571 -0.286 . . . . 2.46 111.629 -173.839 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.508 ' CE2' ' HG3' ' A' ' 58' ' ' MET . 44.6 m-85 -130.85 129.11 41.91 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.844 -0.616 . . . . 0.63 109.539 171.676 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.419 ' HG3' ' HB3' ' A' ' 57' ' ' ASP . 2.5 ptp180 -152.59 176.07 12.1 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 120.786 0.327 . . . . 3.72 110.694 178.788 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 15.1 m120 -57.89 162.56 3.18 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.744 -0.662 . . . . 1.9 109.543 170.661 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.459 ' HB1' ' OD1' ' A' ' 71' ' ' ASP . . . -60.04 161.76 6.42 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.947 0.404 . . . . 1.18 111.842 -176.281 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -45.89 -63.12 1.05 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.142 -0.935 . . . . 1.94 112.716 -177.504 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 32.0 t -69.96 -33.5 72.19 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.235 0.54 . . . . 2.82 109.58 179.763 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 114.13 32.23 2.06 Favored Glycine 0 N--CA 1.45 -0.385 0 CA-C-N 115.602 -0.726 . . . . 1.96 113.305 171.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 5.3 mptp? -78.95 136.05 58.42 Favored Pre-proline 0 C--N 1.324 -0.526 0 CA-C-N 116.755 0.278 . . . . 3.54 110.35 177.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 33.2 Cg_endo -65.92 157.01 61.44 Favored 'Trans proline' 0 CA--C 1.528 0.208 0 C-N-CA 122.896 2.397 . . . . 2.1 111.994 177.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 59.39 13.66 3.31 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-O 121.734 0.778 . . . . 2.44 110.586 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 95.4 mtt180 -135.86 130.53 34.04 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 114.326 -1.306 . . . . 4.72 107.728 172.643 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.561 ' CE1' ' HB2' ' A' ' 3' ' ' LEU . 84.2 m-85 -129.07 170.61 13.29 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-O 121.349 0.595 . . . . 1.39 112.313 -173.695 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.419 ' HB3' ' HG3' ' A' ' 46' ' ' ARG . 8.6 t70 -126.65 141.76 51.75 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 114.912 -1.04 . . . . 1.1 109.084 -179.425 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.531 ' HG2' ' O ' ' A' ' 44' ' ' LYS . 2.0 tmt? -151.11 149.86 30.0 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 109.151 -0.685 . . . . 1.22 109.151 -177.595 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -152.73 156.0 38.31 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.166 0.508 . . . . 1.77 111.89 -177.362 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -122.75 85.51 2.43 Favored 'General case' 0 CA--C 1.519 -0.216 0 N-CA-C 108.053 -1.092 . . . . 1.55 108.053 -178.705 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.442 HD22 ' HB3' ' A' ' 66' ' ' ASP . 87.6 mt -77.81 132.0 37.84 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 120.584 0.231 . . . . 2.22 110.601 -177.489 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 17.4 p -135.22 -153.93 0.55 Allowed 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.882 -0.414 . . . . 1.16 109.882 -177.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 62.0 p -106.16 -28.05 10.7 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.169 0.509 . . . . 1.14 110.676 178.132 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 43.6 mmtm -102.07 -31.74 10.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.73 -0.668 . . . . 2.64 112.293 -170.435 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.519 ' O ' HD13 ' A' ' 83' ' ' LEU . 55.1 tptt -165.29 133.11 3.08 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 109.448 -0.575 . . . . 2.34 109.448 -175.543 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.442 ' HB3' HD22 ' A' ' 61' ' ' LEU . 10.7 m-20 -113.98 125.23 53.79 Favored 'General case' 0 C--N 1.318 -0.762 0 C-N-CA 120.52 -0.472 . . . . 2.12 110.877 -177.601 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.466 HG22 HD12 ' A' ' 83' ' ' LEU . 3.3 p -87.86 149.57 24.04 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 109.386 -0.598 . . . . 1.17 109.386 175.864 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.473 ' CD2' ' HB3' ' A' ' 70' ' ' LYS . 4.4 t-160 -137.16 88.64 2.37 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-O 121.263 0.554 . . . . 2.5 109.625 175.544 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.485 ' HD2' ' SD ' ' A' ' 58' ' ' MET . 7.2 m-70 -77.73 83.51 4.09 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 108.4 -0.963 . . . . 0.48 108.4 176.698 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.473 ' HB3' ' CD2' ' A' ' 68' ' ' HIS . 1.5 ptmm? -98.11 134.52 41.07 Favored 'General case' 0 C--N 1.314 -0.943 0 CA-C-N 116.04 -0.527 . . . . 2.79 112.252 -175.206 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.459 ' OD1' ' HB1' ' A' ' 48' ' ' ALA . 20.1 m-20 62.68 62.66 1.07 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 114.848 -1.069 . . . . 2.07 111.432 175.159 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 66.3 p-90 -119.45 159.87 23.44 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.169 0.509 . . . . 0.51 110.59 177.009 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.518 ' O ' ' HB3' ' A' ' 76' ' ' GLU . . . -127.76 154.07 45.8 Favored 'General case' 0 C--N 1.313 -0.995 0 N-CA-C 109.151 -0.685 . . . . 1.22 109.151 171.35 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.595 HD11 ' H ' ' A' ' 74' ' ' LEU . 0.0 OUTLIER -63.55 143.85 57.48 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.561 0.696 . . . . 2.28 110.396 174.345 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 81.08 2.05 90.27 Favored Glycine 0 C--N 1.317 -0.506 0 CA-C-N 115.426 -0.806 . . . . 0.66 111.687 -171.605 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.518 ' HB3' ' O ' ' A' ' 73' ' ' ALA . 42.1 tt0 -113.61 158.42 20.84 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.737 0.303 . . . . 2.37 110.215 -177.173 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -140.76 145.38 36.31 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 108.907 -0.775 . . . . 1.4 108.907 -176.45 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.471 ' CZ ' ' HB3' ' A' ' 69' ' ' HIS . 19.6 p90 -144.55 163.6 33.4 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 116.641 -0.254 . . . . 0.69 111.372 -174.592 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -82.02 143.95 31.21 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 108.536 -0.913 . . . . 2.38 108.536 171.625 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -146.41 159.78 42.94 Favored 'General case' 0 C--O 1.248 0.985 0 N-CA-C 112.544 0.572 . . . . 1.26 112.544 -173.02 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.456 ' CD ' HE22 ' A' ' 87' ' ' GLN . 41.2 mm-40 -90.52 75.61 6.7 Favored 'General case' 0 C--N 1.343 0.314 0 CA-C-N 114.68 -1.145 . . . . 2.26 109.317 179.402 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.07 148.54 35.39 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-N 115.613 -0.721 . . . . 1.61 112.877 -169.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.558 HD22 ' H ' ' A' ' 83' ' ' LEU . 1.5 mm? -52.51 -29.12 23.52 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 115.304 -0.862 . . . . 1.98 110.244 177.263 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -72.49 5.78 2.79 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 114.497 -1.229 . . . . 1.55 111.705 -175.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 40.3 m 68.52 22.06 7.86 Favored 'General case' 0 N--CA 1.464 0.243 0 C-N-CA 123.038 0.535 . . . . 1.68 110.474 179.308 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 3.0 p -119.7 162.13 19.54 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.761 -0.654 . . . . 1.5 111.274 -178.497 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . 0.537 ' HA ' HE21 ' A' ' 87' ' ' GLN . 0.1 OUTLIER -109.6 109.63 20.45 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 108.938 -0.764 . . . . 1.88 108.938 -179.616 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . 0.52 ' CB ' ' HA ' ' A' ' 106' ' ' LYS . 25.7 p80 -154.49 176.97 11.71 Favored 'General case' 0 C--N 1.318 -0.784 0 C-N-CA 119.007 -1.077 . . . . 1.51 112.599 -177.704 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 26.6 ttpp -81.54 148.17 29.28 Favored 'General case' 0 N--CA 1.444 -0.757 0 CA-C-N 114.772 -1.104 . . . . 1.95 110.639 -174.415 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 56.0 mt -142.0 129.44 20.53 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.835 0 CA-C-N 115.018 -0.992 . . . . 1.19 109.542 177.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 20.9 m -114.49 140.32 48.83 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 116.125 -0.488 . . . . 1.12 110.788 -177.469 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.477 ' CD2' HD21 ' A' ' 100' ' ' LEU . 10.2 m-85 -114.61 131.06 56.83 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 108.802 -0.814 . . . . 0.81 108.802 173.8 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -148.48 136.96 21.36 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 120.898 0.38 . . . . 1.69 110.854 -178.388 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -89.21 108.66 19.74 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 108.905 -0.776 . . . . 1.81 108.905 175.67 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 48.9 tptt -86.0 -54.07 4.71 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.158 -0.682 . . . . 3.48 109.158 -173.534 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . 0.428 ' C ' ' H ' ' A' ' 98' ' ' ASN . 13.2 m-20 -121.68 163.86 28.39 Favored Pre-proline 0 C--N 1.319 -0.737 0 N-CA-C 107.995 -1.113 . . . . 1.79 107.995 174.778 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_exo -67.42 5.33 0.96 Allowed 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 122.981 2.454 . . . . 1.07 112.374 -177.095 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . 0.428 ' H ' ' C ' ' A' ' 96' ' ' ASP . 9.4 p30 -144.86 19.86 1.63 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.498 -0.774 . . . . 2.63 110.07 179.046 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 24.7 m -145.85 109.82 4.89 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-O 120.995 0.426 . . . . 1.26 111.673 -178.592 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.491 HD22 ' N ' ' A' ' 101' ' ' THR . 7.1 tt -98.54 140.89 32.1 Favored 'General case' 0 C--O 1.217 -0.61 0 N-CA-C 108.449 -0.945 . . . . 1.78 108.449 175.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' THR . . . . . 0.491 ' N ' HD22 ' A' ' 100' ' ' LEU . 12.0 p -118.79 132.91 56.14 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 118.777 0.717 . . . . 1.11 111.397 179.342 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 58.6 tt0 -113.66 105.77 13.72 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.681 -0.69 . . . . 1.31 109.48 177.082 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 12.8 m -102.63 114.41 28.61 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.035 0.445 . . . . 1.12 111.281 -175.089 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' HIS . . . . . 0.501 ' HB2' ' HB3' ' A' ' 114' ' ' GLU . 11.9 m170 -95.63 119.33 33.94 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.423 -0.584 . . . . 2.22 109.423 177.721 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.512 ' O ' ' HB2' ' A' ' 88' ' ' HIS . 42.2 mt -120.39 119.2 59.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-O 121.201 0.524 . . . . 1.36 111.046 174.424 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . 0.55 ' HB3' ' OD2' ' A' ' 108' ' ' ASP . 94.0 mttt -67.2 108.44 2.7 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.202 -0.908 . . . . 2.12 111.23 177.623 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 28.6 m -59.53 -21.53 21.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.001 -1.0 . . . . 2.03 112.661 -178.408 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . 0.55 ' OD2' ' HB3' ' A' ' 106' ' ' LYS . 17.6 p-10 -80.43 -40.59 26.08 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.829 0.347 . . . . 2.5 110.45 -179.533 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -150.21 95.05 3.64 Favored Pre-proline 0 C--N 1.325 -0.489 0 N-CA-C 109.289 -0.634 . . . . 2.39 109.289 177.637 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_endo -72.55 11.21 0.84 Allowed 'Trans proline' 0 C--O 1.233 0.261 0 C-N-CA 123.412 2.742 . . . . 0.91 112.439 -176.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 34.5 p -75.03 -24.82 58.37 Favored 'General case' 0 N--CA 1.447 -0.6 0 N-CA-C 109.003 -0.739 . . . . 1.91 109.003 173.063 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -112.63 119.2 37.29 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 115.038 -0.983 . . . . 1.59 109.512 174.627 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.439 ' CG1' HG12 ' A' ' 105' ' ' ILE . 32.9 m -131.13 -166.78 0.49 Allowed 'Isoleucine or valine' 0 N--CA 1.433 -1.306 0 N-CA-C 108.269 -1.011 . . . . 2.17 108.269 178.268 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . 0.501 ' HB3' ' HB2' ' A' ' 104' ' ' HIS . 43.6 tt0 -173.67 123.07 0.35 Allowed 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 118.149 0.431 . . . . 2.78 110.259 -172.359 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 4.2 m -127.67 132.82 49.64 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.207 0.527 . . . . 1.18 112.298 -173.384 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 8.3 m-85 -106.08 165.87 10.91 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 107.427 -1.323 . . . . 1.49 107.427 168.448 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . 0.51 ' HG2' ' O ' ' A' ' 128' ' ' LYS . 12.8 pt-20 -146.53 124.9 12.3 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 107.865 -1.161 . . . . 1.53 107.865 167.431 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . 0.481 ' HB2' ' HB3' ' A' ' 100' ' ' LEU . 15.5 m-85 -93.91 112.56 24.43 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.304 -0.862 . . . . 1.0 111.148 -170.837 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 59.3 mtt180 -120.95 142.34 49.84 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 108.639 -0.875 . . . . 3.96 108.639 174.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.99 146.69 25.25 Favored 'General case' 0 C--N 1.32 -0.695 0 C-N-CA 120.347 -0.541 . . . . 2.25 111.046 -177.435 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -136.97 68.09 1.43 Allowed 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.432 -0.804 . . . . 1.08 108.925 173.364 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 77.0 -110.49 3.03 Favored Glycine 0 N--CA 1.447 -0.594 0 CA-C-N 115.412 -0.813 . . . . 1.04 112.261 -178.667 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -93.12 8.76 38.8 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.158 0.504 . . . . 2.31 110.319 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . 0.561 ' CE2' ' HE3' ' A' ' 141' ' ' LYS . 97.8 m-85 -116.24 126.65 53.89 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.518 -0.765 . . . . 1.17 110.946 -179.428 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -88.97 120.88 30.78 Favored 'General case' 0 C--N 1.316 -0.857 0 N-CA-C 106.699 -1.593 . . . . 1.66 106.699 166.429 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 13.8 t -102.02 106.21 19.36 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.211 0 CA-C-O 121.454 0.645 . . . . 1.1 109.405 -173.089 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' MET . . . . . 0.448 ' HE3' ' NZ ' ' A' ' 43' ' ' LYS . 6.6 ttm -81.1 120.36 24.74 Favored 'General case' 0 C--N 1.313 -0.983 0 CA-C-N 114.698 -1.137 . . . . 1.4 109.791 178.657 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . 0.51 ' O ' ' HG2' ' A' ' 117' ' ' GLU . 23.3 tptm -116.46 116.35 27.5 Favored 'General case' 0 C--N 1.314 -0.971 0 N-CA-C 108.831 -0.803 . . . . 2.68 108.831 179.568 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 129' ' ' MET . . . . . 0.422 ' HE3' ' CE1' ' A' ' 22' ' ' TYR . 4.6 ptm -135.85 146.83 47.88 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-N 115.622 -0.717 . . . . 1.66 109.341 -176.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 10.4 p -147.46 137.67 23.12 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.067 0.46 . . . . 1.5 111.818 -174.483 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 131' ' ' TRP . . . . . 0.468 ' CD1' ' HG3' ' A' ' 132' ' ' LYS . 43.0 t-105 -145.27 131.06 19.04 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.486 -0.779 . . . . 0.88 109.778 176.312 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . 0.468 ' HG3' ' CD1' ' A' ' 131' ' ' TRP . 68.2 mttm 52.31 41.75 30.63 Favored 'General case' 0 C--N 1.329 -0.326 0 O-C-N 123.624 0.578 . . . . 2.42 111.138 -177.514 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 80.78 -23.12 4.45 Favored Glycine 0 CA--C 1.521 0.448 0 C-N-CA 120.963 -0.637 . . . . 0.53 112.982 179.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 13.4 t -69.69 102.96 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 N-CA-C 109.696 -0.483 . . . . 1.13 109.696 -179.159 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 1.9 m -99.8 139.47 35.43 Favored 'General case' 0 N--CA 1.433 -1.31 0 CA-C-N 115.85 -0.614 . . . . 1.64 110.517 -178.811 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 136' ' ' THR . . . . . 0.4 HG22 ' CG ' ' A' ' 129' ' ' MET . 3.3 t -138.07 140.22 39.92 Favored 'General case' 0 C--N 1.309 -1.168 0 CA-C-N 115.4 -0.818 . . . . 1.1 110.747 -179.325 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 17.0 m -116.61 109.24 16.96 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.59 -0.732 . . . . 1.06 109.649 176.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 138' ' ' ARG . . . . . 0.51 ' HE ' ' HB3' ' A' ' 16' ' ' ASP . 20.7 ttm180 -99.51 125.64 45.31 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.153 -0.476 . . . . 2.41 110.1 178.79 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 94.9 m-85 -97.29 110.5 23.04 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.238 0.542 . . . . 1.03 111.085 -173.375 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 52.3 m-85 -94.01 119.36 32.78 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.345 -0.843 . . . . 0.92 109.688 178.228 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 141' ' ' LYS . . . . . 0.561 ' HE3' ' CE2' ' A' ' 124' ' ' TYR . 1.5 tppp? -102.55 127.23 49.71 Favored 'General case' 0 C--O 1.207 -1.137 0 N-CA-C 108.193 -1.039 . . . . 2.41 108.193 -175.415 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 142' ' ' LYS . . . . . 0.6 ' HA ' ' HA ' ' A' ' 11' ' ' PHE . 84.2 tttt -38.63 158.54 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 124.645 1.178 . . . . 2.59 113.906 -172.788 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . 0.657 HE21 ' HG2' ' A' ' 12' ' ' LYS . 2.8 mt-30 . . . . . 0 C--O 1.247 0.946 0 O-C-N 120.9 -1.125 . . . . 1.74 110.598 164.145 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 38.7 m . . . . . 0 N--CA 1.446 -0.634 0 N-CA-C 108.186 -1.042 . . . . 1.44 108.186 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.416 ' HB2' ' CE1' ' A' ' 56' ' ' TYR . 0.2 OUTLIER -59.43 116.48 16.52 Favored Pre-proline 0 C--N 1.327 -0.377 0 O-C-N 123.335 0.397 . . . . 1.33 110.78 -175.382 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -54.29 126.26 21.58 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.793 2.329 . . . . 0.81 111.01 175.511 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -56.68 -22.53 35.42 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.879 -0.601 . . . . 2.19 112.529 -174.198 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 14.9 mmmm -63.8 -21.55 66.48 Favored 'General case' 0 N--CA 1.463 0.185 0 N-CA-C 111.854 0.316 . . . . 3.1 111.854 177.01 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -92.19 0.43 57.46 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 121.171 -0.212 . . . . 0.74 110.901 -178.427 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.439 HD21 ' HB3' ' A' ' 45' ' ' PHE . 96.2 mt -96.25 152.28 18.72 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.308 0.575 . . . . 1.12 111.745 -174.534 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 125.18 168.11 12.69 Favored Glycine 0 N--CA 1.444 -0.79 0 CA-C-N 115.222 -0.899 . . . . 0.52 112.027 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.43 HG21 ' HG2' ' A' ' 44' ' ' LYS . 93.2 m -96.62 120.41 36.89 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.572 -0.529 . . . . 1.62 109.572 175.261 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.452 ' HA ' ' HA ' ' A' ' 142' ' ' LYS . 51.0 m-85 -112.81 129.89 56.28 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.226 -0.443 . . . . 0.57 111.193 -174.347 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.711 ' HB3' ' NE2' ' A' ' 143' ' ' GLN . 21.9 ptmt -95.07 130.95 41.56 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 120.181 -0.608 . . . . 2.65 111.021 170.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.435 HD21 ' N ' ' A' ' 14' ' ' GLU . 4.9 tt -62.45 129.15 39.36 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-N 116.045 -0.525 . . . . 1.79 110.665 177.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.435 ' N ' HD21 ' A' ' 13' ' ' LEU . 32.6 tt0 -102.85 -52.47 3.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.148 -0.478 . . . . 2.08 110.786 176.543 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 24.7 ptt-85 -153.59 175.24 13.44 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.204 -0.453 . . . . 3.92 110.299 -172.626 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -166.02 175.96 8.12 Favored 'General case' 0 C--N 1.329 -0.308 0 O-C-N 122.965 0.166 . . . . 1.19 110.877 -179.388 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -149.05 132.34 16.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.182 -0.463 . . . . 2.66 111.168 -176.376 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 63.3 t30 71.21 23.5 4.06 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-O 121.59 0.71 . . . . 0.97 111.394 171.667 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 52.0 t80 -73.15 -40.21 65.06 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.788 -0.642 . . . . 0.64 111.175 -175.56 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.576 ' OD1' ' HE3' ' A' ' 24' ' ' LYS . 20.6 t70 -59.64 -48.85 80.05 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.849 0.357 . . . . 2.04 110.835 179.73 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 52.0 mm-40 -58.12 -38.09 75.84 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 115.986 -0.552 . . . . 1.79 110.935 178.752 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.496 ' CE1' ' HE1' ' A' ' 129' ' ' MET . 77.4 t80 -59.24 -41.04 87.8 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 120.878 0.371 . . . . 1.12 110.655 174.816 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 85.2 mt -63.97 -40.23 95.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.253 -0.431 . . . . 1.13 110.355 -178.355 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.576 ' HE3' ' OD1' ' A' ' 20' ' ' ASP . 97.0 mttt -62.78 -46.22 89.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.025 -0.534 . . . . 2.43 110.438 178.241 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.03 -40.44 85.03 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.305 -0.861 . . . . 1.2 111.094 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 13.8 mmm180 -73.74 -8.04 54.45 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.916 -0.584 . . . . 1.71 111.773 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 96.68 12.82 49.39 Favored Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 120.475 -0.869 . . . . 0.62 112.782 175.58 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 63.3 m-85 -81.31 125.37 30.27 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.927 0.394 . . . . 0.99 110.605 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -75.23 -178.92 43.1 Favored Glycine 0 N--CA 1.447 -0.581 0 CA-C-N 115.565 -0.743 . . . . 1.54 112.982 -178.619 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.545 ' O ' ' HG2' ' A' ' 34' ' ' GLN . 84.1 t90 -53.59 -49.11 68.46 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 123.14 0.576 . . . . 1.31 111.52 -176.592 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 1.3 mm -56.06 -50.92 67.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 120.822 0.344 . . . . 2.68 111.37 179.037 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.533 ' O ' HG13 ' A' ' 36' ' ' ILE . 0.1 OUTLIER -57.07 -43.5 82.17 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.936 -0.575 . . . . 1.16 110.345 177.66 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 48.4 mtm105 -64.48 -23.19 67.19 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.541 -0.299 . . . . 2.48 111.234 178.654 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.545 ' HG2' ' O ' ' A' ' 30' ' ' TRP . 30.3 mm-40 -78.09 -31.26 50.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.777 0.322 . . . . 2.4 110.631 177.007 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.435 ' CG1' ' HG3' ' A' ' 64' ' ' LYS . 95.8 t -88.6 -65.14 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.674 0 CA-C-O 120.838 0.352 . . . . 1.33 111.158 -178.517 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.533 HG13 ' O ' ' A' ' 32' ' ' MET . 28.5 mt -47.11 -46.67 8.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 C-N-CA 124.007 0.923 . . . . 1.25 113.191 -177.545 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -75.19 -18.44 60.16 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.978 0.418 . . . . 1.62 111.66 -173.107 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.537 HD21 ' O ' ' A' ' 34' ' ' GLN . 4.0 mm? -104.66 1.77 29.83 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.901 0.382 . . . . 2.6 111.141 -176.596 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -84.09 126.67 33.31 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.156 -0.475 . . . . 1.15 110.844 179.58 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.404 ' O ' ' HA ' ' A' ' 62' ' ' THR . . . -75.57 142.65 29.27 Favored Glycine 0 N--CA 1.448 -0.549 0 N-CA-C 110.965 -0.854 . . . . 0.84 110.965 173.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 15.4 t -128.79 133.01 67.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-O 121.216 0.532 . . . . 1.88 111.73 -170.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 27.2 m -117.06 114.34 23.6 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.446 -0.797 . . . . 1.13 110.132 174.555 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.502 ' HD2' ' HE1' ' A' ' 58' ' ' MET . 44.1 mmtm -90.28 135.22 33.81 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.566 -0.531 . . . . 1.45 109.566 178.251 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.43 ' HG2' HG21 ' A' ' 10' ' ' THR . 56.6 mtpt -129.29 102.27 6.36 Favored 'General case' 0 C--N 1.322 -0.622 0 C-N-CA 121.13 -0.228 . . . . 2.46 111.344 -177.06 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.439 ' HB3' HD21 ' A' ' 8' ' ' LEU . 59.0 m-85 -100.39 121.74 42.01 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.521 -0.548 . . . . 0.63 109.521 174.712 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.422 ' HG3' ' HB3' ' A' ' 57' ' ' ASP . 14.0 ptm180 -149.98 159.89 44.04 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 116.289 -0.414 . . . . 3.72 110.345 -179.192 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . 0.526 ' HA ' ' CD2' ' A' ' 56' ' ' TYR . 13.0 p30 -68.59 153.46 43.73 Favored 'General case' 0 C--N 1.316 -0.861 0 N-CA-C 108.682 -0.859 . . . . 1.9 108.682 171.596 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -48.99 130.79 18.75 Favored 'General case' 0 CA--C 1.518 -0.274 0 CA-C-O 121.625 0.726 . . . . 1.18 111.501 -173.066 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.63 -34.79 77.76 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 114.412 -1.267 . . . . 1.94 111.792 -170.316 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 17.0 m -76.62 17.54 0.39 Allowed 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 112.262 0.467 . . . . 2.82 112.262 179.269 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 68.68 23.08 75.56 Favored Glycine 0 CA--C 1.517 0.17 0 C-N-CA 120.997 -0.62 . . . . 1.96 112.798 177.711 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.402 ' HB2' ' HE3' ' A' ' 52' ' ' LYS . 38.5 ttmt -86.21 116.53 66.15 Favored Pre-proline 0 N--CA 1.447 -0.613 0 N-CA-C 110.467 -0.197 . . . . 3.54 110.467 -177.277 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_exo -60.96 147.06 96.75 Favored 'Trans proline' 0 C--O 1.237 0.429 0 C-N-CA 123.123 2.549 . . . . 2.1 113.467 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 20.5 t70 80.95 -54.97 0.31 Allowed 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 114.548 -1.205 . . . . 2.44 110.014 174.339 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 9.9 mpt_? -63.64 143.4 57.86 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.259 -0.882 . . . . 4.72 111.632 174.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.526 ' CD2' ' HA ' ' A' ' 47' ' ' ASN . 73.5 m-85 -119.66 176.35 5.42 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.667 -0.697 . . . . 1.39 110.958 179.067 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.422 ' HB3' ' HG3' ' A' ' 46' ' ' ARG . 15.5 t70 -133.31 134.28 43.65 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 108.361 -0.977 . . . . 1.1 108.361 178.401 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.502 ' HE1' ' HD2' ' A' ' 43' ' ' LYS . 12.1 tpt -137.19 129.77 30.05 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.609 0.242 . . . . 1.22 111.382 -172.694 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -124.85 142.68 51.27 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.36 0.6 . . . . 1.77 111.651 178.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.445 ' ND2' ' HE3' ' A' ' 43' ' ' LYS . 0.9 OUTLIER -122.03 72.06 1.02 Allowed 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.305 -0.998 . . . . 1.55 108.305 176.601 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 93.8 mt -74.89 141.66 44.14 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.016 -0.538 . . . . 2.22 111.11 -173.79 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.404 ' HA ' ' O ' ' A' ' 40' ' ' GLY . 43.0 p -139.69 -158.38 0.85 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.351 -0.386 . . . . 1.16 110.28 -178.215 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 65.0 p -96.5 -30.86 13.1 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.163 0.506 . . . . 1.14 111.254 -178.67 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.435 ' HG3' ' CG1' ' A' ' 35' ' ' VAL . 74.4 mmtt -110.01 -21.95 12.06 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.051 -0.522 . . . . 2.64 111.04 -175.187 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.511 ' HG3' ' O ' ' A' ' 83' ' ' LEU . 0.3 OUTLIER -135.77 -155.54 0.64 Allowed 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.094 -0.503 . . . . 2.34 110.795 -173.064 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 165.85 132.95 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.121 -0.945 . . . . 2.12 109.655 -168.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 37.8 p -126.5 143.63 51.13 Favored 'General case' 0 C--N 1.316 -0.888 0 N-CA-C 108.974 -0.751 . . . . 1.17 108.974 171.818 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 23.4 t-160 -136.88 87.71 2.31 Favored 'General case' 0 C--N 1.316 -0.881 0 N-CA-C 109.555 -0.535 . . . . 2.5 109.555 179.044 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.422 ' HD1' ' CG ' ' A' ' 80' ' ' ASP . 22.2 m-70 -75.26 80.16 2.37 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.259 -0.882 . . . . 0.48 109.928 -178.524 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.409 ' HA ' ' OD2' ' A' ' 57' ' ' ASP . 26.1 mtmt -70.87 122.37 19.81 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.829 0.677 . . . . 2.79 112.829 177.601 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 65.09 68.63 0.5 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.016 -0.993 . . . . 2.07 111.777 167.155 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 62.7 p-90 -114.1 140.74 48.24 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 120.845 0.355 . . . . 0.51 110.395 175.588 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -97.93 142.42 29.68 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 109.227 -0.657 . . . . 1.22 109.227 172.501 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.409 HD22 HD22 ' A' ' 94' ' ' LEU . 3.4 mt -59.11 123.44 16.62 Favored 'General case' 0 C--N 1.311 -1.096 0 CA-C-O 121.202 0.525 . . . . 2.28 110.069 169.714 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 91.01 17.23 52.16 Favored Glycine 0 N--CA 1.448 -0.508 0 CA-C-N 115.722 -0.672 . . . . 0.66 112.397 -173.003 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -113.32 154.75 26.35 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.163 0.506 . . . . 2.37 110.749 -178.644 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -127.6 106.16 8.97 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 108.045 -1.094 . . . . 1.4 108.045 -178.774 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 53.0 p90 -123.13 156.11 35.65 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 120.727 0.298 . . . . 0.69 111.522 -168.335 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 10.4 tt0 -79.39 141.88 36.49 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.471 -0.566 . . . . 2.38 109.471 175.613 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . 0.422 ' CG ' ' HD1' ' A' ' 69' ' ' HIS . 23.5 t70 -151.96 158.6 43.35 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.545 -0.298 . . . . 1.26 111.533 -169.881 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -93.28 92.49 7.73 Favored 'General case' 0 CA--C 1.519 -0.229 0 N-CA-C 108.146 -1.057 . . . . 2.26 108.146 173.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -75.66 160.46 30.05 Favored 'General case' 0 C--N 1.312 -1.063 0 N-CA-C 113.671 0.989 . . . . 1.61 113.671 -166.528 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.511 ' O ' ' HG3' ' A' ' 65' ' ' LYS . 14.5 tp -60.74 -29.31 69.31 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 113.567 -1.651 . . . . 1.98 111.075 -177.378 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -81.69 20.54 0.92 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.935 -0.575 . . . . 1.55 111.79 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 42.8 m 64.2 30.76 13.53 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 115.652 -0.704 . . . . 1.68 112.477 170.149 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 36.9 p -130.67 172.2 12.23 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 121.069 0.461 . . . . 1.5 110.163 176.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 12.5 mm100 -108.88 119.27 39.04 Favored 'General case' 0 C--N 1.317 -0.839 0 N-CA-C 108.226 -1.027 . . . . 1.88 108.226 176.378 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . 0.632 ' CB ' ' HA ' ' A' ' 106' ' ' LYS . 25.8 p80 -161.83 179.47 8.05 Favored 'General case' 0 C--N 1.32 -0.714 0 C-N-CA 120.345 -0.542 . . . . 1.51 111.713 178.684 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 61.8 pttt -88.96 154.92 19.84 Favored 'General case' 0 N--CA 1.442 -0.856 0 CA-C-N 115.663 -0.699 . . . . 1.95 110.499 -175.231 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 51.9 mt -142.37 129.25 19.11 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.007 0 CA-C-N 114.85 -1.068 . . . . 1.19 110.005 -177.821 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 1.3 m -105.15 133.17 50.37 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 115.975 -0.557 . . . . 1.12 110.832 -179.752 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -107.87 129.46 55.08 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 108.615 -0.883 . . . . 0.81 108.615 172.177 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -147.34 136.71 22.61 Favored 'General case' 0 C--N 1.315 -0.913 0 C-N-CA 121.11 -0.236 . . . . 1.69 110.395 -174.457 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.409 HD22 HD22 ' A' ' 74' ' ' LEU . 0.2 OUTLIER -90.46 109.62 20.75 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 108.693 -0.855 . . . . 1.81 108.693 175.66 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 33.8 tttm -79.86 -43.86 21.54 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.649 0.738 . . . . 3.48 109.522 -172.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -155.5 159.38 31.71 Favored Pre-proline 0 C--N 1.315 -0.913 0 N-CA-C 107.383 -1.34 . . . . 1.79 107.383 175.403 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 34.3 Cg_exo -60.81 4.06 0.24 Allowed 'Trans proline' 0 N--CA 1.476 0.478 0 C-N-CA 123.316 2.678 . . . . 1.07 114.668 -172.123 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -124.99 -4.71 7.48 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.519 0.199 . . . . 2.63 110.901 177.595 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 70.3 m -141.59 117.41 10.45 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-O 121.511 0.672 . . . . 1.26 112.792 -176.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.605 HD21 ' N ' ' A' ' 101' ' ' THR . 7.4 tt -90.99 146.13 24.12 Favored 'General case' 0 C--O 1.222 -0.351 0 N-CA-C 108.189 -1.041 . . . . 1.78 108.189 172.47 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' THR . . . . . 0.605 ' N ' HD21 ' A' ' 100' ' ' LEU . 15.6 p -122.23 131.76 54.09 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 118.311 0.505 . . . . 1.11 111.316 178.251 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 56.2 tt0 -113.51 109.81 19.26 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.155 -0.683 . . . . 1.31 109.155 176.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 11.9 m -101.36 114.91 29.33 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.228 -0.442 . . . . 1.12 110.851 -175.019 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' HIS . . . . . 0.479 ' HE1' ' CE2' ' A' ' 116' ' ' TYR . 19.3 m170 -93.3 115.31 27.89 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.844 -0.428 . . . . 2.22 109.844 179.231 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.504 ' O ' ' HB2' ' A' ' 88' ' ' HIS . 24.4 mt -122.13 117.9 53.76 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.321 0 CA-C-O 121.447 0.642 . . . . 1.36 111.338 179.161 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . 0.632 ' HA ' ' CB ' ' A' ' 88' ' ' HIS . 98.2 mttt -66.41 118.35 9.93 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 115.34 -0.845 . . . . 2.12 111.58 178.172 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . 0.478 ' H ' ' CB ' ' A' ' 88' ' ' HIS . 15.5 m -58.15 -22.88 20.35 Favored 'Isoleucine or valine' 0 C--O 1.233 0.205 0 CA-C-N 115.285 -0.87 . . . . 2.03 111.268 176.796 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -87.59 -50.16 6.7 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.847 -0.615 . . . . 2.5 110.531 177.473 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . 0.575 ' O ' ' HB2' ' A' ' 106' ' ' LYS . 13.5 t70 -130.13 89.29 45.64 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.367 0.604 . . . . 2.39 110.111 -178.141 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -74.88 6.02 3.58 Favored 'Trans proline' 0 N--CA 1.462 -0.373 0 C-N-CA 123.221 2.614 . . . . 0.91 113.212 -177.63 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 18.1 p -94.12 -22.5 18.43 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.961 0.41 . . . . 1.91 110.859 176.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -93.53 53.54 1.89 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.512 0.672 . . . . 1.59 109.527 175.649 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.421 HG13 HG12 ' A' ' 105' ' ' ILE . 9.9 m -67.42 178.87 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.13 -0.941 . . . . 2.17 112.205 177.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -163.14 137.29 6.1 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.541 -0.754 . . . . 2.78 109.48 178.733 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 92.4 m -129.13 121.22 27.3 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.38 0.609 . . . . 1.18 111.935 -177.189 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' TYR . . . . . 0.588 ' CE1' ' HE3' ' A' ' 129' ' ' MET . 11.1 m-30 -103.65 153.03 21.09 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 107.249 -1.389 . . . . 1.49 107.249 170.475 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . 0.48 ' HG2' HG22 ' A' ' 101' ' ' THR . 24.4 mt-10 -131.92 131.99 43.17 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 108.075 -1.083 . . . . 1.53 108.075 178.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . 0.457 ' HB2' ' HB3' ' A' ' 100' ' ' LEU . 80.9 m-85 -105.8 100.22 9.79 Favored 'General case' 0 C--N 1.314 -0.964 0 N-CA-C 109.935 -0.394 . . . . 1.0 109.935 -179.865 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . 0.418 ' NH1' ' HB2' ' A' ' 121' ' ' ASP . 0.0 OUTLIER -111.47 154.16 25.11 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 120.611 -0.435 . . . . 3.96 110.418 179.654 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 27.5 tpt180 -107.51 124.39 49.83 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.594 -0.276 . . . . 2.25 110.38 -175.673 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' ASP . . . . . 0.418 ' HB2' ' NH1' ' A' ' 119' ' ' ARG . 27.4 t70 -131.45 113.12 13.32 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 110.036 -0.357 . . . . 1.08 110.036 178.415 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 65.78 -113.35 5.69 Favored Glycine 0 N--CA 1.446 -0.658 0 N-CA-C 111.399 -0.681 . . . . 1.04 111.399 -177.299 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -116.06 11.62 15.38 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.88 0.371 . . . . 2.31 110.456 177.703 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 91.2 m-85 -111.72 141.96 44.66 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.27 0.557 . . . . 1.17 111.144 -179.36 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . 0.414 HD22 ' HB3' ' A' ' 118' ' ' TYR . 3.1 tm? -82.67 115.69 21.72 Favored 'General case' 0 N--CA 1.445 -0.719 0 N-CA-C 106.749 -1.574 . . . . 1.66 106.749 168.749 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 60.3 t -103.09 107.75 22.8 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.96 0 CA-C-O 121.454 0.645 . . . . 1.1 109.723 -173.59 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' MET . . . . . 0.451 ' HE2' ' HB3' ' A' ' 116' ' ' TYR . 9.2 tpt -70.04 121.14 16.86 Favored 'General case' 0 N--CA 1.44 -0.926 0 CA-C-N 114.601 -1.181 . . . . 1.4 109.418 179.654 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . 0.425 ' HB3' ' HB2' ' A' ' 117' ' ' GLU . 25.9 tptp -118.35 88.7 2.97 Favored 'General case' 0 C--N 1.313 -0.984 0 CA-C-O 121.761 0.791 . . . . 2.68 109.149 -175.204 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 129' ' ' MET . . . . . 0.588 ' HE3' ' CE1' ' A' ' 116' ' ' TYR . 42.5 mtp -103.91 135.66 45.01 Favored 'General case' 0 C--N 1.318 -0.801 0 N-CA-C 108.85 -0.796 . . . . 1.66 108.85 -178.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 130' ' ' SER . . . . . 0.524 ' HA ' ' O ' ' A' ' 134' ' ' VAL . 8.3 m -145.94 136.61 24.24 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.392 0.615 . . . . 1.5 111.531 -178.273 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 131' ' ' TRP . . . . . 0.506 ' CD1' ' HD3' ' A' ' 132' ' ' LYS . 61.2 t-105 -151.53 130.64 12.67 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 114.687 -1.142 . . . . 0.88 109.49 178.45 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . 0.506 ' HD3' ' CD1' ' A' ' 131' ' ' TRP . 6.1 mptp? 49.53 44.46 24.18 Favored 'General case' 0 C--N 1.332 -0.189 0 O-C-N 123.637 0.586 . . . . 2.42 111.753 -175.907 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 82.97 -18.12 18.23 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.932 -0.651 . . . . 0.53 113.512 177.34 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . 0.524 ' O ' ' HA ' ' A' ' 130' ' ' SER . 15.8 t -79.27 107.26 11.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.973 0.387 . . . . 1.13 110.466 -178.199 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -104.28 127.59 51.94 Favored 'General case' 0 N--CA 1.444 -0.734 0 CA-C-O 121.383 0.611 . . . . 1.64 111.487 178.088 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 136' ' ' THR . . . . . 0.443 ' CG2' ' HB2' ' A' ' 129' ' ' MET . 3.6 t -115.6 129.32 56.47 Favored 'General case' 0 C--N 1.314 -0.969 0 CA-C-N 115.261 -0.881 . . . . 1.1 109.909 177.771 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 137' ' ' SER . . . . . 0.433 ' HA ' ' O ' ' A' ' 127' ' ' MET . 22.6 m -107.99 113.05 25.95 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.981 -0.554 . . . . 1.06 109.785 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 138' ' ' ARG . . . . . 0.438 ' HB2' ' HB3' ' A' ' 127' ' ' MET . 25.0 mtp180 -108.47 123.5 48.98 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 109.69 -0.485 . . . . 2.41 109.69 -178.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 75.9 m-85 -90.2 107.39 19.1 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-O 121.393 0.616 . . . . 1.03 110.857 -173.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 65.2 m-85 -99.86 120.41 39.72 Favored 'General case' 0 N--CA 1.443 -0.799 0 CA-C-N 114.865 -1.061 . . . . 0.92 109.608 177.412 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 141' ' ' LYS . . . . . 0.562 ' HG3' ' O ' ' A' ' 142' ' ' LYS . 17.5 ptpt -95.37 162.36 13.7 Favored 'General case' 0 C--N 1.312 -1.058 0 N-CA-C 107.029 -1.471 . . . . 2.41 107.029 174.442 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 142' ' ' LYS . . . . . 0.562 ' O ' ' HG3' ' A' ' 141' ' ' LYS . 39.0 tttt -61.33 -178.95 0.14 Allowed 'General case' 0 C--N 1.312 -1.022 0 CA-C-N 118.816 0.734 . . . . 2.59 110.633 173.733 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . 0.711 ' NE2' ' HB3' ' A' ' 12' ' ' LYS . 65.4 mm-40 . . . . . 0 C--O 1.248 1.013 0 O-C-N 121.506 -0.746 . . . . 1.74 110.321 163.297 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' THR . . . . . 0.741 ' HA ' ' OH ' ' A' ' 56' ' ' TYR . 0.7 OUTLIER . . . . . 0 N--CA 1.447 -0.613 0 CA-C-O 121.043 0.449 . . . . 1.44 110.763 . . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.443 HD21 ' HA ' ' A' ' 3' ' ' LEU . 5.7 mt -57.12 126.99 75.3 Favored Pre-proline 0 C--N 1.323 -0.55 0 CA-C-N 115.018 -0.992 . . . . 1.33 111.489 179.471 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_exo -60.12 131.02 36.86 Favored 'Trans proline' 0 N--CA 1.455 -0.747 0 C-N-CA 122.475 2.117 . . . . 0.81 110.875 172.188 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -50.94 -26.22 5.65 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 115.647 -0.706 . . . . 2.19 111.771 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.411 ' O ' ' HD3' ' A' ' 120' ' ' ARG . 75.8 mmtt -57.76 -22.63 48.01 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.478 0.547 . . . . 3.1 112.478 176.842 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 23.8 m-85 -104.36 -1.56 26.71 Favored 'General case' 0 C--O 1.225 -0.215 0 O-C-N 121.639 -0.663 . . . . 0.74 110.74 178.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.474 HD22 ' HB3' ' A' ' 45' ' ' PHE . 95.6 mt -101.6 152.98 20.16 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.154 0.502 . . . . 1.12 111.703 -173.219 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 123.01 -117.75 3.36 Favored Glycine 0 N--CA 1.445 -0.737 0 CA-C-N 115.408 -0.815 . . . . 0.52 111.658 -179.34 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.548 ' O ' ' HD2' ' A' ' 142' ' ' LYS . 12.4 t -167.7 136.03 2.45 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.362 0.601 . . . . 1.62 110.111 178.54 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.408 ' HB3' ' HB3' ' A' ' 140' ' ' TYR . 67.0 m-85 -130.98 127.74 38.99 Favored 'General case' 0 C--N 1.311 -1.085 0 CA-C-N 115.547 -0.751 . . . . 0.57 111.711 -175.494 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.415 ' HB3' HE21 ' A' ' 143' ' ' GLN . 0.0 OUTLIER -95.9 135.93 36.99 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 120.139 -0.624 . . . . 2.65 109.419 169.66 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.7 tt -59.06 129.69 43.38 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.104 0.478 . . . . 1.79 111.157 -178.595 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -97.53 -52.59 3.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.864 -0.607 . . . . 2.08 110.143 -178.753 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 34.7 ptt-85 -154.9 175.82 13.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.798 0.332 . . . . 3.92 110.765 -176.777 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -149.4 158.11 43.89 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.19 -0.459 . . . . 1.19 110.549 179.491 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 37.3 mm-40 -136.14 123.6 22.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.31 -0.404 . . . . 2.66 111.019 -177.723 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 4.0 t30 69.17 29.31 4.7 Favored 'General case' 0 N--CA 1.475 0.806 0 CA-C-O 121.797 0.808 . . . . 0.97 111.116 174.28 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 31.9 t80 -72.89 -42.42 63.6 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.374 -0.83 . . . . 0.64 110.888 -175.16 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -52.56 -57.04 11.24 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 116.126 -0.488 . . . . 2.04 111.521 176.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -56.14 -38.81 71.33 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 116.434 -0.348 . . . . 1.79 111.56 -179.703 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.536 ' CE1' ' HE3' ' A' ' 129' ' ' MET . 60.2 t80 -58.82 -41.74 87.56 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 120.751 -0.38 . . . . 1.12 111.017 176.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 90.6 mt -65.8 -37.25 85.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.829 0.347 . . . . 1.13 110.883 -178.098 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 50.4 mtpt -64.87 -44.01 91.09 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.849 -0.614 . . . . 2.43 109.906 178.434 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.91 -40.36 84.3 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.285 -0.87 . . . . 1.2 110.893 176.054 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.501 ' NH1' ' HB2' ' A' ' 114' ' ' GLU . 16.6 mmm180 -65.11 -17.25 64.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.694 -0.685 . . . . 1.71 111.536 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 94.72 15.94 44.2 Favored Glycine 0 N--CA 1.443 -0.877 0 C-N-CA 120.597 -0.811 . . . . 0.62 112.258 -178.464 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 47.7 m-85 -84.11 125.58 32.27 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.889 0.376 . . . . 0.99 110.035 177.456 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.502 ' O ' ' HG3' ' A' ' 33' ' ' ARG . . . -77.6 -178.08 47.7 Favored Glycine 0 N--CA 1.443 -0.899 0 CA-C-N 115.659 -0.7 . . . . 1.54 111.856 179.651 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.568 ' O ' ' HG2' ' A' ' 34' ' ' GLN . 82.7 t90 -51.14 -49.94 59.86 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 111.918 0.34 . . . . 1.31 111.918 -175.894 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.42 HD11 ' HA ' ' A' ' 31' ' ' ILE . 1.6 mm -56.16 -55.5 18.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 N-CA-C 112.3 0.481 . . . . 2.68 112.3 -177.737 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.454 ' O ' HG13 ' A' ' 36' ' ' ILE . 54.9 mmm -57.52 -39.36 76.4 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 121.136 -0.226 . . . . 1.16 111.324 179.255 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.502 ' HG3' ' O ' ' A' ' 29' ' ' GLY . 61.1 mtm-85 -65.64 -26.38 67.79 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.815 -0.354 . . . . 2.48 110.628 179.23 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.568 ' HG2' ' O ' ' A' ' 30' ' ' TRP . 27.5 mm-40 -74.56 -26.43 59.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.078 0.466 . . . . 2.4 110.359 177.872 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.471 HG11 ' HE3' ' A' ' 64' ' ' LYS . 76.3 t -85.23 -65.17 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 120.942 0.401 . . . . 1.33 110.805 177.259 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.454 HG13 ' O ' ' A' ' 32' ' ' MET . 54.2 mt -47.62 -39.73 7.04 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.49 0 C-N-CA 124.003 0.921 . . . . 1.25 113.018 -178.007 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.434 ' HB2' ' O ' ' A' ' 33' ' ' ARG . 18.9 mtpp -72.64 -27.72 62.3 Favored 'General case' 0 N--CA 1.466 0.333 0 N-CA-C 112.388 0.514 . . . . 1.62 112.388 -179.003 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.555 HD21 ' O ' ' A' ' 34' ' ' GLN . 4.2 mm? -100.17 -1.57 36.25 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.839 0.352 . . . . 2.6 111.665 -173.022 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -84.13 115.6 22.48 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-O 120.876 0.37 . . . . 1.15 110.834 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.513 ' O ' ' HA ' ' A' ' 62' ' ' THR . . . -72.34 146.77 39.7 Favored Glycine 0 N--CA 1.447 -0.596 0 N-CA-C 110.802 -0.919 . . . . 0.84 110.802 174.859 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.554 ' HB ' HG21 ' A' ' 62' ' ' THR . 1.3 p -144.69 138.95 23.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-O 121.77 0.795 . . . . 1.88 112.365 -175.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 86.1 m -123.72 139.78 53.64 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 114.58 -1.191 . . . . 1.13 109.869 178.371 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.417 ' HE2' ' CE ' ' A' ' 127' ' ' MET . 40.6 mttp -117.65 135.0 54.29 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.916 0.389 . . . . 1.45 110.799 -179.631 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.435 ' HG2' ' OG1' ' A' ' 10' ' ' THR . 46.2 mtpt -132.28 120.13 21.73 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.179 -0.464 . . . . 2.46 110.823 -172.33 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.474 ' HB3' HD22 ' A' ' 8' ' ' LEU . 45.7 m-85 -113.14 133.98 54.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.307 -0.406 . . . . 0.63 110.635 -179.727 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.478 ' HG3' ' O ' ' A' ' 47' ' ' ASN . 6.9 ptp180 -156.08 166.01 34.73 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.691 0.281 . . . . 3.72 110.626 178.291 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . 0.478 ' O ' ' HG3' ' A' ' 46' ' ' ARG . 54.0 m-80 -65.65 153.1 42.58 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 108.462 -0.94 . . . . 1.9 108.462 170.161 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.469 ' N ' ' HA ' ' A' ' 56' ' ' TYR . . . -47.96 133.73 14.31 Favored 'General case' 0 CA--C 1.515 -0.376 0 CA-C-O 121.656 0.741 . . . . 1.18 111.918 -173.176 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.47 -39.47 83.79 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 114.039 -1.437 . . . . 1.94 111.859 -173.224 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 50.8 m -79.43 12.15 2.61 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 112.211 0.449 . . . . 2.82 112.211 178.434 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 68.34 29.96 73.3 Favored Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 121.06 -0.591 . . . . 1.96 113.878 176.35 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.543 ' HD2' ' OD1' ' A' ' 71' ' ' ASP . 91.6 mttt -84.83 120.0 73.33 Favored Pre-proline 0 C--N 1.325 -0.491 0 CA-C-N 116.975 0.387 . . . . 3.54 110.077 177.018 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.462 ' O ' ' HB2' ' A' ' 54' ' ' ASP . 75.2 Cg_exo -55.26 142.71 78.29 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.963 2.442 . . . . 2.1 112.587 177.862 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.462 ' HB2' ' O ' ' A' ' 53' ' ' PRO . 48.6 m-20 84.22 -53.75 0.12 Allowed 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 114.932 -1.031 . . . . 2.44 110.199 176.735 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.401 ' HG2' ' HB2' ' A' ' 73' ' ' ALA . 74.5 mtt180 -66.13 152.78 44.02 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 112.744 0.646 . . . . 4.72 112.744 178.267 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.741 ' OH ' ' HA ' ' A' ' 2' ' ' THR . 28.6 m-85 -129.1 178.65 6.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.245 -0.888 . . . . 1.39 110.505 -178.562 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -131.54 135.72 47.27 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.377 -0.829 . . . . 1.1 108.877 174.691 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 8.0 tpt -138.51 131.83 30.25 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.508 0.194 . . . . 1.22 110.577 -176.327 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -127.09 146.26 50.44 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.267 0.556 . . . . 1.77 112.121 -175.773 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.546 ' HB2' ' HG1' ' A' ' 67' ' ' THR . 37.7 m-80 -123.75 101.58 7.36 Favored 'General case' 0 CA--C 1.515 -0.392 0 N-CA-C 108.353 -0.98 . . . . 1.55 108.353 172.899 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.528 ' O ' ' HA ' ' A' ' 41' ' ' VAL . 75.3 mt -97.12 112.5 24.25 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.86 -0.609 . . . . 2.22 110.903 -176.558 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.554 HG21 ' HB ' ' A' ' 41' ' ' VAL . 12.9 p -120.94 -170.7 2.05 Favored 'General case' 0 N--CA 1.445 -0.72 0 N-CA-C 109.243 -0.651 . . . . 1.16 109.243 178.498 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 43.0 p -90.15 -25.84 20.48 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-O 120.956 0.408 . . . . 1.14 111.038 -177.738 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.471 ' HE3' HG11 ' A' ' 35' ' ' VAL . 74.5 mmtt -104.11 -25.13 13.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 2.64 111.689 -172.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.415 ' HG2' ' O ' ' A' ' 82' ' ' ALA . 26.8 tptp -157.3 134.04 10.03 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.975 0.417 . . . . 2.34 110.751 178.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -106.23 134.65 49.03 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 109.445 -0.576 . . . . 2.12 109.445 175.173 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.546 ' HG1' ' HB2' ' A' ' 60' ' ' ASN . 69.0 p -115.93 151.42 35.4 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 109.494 -0.558 . . . . 1.17 109.494 177.74 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 9.8 t-160 -145.05 96.72 2.9 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 109.625 -0.509 . . . . 2.5 109.625 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.42 ' HD1' ' CG ' ' A' ' 80' ' ' ASP . 6.5 m-70 -72.27 88.08 1.15 Allowed 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.603 -0.726 . . . . 0.48 109.092 178.137 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 84.5 mttt -77.65 117.83 19.44 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.263 -0.881 . . . . 2.79 112.409 -176.788 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.543 ' OD1' ' HD2' ' A' ' 52' ' ' LYS . 11.9 t70 61.75 60.18 1.64 Allowed 'General case' 0 C--O 1.235 0.336 0 O-C-N 123.809 0.693 . . . . 2.07 111.603 165.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 67.2 p-90 -108.2 145.62 33.97 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.399 -0.364 . . . . 0.51 110.513 -178.388 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.632 ' O ' ' HB2' ' A' ' 76' ' ' GLU . . . -106.04 143.76 33.71 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 110.159 -0.312 . . . . 1.22 110.159 176.603 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.412 HD12 HD22 ' A' ' 94' ' ' LEU . 4.7 tt -59.79 120.97 10.56 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.595 -0.52 . . . . 2.28 109.595 171.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 96.07 10.83 55.79 Favored Glycine 0 N--CA 1.45 -0.422 0 CA-C-N 115.84 -0.618 . . . . 0.66 112.284 -173.637 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.632 ' HB2' ' O ' ' A' ' 73' ' ' ALA . 7.6 mm-40 -110.06 160.01 16.82 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.266 0.555 . . . . 2.37 111.278 -177.87 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.439 ' OE2' ' HD2' ' A' ' 89' ' ' LYS . 30.9 tt0 -131.48 110.1 10.76 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 114.882 -1.054 . . . . 1.4 108.804 -175.677 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 46.4 p90 -130.23 161.13 31.88 Favored 'General case' 0 C--N 1.319 -0.717 0 CA-C-N 116.178 -0.464 . . . . 0.69 110.711 -170.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 -92.99 153.0 18.99 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.364 0.602 . . . . 2.38 110.738 174.719 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . 0.43 ' HB3' HD11 ' A' ' 90' ' ' ILE . 8.9 t70 -154.71 153.94 32.09 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.374 -0.83 . . . . 1.26 110.434 -174.074 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.469 ' O ' HG23 ' A' ' 67' ' ' THR . 7.0 pt-20 -88.18 87.41 7.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.925 0.869 . . . . 2.26 108.991 178.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.415 ' O ' ' HG2' ' A' ' 65' ' ' LYS . . . -78.64 171.67 14.8 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 114.423 -1.262 . . . . 1.61 113.514 -161.714 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.402 ' C ' ' H ' ' A' ' 85' ' ' SER . 91.1 mt -55.0 -30.68 59.99 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 115.81 -0.632 . . . . 1.98 111.289 -178.364 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -76.96 21.1 0.22 Allowed 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.536 -0.757 . . . . 1.55 111.931 -178.043 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.402 ' H ' ' C ' ' A' ' 83' ' ' LEU . 16.1 m 77.62 -46.18 0.46 Allowed 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 123.904 0.882 . . . . 1.68 111.794 171.008 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 3.2 p -78.67 164.39 24.65 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 120.737 0.303 . . . . 1.5 110.365 176.271 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -110.42 141.84 42.95 Favored 'General case' 0 N--CA 1.44 -0.96 0 N-CA-C 109.384 -0.598 . . . . 1.88 109.384 177.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . 0.614 ' CB ' ' HA ' ' A' ' 106' ' ' LYS . 16.8 p80 -157.22 -176.12 5.79 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 116.249 -0.432 . . . . 1.51 111.879 -174.646 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.439 ' HD2' ' OE2' ' A' ' 77' ' ' GLU . 39.0 ttpt -73.1 142.9 47.54 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.092 -0.958 . . . . 1.95 111.048 -177.155 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.43 HD11 ' HB3' ' A' ' 80' ' ' ASP . 63.0 mt -145.63 128.85 10.48 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 115.474 -0.784 . . . . 1.19 110.063 177.52 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 2.2 m -109.57 139.86 44.07 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 120.833 0.349 . . . . 1.12 110.788 178.09 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.411 ' CE1' ' HG3' ' A' ' 102' ' ' GLU . 5.0 m-85 -116.9 128.29 55.09 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.099 -0.5 . . . . 0.81 109.671 175.139 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -159.92 151.7 20.19 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.97 -0.382 . . . . 1.69 109.97 -176.496 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.412 HD22 HD12 ' A' ' 74' ' ' LEU . 1.3 mm? -97.03 121.23 38.68 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 109.85 -0.426 . . . . 1.81 109.85 179.502 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 46.1 tptt -81.77 -48.13 12.02 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.883 -0.784 . . . . 3.48 108.883 -176.583 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -140.03 165.82 28.04 Favored Pre-proline 0 C--N 1.323 -0.563 0 N-CA-C 107.513 -1.291 . . . . 1.79 107.513 176.083 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 26.0 Cg_exo -64.56 2.33 1.3 Allowed 'Trans proline' 0 C--N 1.349 0.558 0 C-N-CA 122.958 2.439 . . . . 1.07 113.55 -173.705 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 74.2 m-20 -139.93 23.07 2.44 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.315 -0.402 . . . . 2.63 110.468 178.43 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.505 ' HA ' ' O ' ' A' ' 118' ' ' TYR . 85.6 m -151.03 108.59 3.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.229 0.538 . . . . 1.26 111.748 -179.077 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.564 HD22 ' N ' ' A' ' 101' ' ' THR . 6.4 tt -90.51 137.28 32.48 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.38 -0.97 . . . . 1.78 108.38 175.331 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' THR . . . . . 0.564 ' N ' HD22 ' A' ' 100' ' ' LEU . 3.6 p -114.36 126.48 55.04 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 120.854 0.359 . . . . 1.11 110.967 178.902 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.411 ' HG3' ' CE1' ' A' ' 92' ' ' PHE . 49.4 tt0 -115.86 109.43 17.62 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.856 -0.611 . . . . 1.31 109.765 178.349 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' THR . . . . . 0.426 ' O ' ' HA ' ' A' ' 90' ' ' ILE . 7.6 m -98.35 110.14 22.78 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.372 -0.376 . . . . 1.12 110.761 -175.752 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 29.0 m-70 -93.14 100.22 12.65 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.284 -0.417 . . . . 2.22 110.258 -179.408 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.468 ' HA ' HG13 ' A' ' 113' ' ' VAL . 30.0 mt -108.49 118.19 55.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 121.458 0.647 . . . . 1.36 111.723 179.718 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . 0.614 ' HA ' ' CB ' ' A' ' 88' ' ' HIS . 46.5 mtpt -69.93 124.73 24.78 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.438 -0.801 . . . . 2.12 112.305 179.54 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . 0.407 ' H ' ' CB ' ' A' ' 88' ' ' HIS . 93.9 t -63.65 -30.91 51.12 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.725 0 CA-C-N 114.547 -1.206 . . . . 2.03 109.891 173.254 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -70.35 -45.58 65.84 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 114.709 -1.132 . . . . 2.5 110.399 179.549 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . 0.506 ' O ' ' HB2' ' A' ' 106' ' ' LYS . 4.3 p-10 -158.7 107.02 1.62 Allowed Pre-proline 0 N--CA 1.453 -0.293 0 CA-C-O 121.698 0.761 . . . . 2.39 110.647 177.408 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . 0.401 ' HD2' ' HA ' ' A' ' 109' ' ' ASP . 70.1 Cg_endo -73.16 11.15 0.98 Allowed 'Trans proline' 0 CA--C 1.529 0.246 0 C-N-CA 123.527 2.818 . . . . 0.91 112.822 -179.689 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 39.2 p -90.92 -16.86 27.39 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.992 -0.549 . . . . 1.91 111.244 178.079 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -114.46 39.45 2.79 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.952 0.882 . . . . 1.59 109.866 -176.15 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.468 HG13 ' HA ' ' A' ' 105' ' ' ILE . 19.3 m -85.22 178.53 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 115.361 -0.836 . . . . 2.17 111.484 -175.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . 0.501 ' HB2' ' NH1' ' A' ' 26' ' ' ARG . 8.7 tp10 -161.36 153.37 19.65 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.336 -0.393 . . . . 2.78 110.316 177.007 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 30.4 m -123.9 120.02 31.32 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.883 -0.599 . . . . 1.18 109.965 179.21 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 17.9 m-30 -95.23 146.94 23.98 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 107.788 -1.19 . . . . 1.49 107.788 176.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . 0.404 ' HB2' ' NH1' ' A' ' 119' ' ' ARG . 36.2 mt-10 -129.16 123.0 30.99 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.867 -0.79 . . . . 1.53 108.867 -178.407 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . 0.541 ' HB2' ' HB3' ' A' ' 100' ' ' LEU . 2.2 m-85 -98.44 122.12 41.23 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.378 -0.373 . . . . 1.0 110.755 -175.788 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . 0.404 ' NH1' ' HB2' ' A' ' 117' ' ' GLU . 0.0 OUTLIER -131.96 151.3 51.81 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 120.786 0.327 . . . . 3.96 110.375 173.033 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . 0.411 ' HD3' ' O ' ' A' ' 6' ' ' LYS . 9.0 tpt180 -101.31 105.86 16.98 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.34 -0.391 . . . . 2.25 110.449 -177.007 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -95.21 91.98 6.55 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.593 -0.521 . . . . 1.08 109.593 177.169 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 69.38 -100.15 0.71 Allowed Glycine 0 N--CA 1.446 -0.639 0 N-CA-C 111.124 -0.791 . . . . 1.04 111.124 -175.659 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -122.5 12.21 10.02 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.797 0.332 . . . . 2.31 111.003 176.151 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 92.7 m-85 -105.86 134.9 48.25 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.337 -0.392 . . . . 1.17 110.319 175.741 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -85.58 117.73 24.66 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 107.632 -1.247 . . . . 1.66 107.632 173.723 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 43.9 t -112.95 123.79 68.95 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.918 0 CA-C-O 121.39 0.614 . . . . 1.1 109.666 -174.56 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 127' ' ' MET . . . . . 0.501 ' HB3' ' HB3' ' A' ' 138' ' ' ARG . 20.7 ttm -105.19 140.42 38.38 Favored 'General case' 0 C--N 1.312 -1.024 0 CA-C-N 115.071 -0.968 . . . . 1.4 110.136 -179.786 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 38.8 tttm -112.47 126.21 55.07 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-N 115.851 -0.613 . . . . 2.68 109.386 176.768 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 129' ' ' MET . . . . . 0.536 ' HE3' ' CE1' ' A' ' 22' ' ' TYR . 49.4 mtp -124.62 119.81 30.09 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 107.985 -1.117 . . . . 1.66 107.985 177.083 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 130' ' ' SER . . . . . 0.477 ' HB3' ' HB3' ' A' ' 135' ' ' SER . 2.7 p -141.02 125.57 17.77 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 120.995 0.426 . . . . 1.5 112.138 -172.58 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 131' ' ' TRP . . . . . . . . . . . . . 70.1 t-105 -139.26 128.06 23.41 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.575 -0.739 . . . . 0.88 110.236 -178.157 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 53.9 mtmt 47.2 48.24 16.07 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 115.746 -0.661 . . . . 2.42 112.3 -176.724 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 86.77 -36.15 3.3 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.996 -0.621 . . . . 0.53 113.435 177.558 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 20.0 t -74.16 111.17 9.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 121.146 0.498 . . . . 1.13 110.204 -176.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 135' ' ' SER . . . . . 0.477 ' HB3' ' HB3' ' A' ' 130' ' ' SER . 0.1 OUTLIER -111.09 143.44 41.81 Favored 'General case' 0 N--CA 1.443 -0.778 0 CA-C-N 115.771 -0.65 . . . . 1.64 111.745 -177.36 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 8.2 t -129.89 140.09 51.03 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.771 -0.649 . . . . 1.1 110.191 175.637 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 6.9 m -102.92 118.79 37.6 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.153 0.502 . . . . 1.06 109.87 177.714 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 138' ' ' ARG . . . . . 0.501 ' HB3' ' HB3' ' A' ' 127' ' ' MET . 4.5 tpt180 -96.84 110.65 23.1 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.463 -0.79 . . . . 2.41 108.921 -179.505 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 99.2 m-85 -96.37 111.91 23.83 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.987 0.422 . . . . 1.03 111.811 -172.458 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 140' ' ' TYR . . . . . 0.408 ' HB3' ' HB3' ' A' ' 11' ' ' PHE . 55.6 m-85 -107.23 136.68 46.64 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.696 -0.683 . . . . 0.92 110.619 177.597 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 8.2 ptpt -112.21 163.19 14.64 Favored 'General case' 0 C--O 1.21 -0.983 0 N-CA-C 108.053 -1.092 . . . . 2.41 108.053 173.092 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 142' ' ' LYS . . . . . 0.548 ' HD2' ' O ' ' A' ' 10' ' ' THR . 29.0 tptp -45.24 159.13 0.06 Allowed 'General case' 0 CA--C 1.547 0.846 0 CA-C-O 121.196 0.522 . . . . 2.59 111.708 173.109 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . 0.415 HE21 ' HB3' ' A' ' 12' ' ' LYS . 4.1 mt-30 . . . . . 0 C--O 1.247 0.923 0 O-C-N 120.815 -1.178 . . . . 1.74 109.946 159.136 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' THR . . . . . 0.438 ' O ' ' HD3' ' A' ' 4' ' ' PRO . 25.5 m . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.8 -0.445 . . . . 1.44 109.8 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.729 ' H ' ' HH ' ' A' ' 56' ' ' TYR . 2.4 tm? -72.73 111.02 9.62 Favored Pre-proline 0 C--N 1.325 -0.459 0 N-CA-C 109.145 -0.687 . . . . 1.33 109.145 177.132 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . 0.438 ' HD3' ' O ' ' A' ' 2' ' ' THR . 53.3 Cg_exo -54.31 123.56 13.89 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.641 2.227 . . . . 0.81 112.04 -179.881 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . 0.435 ' HA ' HD11 ' A' ' 8' ' ' LEU . 23.2 m-20 -53.22 -22.33 6.61 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.278 -0.874 . . . . 2.19 112.735 -175.257 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 7.7 ptpp? -58.39 -27.71 64.52 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 111.72 0.267 . . . . 3.1 111.72 178.352 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 50.9 m-85 -85.03 -8.7 58.59 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.688 0.28 . . . . 0.74 110.744 -178.755 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.486 HD22 ' HB3' ' A' ' 45' ' ' PHE . 83.0 mt -99.27 145.17 27.58 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-O 121.145 0.498 . . . . 1.12 111.494 -169.491 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 138.01 -178.52 19.13 Favored Glycine 0 N--CA 1.446 -0.664 0 CA-C-N 115.522 -0.763 . . . . 0.52 111.954 -177.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 6.1 m -109.96 125.34 52.76 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.646 -0.501 . . . . 1.62 109.646 177.372 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.406 ' HA ' ' HA ' ' A' ' 142' ' ' LYS . 49.2 m-85 -124.36 137.56 54.46 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 111.657 0.243 . . . . 0.57 111.657 -175.016 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.703 ' HB3' ' NE2' ' A' ' 143' ' ' GLN . 15.1 ptmm? -103.78 132.03 50.42 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-O 120.994 0.425 . . . . 2.65 110.436 170.553 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.1 tt -49.73 123.65 8.28 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 115.845 -0.616 . . . . 1.79 111.059 -179.602 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -90.02 -55.13 3.74 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 116.43 -0.35 . . . . 2.08 110.622 179.541 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 13.5 ptt-85 -159.89 177.54 10.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.351 -0.386 . . . . 3.92 110.091 -178.246 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -135.88 172.43 13.03 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.744 0.307 . . . . 1.19 110.716 -178.515 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -155.4 110.3 2.98 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.06 -0.518 . . . . 2.66 110.468 -179.34 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 65.5 t30 72.03 20.08 4.45 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-O 121.765 0.793 . . . . 0.97 110.928 175.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 63.2 t80 -73.67 -39.1 64.68 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.446 -0.797 . . . . 0.64 110.991 -175.07 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.535 ' OD1' ' HE3' ' A' ' 24' ' ' LYS . 26.2 t70 -58.26 -51.45 69.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.555 -0.293 . . . . 2.04 110.998 178.092 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -53.48 -42.9 67.73 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 116.178 -0.464 . . . . 1.79 110.987 177.102 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.439 ' CE1' ' HE2' ' A' ' 129' ' ' MET . 90.8 t80 -59.29 -40.07 85.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.829 -0.623 . . . . 1.12 111.005 177.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 77.1 mt -63.43 -40.37 96.99 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.827 0.346 . . . . 1.13 110.455 -178.627 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.535 ' HE3' ' OD1' ' A' ' 20' ' ' ASP . 94.0 mttt -60.79 -47.73 85.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.025 -0.534 . . . . 2.43 110.008 178.662 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.17 -36.14 72.6 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.067 -0.97 . . . . 1.2 110.856 178.697 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 14.1 mmm180 -73.95 -8.01 54.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.024 -0.535 . . . . 1.71 111.824 -179.688 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 111.11 -6.68 28.93 Favored Glycine 0 N--CA 1.446 -0.67 0 C-N-CA 120.784 -0.722 . . . . 0.62 112.308 176.263 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.436 ' HB3' ' HB2' ' A' ' 32' ' ' MET . 36.7 m-85 -79.15 99.46 6.99 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.038 0.447 . . . . 0.99 109.86 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -68.12 -55.28 13.7 Favored Glycine 0 N--CA 1.45 -0.371 0 CA-C-N 115.685 -0.689 . . . . 1.54 113.397 -173.253 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.458 ' O ' ' HG2' ' A' ' 34' ' ' GLN . 83.2 t90 -154.93 -54.53 0.09 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.996 0.398 . . . . 1.31 111.169 -177.642 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.433 HD12 ' HA ' ' A' ' 31' ' ' ILE . 1.6 mm -53.19 -55.2 13.58 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.239 0 CA-C-N 116.53 -0.305 . . . . 2.68 111.813 -177.831 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.485 ' O ' HG13 ' A' ' 36' ' ' ILE . 64.2 mmm -60.15 -36.6 77.91 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.416 -0.356 . . . . 1.16 111.16 179.805 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.449 ' HD2' ' OD2' ' A' ' 20' ' ' ASP . 47.1 mtm105 -63.26 -30.84 71.9 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.929 -0.309 . . . . 2.48 110.662 177.871 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.503 ' O ' HD21 ' A' ' 38' ' ' LEU . 29.6 mm-40 -68.68 -30.79 69.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.123 0.487 . . . . 2.4 110.375 178.254 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.495 ' CG1' ' HG3' ' A' ' 64' ' ' LYS . 95.2 t -86.92 -65.28 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.208 -0.451 . . . . 1.33 111.548 179.564 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.485 HG13 ' O ' ' A' ' 32' ' ' MET . 61.0 mt -44.47 -44.02 2.34 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.501 0 N-CA-C 113.881 1.067 . . . . 1.25 113.881 -177.487 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 51.6 mtmt -74.63 -28.42 60.87 Favored 'General case' 0 N--CA 1.466 0.33 0 N-CA-C 111.97 0.359 . . . . 1.62 111.97 -176.596 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.503 HD21 ' O ' ' A' ' 34' ' ' GLN . 4.4 mm? -89.82 -11.95 40.57 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.035 0.445 . . . . 2.6 110.541 -174.81 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -78.1 113.62 16.2 Favored 'General case' 0 N--CA 1.445 -0.687 0 CA-C-N 115.633 -0.712 . . . . 1.15 110.65 178.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.642 ' O ' ' HA ' ' A' ' 62' ' ' THR . . . -68.1 141.02 36.94 Favored Glycine 0 N--CA 1.448 -0.515 0 N-CA-C 110.849 -0.9 . . . . 0.84 110.849 175.884 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.498 HG21 HH12 ' A' ' 138' ' ' ARG . 41.3 t -124.09 123.63 67.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-O 121.131 0.491 . . . . 1.88 111.202 -174.152 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 29.5 m -110.33 115.44 29.68 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.762 -0.653 . . . . 1.13 110.008 176.121 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.904 ' HZ1' ' HH ' ' A' ' 118' ' ' TYR . 74.2 mmtt -87.99 133.41 33.96 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.33 -0.395 . . . . 1.45 110.137 179.374 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.53 ' O ' ' HA ' ' A' ' 58' ' ' MET . 65.8 mttm -123.2 116.01 22.7 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.511 -0.313 . . . . 2.46 110.281 177.793 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.486 ' HB3' HD22 ' A' ' 8' ' ' LEU . 70.2 m-85 -120.6 138.99 53.61 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 109.951 -0.389 . . . . 0.63 109.951 175.766 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.444 ' O ' ' HB3' ' A' ' 56' ' ' TYR . 19.0 ptt180 -171.25 172.85 5.12 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.835 0.35 . . . . 3.72 110.902 -175.685 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 19.0 m120 -65.31 161.96 18.48 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 108.398 -0.964 . . . . 1.9 108.398 168.071 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.537 ' HA ' ' HB2' ' A' ' 57' ' ' ASP . . . -53.4 129.62 32.65 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-O 121.71 0.767 . . . . 1.18 111.476 -175.122 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -68.43 -40.43 81.2 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 114.473 -1.24 . . . . 1.94 112.131 -169.594 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 17.1 t -81.71 16.78 1.66 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.005 0.431 . . . . 2.82 110.955 179.301 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 73.05 22.43 79.07 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.945 -0.645 . . . . 1.96 113.036 177.287 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 13.9 tppt? -71.26 122.37 86.88 Favored Pre-proline 0 N--CA 1.443 -0.781 0 N-CA-C 109.756 -0.461 . . . . 3.54 109.756 176.237 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.577 ' O ' ' HB3' ' A' ' 54' ' ' ASP . 74.0 Cg_endo -72.67 142.95 36.82 Favored 'Trans proline' 0 C--O 1.237 0.458 0 C-N-CA 122.031 1.821 . . . . 2.1 112.08 -179.244 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.577 ' HB3' ' O ' ' A' ' 53' ' ' PRO . 9.9 t70 86.55 -56.34 0.06 Allowed 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 124.049 0.94 . . . . 2.44 109.781 176.866 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.42 ' HD3' ' HB3' ' A' ' 71' ' ' ASP . 58.7 mtt180 -67.52 155.83 38.13 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-O 121.847 0.832 . . . . 4.72 112.885 177.088 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.729 ' HH ' ' H ' ' A' ' 3' ' ' LEU . 30.9 m-85 -120.1 176.08 5.61 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 114.736 -1.12 . . . . 1.39 109.057 179.777 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.537 ' HB2' ' HA ' ' A' ' 48' ' ' ALA . 13.7 t70 -133.02 145.06 50.5 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 110.085 -0.339 . . . . 1.1 110.085 -177.159 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.569 ' HE2' ' OD1' ' A' ' 60' ' ' ASN . 1.6 tmt? -147.24 139.84 24.82 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.554 -0.294 . . . . 1.22 110.401 -175.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.438 ' HG2' ' HA ' ' A' ' 68' ' ' HIS . 32.7 mt-10 -135.76 157.4 46.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.332 0.586 . . . . 1.77 112.456 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.569 ' OD1' ' HE2' ' A' ' 58' ' ' MET . 36.7 m-80 -131.09 108.92 10.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 114.84 -1.073 . . . . 1.55 109.64 175.073 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 75.2 mt -103.02 127.78 50.13 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.573 -0.285 . . . . 2.22 110.323 177.365 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.642 ' HA ' ' O ' ' A' ' 40' ' ' GLY . 58.8 p -133.31 -169.27 2.24 Favored 'General case' 0 N--CA 1.445 -0.689 0 N-CA-C 109.624 -0.51 . . . . 1.16 109.624 -179.101 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 71.7 p -90.79 -19.98 22.87 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-O 121.054 0.454 . . . . 1.14 111.303 -179.086 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.495 ' HG3' ' CG1' ' A' ' 35' ' ' VAL . 32.8 mmmt -115.32 -20.57 10.27 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.251 -0.431 . . . . 2.64 111.402 -175.56 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.468 ' HB3' ' H ' ' A' ' 66' ' ' ASP . 29.7 mmmt -131.3 -156.21 0.74 Allowed 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.149 0.499 . . . . 2.34 111.266 -174.882 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.468 ' H ' ' HB3' ' A' ' 65' ' ' LYS . 5.0 p-10 162.04 120.47 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 114.249 -1.341 . . . . 2.12 107.767 -173.046 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.468 ' HG1' ' HB2' ' A' ' 60' ' ' ASN . 69.9 p -137.23 145.43 43.6 Favored 'General case' 0 C--N 1.313 -1.02 0 CA-C-N 115.901 -0.59 . . . . 1.17 109.815 -174.857 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.438 ' HA ' ' HG2' ' A' ' 59' ' ' GLU . 4.7 t-160 -132.55 93.46 3.24 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.927 0.394 . . . . 2.5 110.062 -177.722 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 8.0 m-70 -73.78 84.03 1.65 Allowed 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.928 -0.767 . . . . 0.48 108.928 175.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.41 ' HA ' ' OD2' ' A' ' 57' ' ' ASP . 15.2 ptpt -84.45 121.71 27.95 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 112.472 0.545 . . . . 2.79 112.472 -174.337 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.42 ' HB3' ' HD3' ' A' ' 55' ' ' ARG . 53.2 m-20 66.02 79.65 0.24 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 114.848 -1.069 . . . . 2.07 111.862 170.096 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' TRP . . . . . 0.468 ' HB3' ' CE1' ' A' ' 78' ' ' PHE . 43.7 p-90 -120.96 140.71 51.5 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.352 -0.386 . . . . 0.51 110.92 174.634 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.435 ' O ' ' HB3' ' A' ' 76' ' ' GLU . . . -106.98 153.61 22.31 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.113 -0.699 . . . . 1.22 109.113 172.151 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.406 HD11 ' HB2' ' A' ' 3' ' ' LEU . 4.6 mp -56.36 136.36 53.58 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.348 0.595 . . . . 2.28 111.594 173.545 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 72.56 15.07 77.52 Favored Glycine 0 N--CA 1.447 -0.592 0 CA-C-N 114.823 -1.081 . . . . 0.66 112.493 -177.292 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.435 ' HB3' ' O ' ' A' ' 73' ' ' ALA . 35.2 tt0 -107.77 127.32 53.6 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.471 0.653 . . . . 2.37 111.428 -177.72 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -97.49 122.43 40.55 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 114.802 -1.09 . . . . 1.4 109.49 174.162 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.468 ' CE1' ' HB3' ' A' ' 72' ' ' TRP . 37.2 p90 -132.48 158.81 41.12 Favored 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 109.475 -0.565 . . . . 0.69 109.475 -179.433 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 32.9 tt0 -90.53 140.63 29.55 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 109.4 -0.592 . . . . 2.38 109.4 177.458 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . 0.483 ' HB3' HD12 ' A' ' 90' ' ' ILE . 5.5 t70 -168.58 164.78 12.41 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.708 -0.478 . . . . 1.26 109.708 -175.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.476 ' HA ' ' HA ' ' A' ' 87' ' ' GLN . 35.2 tt0 -97.14 118.17 32.97 Favored 'General case' 0 CA--C 1.514 -0.437 0 N-CA-C 109.52 -0.548 . . . . 2.26 109.52 178.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.537 ' HB3' ' OD1' ' A' ' 84' ' ' ASP . . . -94.82 -179.32 4.81 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-N 115.193 -0.912 . . . . 1.61 111.883 -178.143 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -55.28 -26.85 42.7 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 111.704 0.261 . . . . 1.98 111.704 -177.106 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.537 ' OD1' ' HB3' ' A' ' 82' ' ' ALA . 17.0 p-10 -78.37 17.23 0.67 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.098 0.475 . . . . 1.55 111.987 -175.278 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.7 t 62.83 27.61 16.1 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.435 -0.802 . . . . 1.68 112.024 166.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 9.7 p -140.97 162.13 36.21 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 109.113 -0.699 . . . . 1.5 109.113 173.693 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . 0.476 ' HA ' ' HA ' ' A' ' 81' ' ' GLU . 2.5 pt20 -110.58 128.52 55.69 Favored 'General case' 0 CA--C 1.504 -0.823 0 CA-C-O 121.558 0.694 . . . . 1.88 109.592 178.555 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . 0.711 ' HB2' ' O ' ' A' ' 105' ' ' ILE . 2.5 p80 -152.85 179.48 8.62 Favored 'General case' 0 C--N 1.308 -1.219 0 CA-C-N 114.915 -1.039 . . . . 1.51 109.927 -172.674 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.459 ' HZ3' ' HB3' ' A' ' 89' ' ' LYS . 0.2 OUTLIER -71.53 136.75 47.65 Favored 'General case' 0 C--O 1.236 0.382 0 C-N-CA 120.501 -0.48 . . . . 1.95 109.997 -177.173 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.483 HD12 ' HB3' ' A' ' 80' ' ' ASP . 50.4 mt -134.11 126.76 50.36 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.928 0 CA-C-N 115.415 -0.811 . . . . 1.19 110.24 -178.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 18.6 m -112.92 128.08 56.38 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-N 116.141 -0.481 . . . . 1.12 110.697 178.66 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -103.79 122.83 45.92 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 108.504 -0.925 . . . . 0.81 108.504 172.397 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 20.6 t0 -156.62 156.02 32.81 Favored 'General case' 0 C--N 1.316 -0.887 0 N-CA-C 108.977 -0.749 . . . . 1.69 108.977 -172.125 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 2.4 mp -100.85 134.94 43.07 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-O 121.256 0.551 . . . . 1.81 110.822 -178.635 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 53.4 tttp -94.4 -54.28 3.59 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.314 -0.857 . . . . 3.48 108.77 -178.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . 0.481 ' C ' ' H ' ' A' ' 98' ' ' ASN . 7.4 m-20 -121.85 167.98 12.47 Favored Pre-proline 0 C--N 1.323 -0.578 0 N-CA-C 108.345 -0.983 . . . . 1.79 108.345 174.431 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 15.3 Cg_exo -70.97 14.65 0.33 Allowed 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.925 2.417 . . . . 1.07 112.175 179.059 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . 0.481 ' H ' ' C ' ' A' ' 96' ' ' ASP . 30.8 p30 -147.61 14.47 1.08 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.561 -0.745 . . . . 2.63 110.18 176.886 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 57.1 m -141.08 111.53 6.87 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-O 121.104 0.478 . . . . 1.26 112.123 -176.133 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.523 ' HB3' ' HB2' ' A' ' 118' ' ' TYR . 0.6 OUTLIER -82.84 155.98 23.87 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.862 -1.162 . . . . 1.78 107.862 171.664 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' THR . . . . . 0.507 HG21 ' HG2' ' A' ' 117' ' ' GLU . 15.0 p -134.59 135.27 42.11 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 118.672 0.669 . . . . 1.11 111.036 173.435 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.402 ' O ' ' HA ' ' A' ' 115' ' ' THR . 64.0 tt0 -115.4 106.12 13.62 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.566 -0.743 . . . . 1.31 109.463 177.041 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' THR . . . . . 0.405 ' O ' ' HA ' ' A' ' 90' ' ' ILE . 52.2 m -104.89 119.64 39.5 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 109.973 -0.38 . . . . 1.12 109.973 -178.536 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' HIS . . . . . 0.632 ' HB2' ' CE1' ' A' ' 88' ' ' HIS . 29.2 p80 -120.78 117.94 28.73 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.454 -0.498 . . . . 2.22 111.348 179.634 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.711 ' O ' ' HB2' ' A' ' 88' ' ' HIS . 53.6 mt -119.5 132.12 70.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.449 -0.796 . . . . 1.36 110.62 -177.227 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . 0.47 ' HG3' ' HB3' ' A' ' 112' ' ' ASP . 39.4 mmtm -55.93 119.87 6.52 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 115.702 -0.681 . . . . 2.12 112.748 -179.664 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . 0.536 ' CG2' ' HA ' ' A' ' 88' ' ' HIS . 82.7 t -63.86 -39.43 85.41 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.554 0 CA-C-N 115.464 -0.789 . . . . 2.03 110.704 172.244 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -62.62 -36.94 84.4 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.039 -0.982 . . . . 2.5 110.751 -177.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . 0.403 ' O ' ' HB2' ' A' ' 106' ' ' LYS . 29.6 t70 -169.99 101.23 0.45 Allowed Pre-proline 0 C--N 1.323 -0.58 0 CA-C-N 115.533 -0.758 . . . . 2.39 108.996 -176.719 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -71.47 24.8 0.23 Allowed 'Trans proline' 0 C--O 1.233 0.241 0 C-N-CA 123.928 3.085 . . . . 0.91 114.443 -169.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 81.2 p -78.41 -28.85 46.94 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 109.603 -0.517 . . . . 1.91 109.603 174.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . 0.47 ' HB3' ' HG3' ' A' ' 106' ' ' LYS . 35.8 t70 -91.99 109.51 20.85 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 116.053 -0.521 . . . . 1.59 110.047 175.432 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -131.35 125.97 57.76 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.113 0 CA-C-N 115.468 -0.787 . . . . 2.17 109.093 -178.508 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . 0.57 ' HB3' ' CE1' ' A' ' 104' ' ' HIS . 37.1 tt0 -138.15 140.26 39.78 Favored 'General case' 0 C--N 1.316 -0.861 0 C-N-CA 120.71 -0.396 . . . . 2.78 110.68 -178.275 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' THR . . . . . 0.402 ' HA ' ' O ' ' A' ' 102' ' ' GLU . 47.8 m -133.17 133.11 42.39 Favored 'General case' 0 N--CA 1.445 -0.681 0 CA-C-N 115.763 -0.653 . . . . 1.18 110.956 -174.873 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' TYR . . . . . 0.473 ' HB3' ' HE3' ' A' ' 127' ' ' MET . 2.7 m-85 -106.36 158.41 16.9 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 107.241 -1.392 . . . . 1.49 107.241 171.674 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . 0.507 ' HG2' HG21 ' A' ' 101' ' ' THR . 31.0 mt-10 -129.97 111.29 12.39 Favored 'General case' 0 N--CA 1.443 -0.822 0 N-CA-C 107.695 -1.224 . . . . 1.53 107.695 -179.301 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . 0.904 ' HH ' ' HZ1' ' A' ' 43' ' ' LYS . 95.9 m-85 -87.86 86.32 7.14 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.035 0.445 . . . . 1.0 110.056 -177.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 19.3 ttt85 -93.93 153.25 18.32 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.723 -0.671 . . . . 3.96 109.91 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . 0.535 ' NH2' ' HA ' ' A' ' 123' ' ' ASP . 12.4 mmm180 -109.91 121.61 45.63 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-O 120.924 0.392 . . . . 2.25 111.581 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -122.15 100.77 7.14 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.819 -0.628 . . . . 1.08 109.766 176.065 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 69.54 -111.6 3.97 Favored Glycine 0 N--CA 1.443 -0.872 0 C-N-CA 120.686 -0.769 . . . . 1.04 111.269 -176.413 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . 0.535 ' HA ' ' NH2' ' A' ' 120' ' ' ARG . 38.0 t70 -112.74 4.2 16.94 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.301 0.572 . . . . 2.31 110.267 176.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 74.8 m-85 -100.16 140.74 33.97 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.107 -0.497 . . . . 1.17 110.735 -178.4 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . 0.468 HD22 ' HB3' ' A' ' 118' ' ' TYR . 0.3 OUTLIER -87.22 123.36 32.15 Favored 'General case' 0 N--CA 1.445 -0.68 0 N-CA-C 107.671 -1.233 . . . . 1.66 107.671 173.004 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 77.4 t -111.8 113.15 43.37 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.052 0 CA-C-O 121.075 0.464 . . . . 1.1 109.912 -176.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 127' ' ' MET . . . . . 0.473 ' HE3' ' HB3' ' A' ' 116' ' ' TYR . 27.6 ttm -90.55 141.07 29.14 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-N 115.63 -0.714 . . . . 1.4 109.95 177.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 33.0 ttmt -134.25 136.28 43.5 Favored 'General case' 0 C--N 1.315 -0.896 0 N-CA-C 109.575 -0.528 . . . . 2.68 109.575 174.507 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 129' ' ' MET . . . . . 0.439 ' HE2' ' CE1' ' A' ' 22' ' ' TYR . 2.5 ptm -146.74 135.77 22.48 Favored 'General case' 0 C--N 1.313 -1.004 0 N-CA-C 108.766 -0.827 . . . . 1.66 108.766 -179.292 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 130' ' ' SER . . . . . 0.474 ' HA ' ' O ' ' A' ' 134' ' ' VAL . 6.2 p -131.4 136.93 48.43 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.977 0.418 . . . . 1.5 111.944 -172.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 131' ' ' TRP . . . . . 0.566 ' CD1' ' HG2' ' A' ' 132' ' ' LYS . 47.3 t-105 -151.07 131.66 13.91 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.77 -0.65 . . . . 0.88 110.116 176.079 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . 0.566 ' HG2' ' CD1' ' A' ' 131' ' ' TRP . 74.9 mmtt 53.29 37.37 25.11 Favored 'General case' 0 C--N 1.328 -0.355 0 O-C-N 123.746 0.654 . . . . 2.42 111.321 -178.248 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 85.72 -12.52 59.15 Favored Glycine 0 CA--C 1.519 0.34 0 C-N-CA 121.057 -0.592 . . . . 0.53 113.247 179.379 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . 0.474 ' O ' ' HA ' ' A' ' 130' ' ' SER . 4.8 t -83.93 105.51 13.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 117.03 0.415 . . . . 1.13 110.245 -178.55 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -101.22 128.4 47.36 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 116.108 -0.497 . . . . 1.64 110.745 176.183 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 3.1 t -123.44 136.37 54.57 Favored 'General case' 0 C--N 1.311 -1.081 0 CA-C-N 115.721 -0.672 . . . . 1.1 110.52 179.318 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 137' ' ' SER . . . . . 0.436 ' HA ' ' O ' ' A' ' 127' ' ' MET . 16.6 m -108.1 111.03 22.86 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-N 116.064 -0.517 . . . . 1.06 109.715 175.321 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 138' ' ' ARG . . . . . 0.556 HH11 ' HH ' ' A' ' 140' ' ' TYR . 7.7 ttt180 -96.87 120.61 37.53 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 109.077 -0.712 . . . . 2.41 109.077 179.385 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 91.3 m-85 -93.51 111.02 22.6 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.166 0.508 . . . . 1.03 111.063 -172.055 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 140' ' ' TYR . . . . . 0.556 ' HH ' HH11 ' A' ' 138' ' ' ARG . 93.6 m-85 -103.78 121.77 43.72 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.519 -0.764 . . . . 0.92 110.384 178.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 141' ' ' LYS . . . . . 0.585 ' HD2' ' O ' ' A' ' 142' ' ' LYS . 5.0 tmmm? -101.76 152.99 20.21 Favored 'General case' 0 N--CA 1.436 -1.166 0 N-CA-C 107.423 -1.325 . . . . 2.41 107.423 179.424 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 142' ' ' LYS . . . . . 0.585 ' O ' ' HD2' ' A' ' 141' ' ' LYS . 80.9 tttt -50.89 166.23 0.09 Allowed 'General case' 0 CA--C 1.547 0.83 0 CA-C-O 121.719 0.771 . . . . 2.59 112.253 179.671 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . 0.703 ' NE2' ' HB3' ' A' ' 12' ' ' LYS . 53.5 mm-40 . . . . . 0 C--O 1.247 0.966 0 O-C-N 121.099 -1.001 . . . . 1.74 110.59 163.007 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.6 m . . . . . 0 C--O 1.235 0.327 0 N-CA-C 109.654 -0.498 . . . . 1.44 109.654 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.41 ' HB2' ' CZ ' ' A' ' 56' ' ' TYR . 0.4 OUTLIER -57.17 118.81 26.7 Favored Pre-proline 0 C--O 1.233 0.216 0 O-C-N 123.36 0.413 . . . . 1.33 111.808 -170.179 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_exo -59.82 131.06 37.73 Favored 'Trans proline' 0 N--CA 1.461 -0.432 0 C-N-CA 122.743 2.295 . . . . 0.81 111.012 172.221 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . 0.42 ' HA ' HD13 ' A' ' 8' ' ' LEU . 7.9 p-10 -56.57 -22.04 30.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.063 -0.517 . . . . 2.19 111.72 -179.297 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 34.9 ttmt -59.02 -22.46 60.71 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 116.091 -0.504 . . . . 3.1 111.993 176.218 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -99.32 2.86 45.8 Favored 'General case' 0 C--N 1.331 -0.198 0 O-C-N 122.086 -0.384 . . . . 0.74 111.495 -179.701 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.42 HD13 ' HA ' ' A' ' 5' ' ' ASP . 97.3 mt -97.56 151.72 19.76 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.451 0.643 . . . . 1.12 111.648 -173.332 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 121.04 173.66 14.76 Favored Glycine 0 N--CA 1.442 -0.94 0 CA-C-N 114.972 -1.013 . . . . 0.52 111.681 -178.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 12.2 m -99.16 125.72 44.78 Favored 'General case' 0 N--CA 1.444 -0.745 0 N-CA-C 109.528 -0.545 . . . . 1.62 109.528 176.504 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 61.5 m-85 -118.36 129.63 55.54 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.311 -0.404 . . . . 0.57 111.016 -177.045 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.64 ' HB3' ' NE2' ' A' ' 143' ' ' GLN . 21.6 ptmt -97.72 134.72 40.52 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 120.088 -0.645 . . . . 2.65 110.685 172.018 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.422 ' HA ' ' HA ' ' A' ' 140' ' ' TYR . 6.5 tt -55.64 120.61 7.52 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 116.247 -0.433 . . . . 1.79 110.474 178.217 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -90.49 -53.08 4.59 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.958 -0.564 . . . . 2.08 110.369 -178.325 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 23.3 ptt-85 -143.3 159.84 41.6 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.951 0.405 . . . . 3.92 110.107 179.108 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -132.87 137.29 46.64 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 115.693 -0.685 . . . . 1.19 110.103 -172.531 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -140.31 124.56 17.71 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 111.899 0.333 . . . . 2.66 111.899 -173.215 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.4 t30 67.41 20.04 9.97 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 123.501 0.721 . . . . 0.97 111.796 172.452 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 19.5 t80 -75.6 -38.54 58.99 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.643 -0.708 . . . . 0.64 110.835 -176.065 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.427 ' O ' ' HG3' ' A' ' 24' ' ' LYS . 10.5 p-10 -64.28 -42.13 96.57 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 110.259 -0.275 . . . . 2.04 110.259 178.079 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 35.9 mm-40 -52.28 -45.14 65.35 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-O 120.914 0.388 . . . . 1.79 110.601 173.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.492 ' CE1' ' HE3' ' A' ' 129' ' ' MET . 60.4 t80 -59.46 -42.23 91.52 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.552 -0.749 . . . . 1.12 111.06 176.198 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 82.8 mt -64.29 -40.1 95.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.943 0.402 . . . . 1.13 110.889 -175.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.435 ' HG2' ' NH1' ' A' ' 33' ' ' ARG . 89.3 mttt -62.46 -50.9 69.6 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.795 -0.639 . . . . 2.43 109.819 178.242 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.45 -37.03 79.65 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 114.938 -1.028 . . . . 1.2 111.343 178.114 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.531 ' HA ' ' CD1' ' A' ' 131' ' ' TRP . 7.8 tpt180 -73.23 -8.87 57.7 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.04 -0.527 . . . . 1.71 111.452 -177.343 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 97.04 25.84 10.9 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.305 -0.95 . . . . 0.62 113.466 174.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 82.4 m-85 -96.75 112.59 24.28 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.161 -0.681 . . . . 0.99 109.161 173.363 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -71.25 -59.07 5.17 Favored Glycine 0 N--CA 1.449 -0.452 0 CA-C-N 115.141 -0.936 . . . . 1.54 113.764 -170.776 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 67.0 t90 -155.07 -56.41 0.1 Allowed 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 117.322 0.561 . . . . 1.31 112.092 -178.727 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.59 HD13 ' H ' ' A' ' 31' ' ' ILE . 3.8 mp -55.4 -50.2 67.36 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.642 0 CA-C-O 121.559 0.695 . . . . 2.68 109.871 -173.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.506 ' O ' HG13 ' A' ' 36' ' ' ILE . 69.5 mmm -64.23 -31.47 72.68 Favored 'General case' 0 N--CA 1.433 -1.289 0 CA-C-N 114.959 -1.019 . . . . 1.16 111.287 -177.374 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.435 ' NH1' ' HG2' ' A' ' 24' ' ' LYS . 14.2 mtm180 -69.72 -22.19 63.41 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 120.473 -0.491 . . . . 2.48 110.19 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.531 ' O ' HD22 ' A' ' 38' ' ' LEU . 25.7 mm-40 -81.08 -30.4 34.73 Favored 'General case' 0 N--CA 1.455 -0.186 0 CA-C-N 116.215 -0.448 . . . . 2.4 110.926 178.008 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.493 HG22 ' HA ' ' A' ' 32' ' ' MET . 4.3 m -88.22 -55.01 6.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 N-CA-C 111.7 0.259 . . . . 1.33 111.7 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.506 HG13 ' O ' ' A' ' 32' ' ' MET . 66.1 mt -48.0 -46.93 12.83 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.398 0 N-CA-C 113.044 0.757 . . . . 1.25 113.044 -179.448 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 48.4 mtmt -74.53 -22.95 58.76 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 112.288 0.477 . . . . 1.62 112.288 -174.796 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.531 HD22 ' O ' ' A' ' 34' ' ' GLN . 4.5 mm? -90.63 -6.71 54.25 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.069 0.461 . . . . 2.6 110.919 -176.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.705 ' HA ' ' OG1' ' A' ' 63' ' ' THR . . . -83.2 109.96 17.65 Favored 'General case' 0 N--CA 1.442 -0.859 0 CA-C-N 115.842 -0.617 . . . . 1.15 110.659 176.406 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.673 ' O ' ' HA ' ' A' ' 62' ' ' THR . . . -65.78 139.58 39.09 Favored Glycine 0 N--CA 1.447 -0.603 0 N-CA-C 110.633 -0.987 . . . . 0.84 110.633 175.021 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 22.0 t -117.33 123.17 71.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-O 121.166 0.508 . . . . 1.88 111.738 -172.514 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 58.0 m -116.21 117.13 29.17 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.63 -0.714 . . . . 1.13 109.666 174.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.578 ' HE3' ' ND2' ' A' ' 60' ' ' ASN . 40.1 mmtm -99.3 130.66 45.6 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.336 -0.393 . . . . 1.45 110.016 -179.004 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.515 ' O ' ' HG2' ' A' ' 58' ' ' MET . 36.6 ttmt -130.34 127.93 40.44 Favored 'General case' 0 C--N 1.32 -0.679 0 C-N-CA 121.015 -0.274 . . . . 2.46 111.133 -176.677 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 77.2 m-85 -122.85 132.69 54.31 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.361 -0.607 . . . . 0.63 109.361 176.314 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 12.8 ptm180 -162.9 171.83 16.02 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.108 0.48 . . . . 3.72 111.558 -178.694 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 -67.87 146.36 53.73 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.116 -0.947 . . . . 1.9 108.913 173.011 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -52.71 141.52 20.82 Favored 'General case' 0 CA--C 1.512 -0.489 0 CA-C-O 121.618 0.723 . . . . 1.18 111.069 -179.238 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.88 -31.95 69.05 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 114.13 -1.395 . . . . 1.94 112.781 -168.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.637 ' OG ' ' HE2' ' A' ' 52' ' ' LYS . 2.5 p -78.87 15.23 1.12 Allowed 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.353 0.501 . . . . 2.82 112.353 178.727 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 65.09 43.46 95.62 Favored Glycine 0 C--N 1.331 0.252 0 C-N-CA 121.127 -0.559 . . . . 1.96 113.112 177.297 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.637 ' HE2' ' OG ' ' A' ' 50' ' ' SER . 51.7 mtmt -111.7 131.11 22.53 Favored Pre-proline 0 C--N 1.322 -0.606 0 CA-C-O 120.515 0.198 . . . . 3.54 110.725 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -76.72 161.17 33.96 Favored 'Trans proline' 0 N--CA 1.462 -0.355 0 C-N-CA 122.759 2.306 . . . . 2.1 111.781 177.255 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 65.71 5.9 3.59 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-O 121.563 0.697 . . . . 2.44 110.52 175.425 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 22.2 mmt180 -137.23 123.22 20.23 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 114.84 -1.073 . . . . 4.72 108.334 175.395 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.41 ' CZ ' ' HB2' ' A' ' 3' ' ' LEU . 97.3 m-85 -116.43 165.32 13.36 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-O 121.298 0.57 . . . . 1.39 111.966 -172.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -123.04 130.92 53.42 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.022 -0.99 . . . . 1.1 108.45 177.354 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.559 ' SD ' ' HD2' ' A' ' 69' ' ' HIS . 1.5 tmt? -140.19 138.11 34.89 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 109.92 -0.4 . . . . 1.22 109.92 -174.573 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -133.34 145.84 50.76 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.182 0.515 . . . . 1.77 111.987 -176.247 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.578 ' ND2' ' HE3' ' A' ' 43' ' ' LYS . 0.6 OUTLIER -118.32 73.75 0.92 Allowed 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 108.527 -0.916 . . . . 1.55 108.527 176.702 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -72.8 129.61 38.57 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.484 -0.325 . . . . 2.22 110.347 -176.134 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.673 ' HA ' ' O ' ' A' ' 40' ' ' GLY . 55.6 p -137.14 -177.16 4.64 Favored 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 109.795 -0.446 . . . . 1.16 109.795 179.268 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.705 ' OG1' ' HA ' ' A' ' 39' ' ' ALA . 27.7 p -95.29 -16.8 22.17 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.967 0.413 . . . . 1.14 110.849 179.289 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 25.4 tptp -106.26 -20.1 13.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.045 -0.525 . . . . 2.64 110.507 -176.514 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.609 ' HG3' ' H ' ' A' ' 66' ' ' ASP . 32.4 tptt -143.59 -145.39 0.17 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.832 0.349 . . . . 2.34 110.357 -178.012 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.609 ' H ' ' HG3' ' A' ' 65' ' ' LYS . 17.5 t70 160.3 119.29 0.0 OUTLIER 'General case' 0 C--N 1.316 -0.858 0 C-N-CA 124.469 1.108 . . . . 2.12 109.459 -168.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.495 HG23 ' O ' ' A' ' 81' ' ' GLU . 45.2 p -122.46 160.5 25.39 Favored 'General case' 0 C--N 1.312 -1.06 0 CA-C-N 116.008 -0.542 . . . . 1.17 109.971 175.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 3.8 t-160 -143.76 88.15 1.97 Allowed 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.212 0.53 . . . . 2.5 110.266 178.072 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.559 ' HD2' ' SD ' ' A' ' 58' ' ' MET . 13.3 m-70 -76.85 85.1 3.43 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.145 -0.687 . . . . 0.48 109.145 178.212 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.27 131.7 37.28 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 112.436 0.532 . . . . 2.79 112.436 -176.202 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 63.87 48.97 2.98 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.154 -0.93 . . . . 2.07 112.157 168.371 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' TRP . . . . . 0.424 ' HE1' ' CB ' ' A' ' 58' ' ' MET . 69.3 p-90 -104.45 159.25 15.88 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.003 0.43 . . . . 0.51 110.48 179.151 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.614 ' O ' ' HB3' ' A' ' 76' ' ' GLU . . . -134.24 156.55 48.19 Favored 'General case' 0 C--N 1.317 -0.833 0 N-CA-C 109.329 -0.619 . . . . 1.22 109.329 171.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.577 HD11 ' H ' ' A' ' 74' ' ' LEU . 0.0 OUTLIER -66.9 142.94 57.12 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-O 121.735 0.779 . . . . 2.28 110.237 173.058 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 78.35 3.66 86.11 Favored Glycine 0 C--N 1.315 -0.628 0 CA-C-N 114.712 -1.131 . . . . 0.66 111.85 -170.519 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.614 ' HB3' ' O ' ' A' ' 73' ' ' ALA . 8.9 tp10 -113.56 156.49 23.52 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-O 120.87 0.367 . . . . 2.37 110.475 -178.283 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.449 ' HA ' ' HA ' ' A' ' 91' ' ' THR . 1.1 pt-20 -135.51 139.58 44.1 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 108.86 -0.792 . . . . 1.4 108.86 -179.191 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 31.6 p90 -143.56 157.77 44.17 Favored 'General case' 0 C--N 1.316 -0.879 0 O-C-N 122.321 -0.237 . . . . 0.69 110.472 179.291 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 32.6 tt0 -88.32 138.35 31.52 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.666 -0.494 . . . . 2.38 109.666 177.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . 0.479 ' O ' ' HA ' ' A' ' 87' ' ' GLN . 50.0 t0 -159.63 164.99 33.65 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.357 -0.383 . . . . 1.26 110.023 -174.564 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.495 ' O ' HG23 ' A' ' 67' ' ' THR . 35.4 tt0 -100.51 103.58 14.92 Favored 'General case' 0 CA--C 1.511 -0.536 0 N-CA-C 108.572 -0.899 . . . . 2.26 108.572 179.37 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -82.76 179.13 7.87 Favored 'General case' 0 C--N 1.311 -1.099 0 CA-C-N 114.569 -1.196 . . . . 1.61 112.566 -171.391 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.478 HD22 ' H ' ' A' ' 83' ' ' LEU . 2.9 mm? -54.69 -29.47 53.02 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 121.425 0.631 . . . . 1.98 110.097 178.303 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -68.99 2.81 2.4 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 114.607 -1.179 . . . . 1.55 112.302 -177.016 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 24.2 m 68.18 19.33 9.16 Favored 'General case' 0 C--O 1.232 0.182 0 C-N-CA 122.948 0.499 . . . . 1.68 112.177 173.145 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 15.4 p -129.2 165.44 21.34 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.381 -0.372 . . . . 1.5 110.088 174.418 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . 0.479 ' HA ' ' O ' ' A' ' 80' ' ' ASP . 0.0 OUTLIER -110.89 121.9 46.51 Favored 'General case' 0 CA--C 1.509 -0.604 0 N-CA-C 108.851 -0.796 . . . . 1.88 108.851 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . 0.554 ' CB ' ' HA ' ' A' ' 106' ' ' LYS . 17.6 p80 -152.2 -178.3 6.71 Favored 'General case' 0 C--N 1.31 -1.139 0 CA-C-N 115.576 -0.738 . . . . 1.51 110.045 -174.434 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.425 ' H ' HG11 ' A' ' 107' ' ' VAL . 39.2 ttpt -73.42 141.38 46.94 Favored 'General case' 0 C--N 1.32 -0.7 0 O-C-N 123.535 0.522 . . . . 1.95 109.762 179.652 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.4 ' HA ' ' O ' ' A' ' 103' ' ' THR . 49.0 mt -138.96 118.36 13.89 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.033 0 CA-C-N 115.834 -0.621 . . . . 1.19 109.939 176.535 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.449 ' HA ' ' HA ' ' A' ' 77' ' ' GLU . 11.0 m -108.04 137.96 45.13 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.557 -0.747 . . . . 1.12 110.959 -176.232 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 32.4 m-85 -113.15 143.01 45.1 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 108.921 -0.77 . . . . 0.81 108.921 176.037 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -165.58 153.03 10.59 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 120.63 0.253 . . . . 1.69 110.34 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -95.73 114.32 26.04 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.349 0.595 . . . . 1.81 109.481 176.796 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 52.0 tttm -86.26 -47.48 9.38 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.328 -0.851 . . . . 3.48 109.712 -174.119 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -134.37 167.53 22.38 Favored Pre-proline 0 C--N 1.318 -0.774 0 N-CA-C 108.107 -1.071 . . . . 1.79 108.107 176.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_exo -65.39 -0.97 4.03 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.73 2.287 . . . . 1.07 112.35 -177.665 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 66.6 t30 -143.21 33.14 1.34 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.844 -0.616 . . . . 2.63 109.796 177.795 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 68.4 m -154.57 111.8 3.38 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-O 121.098 0.475 . . . . 1.26 112.012 179.666 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 1.3 tt -95.11 133.52 38.84 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.439 -0.948 . . . . 1.78 108.439 174.199 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 10.6 p -109.4 128.73 55.36 Favored 'General case' 0 C--N 1.323 -0.583 0 O-C-N 121.271 -0.893 . . . . 1.11 111.464 179.79 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 48.7 tt0 -112.32 103.24 11.36 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.457 -0.792 . . . . 1.31 109.331 176.283 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' THR . . . . . 0.4 ' O ' ' HA ' ' A' ' 90' ' ' ILE . 24.8 m -97.58 112.08 24.09 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.109 0.481 . . . . 1.12 111.059 -173.722 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' HIS . . . . . 0.428 ' HB3' ' CE1' ' A' ' 88' ' ' HIS . 16.1 m170 -92.19 98.03 11.27 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.054 -0.521 . . . . 2.22 110.139 178.102 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.546 ' O ' ' HB2' ' A' ' 88' ' ' HIS . 10.5 mt -100.59 109.89 26.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-O 121.322 0.582 . . . . 1.36 111.327 177.321 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . 0.554 ' HA ' ' CB ' ' A' ' 88' ' ' HIS . 96.9 mttt -63.48 114.36 3.85 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 114.998 -1.001 . . . . 2.12 110.839 177.406 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . 0.425 HG11 ' H ' ' A' ' 89' ' ' LYS . 17.3 m -61.51 -22.13 27.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.102 -0.954 . . . . 2.03 111.35 178.484 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . 0.533 ' OD2' ' HB3' ' A' ' 106' ' ' LYS . 10.6 p-10 -81.12 -44.09 18.44 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.935 -0.575 . . . . 2.5 110.427 178.426 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -141.7 93.62 7.6 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.256 0.551 . . . . 2.39 110.577 175.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -73.22 6.53 2.56 Favored 'Trans proline' 0 N--CA 1.464 -0.254 0 C-N-CA 123.467 2.778 . . . . 0.91 112.438 -179.278 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 30.6 p -94.61 -13.99 25.4 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.399 0.619 . . . . 1.91 110.197 173.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -110.37 43.67 1.36 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.418 -0.81 . . . . 1.59 109.33 -179.247 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.468 HG12 ' HA ' ' A' ' 105' ' ' ILE . 22.9 m -79.61 179.72 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.564 -0.744 . . . . 2.17 111.874 -178.58 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . 0.443 ' HB2' ' NH1' ' A' ' 26' ' ' ARG . 8.0 tp10 -160.09 154.47 23.7 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.811 -0.631 . . . . 2.78 109.682 175.712 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 23.3 m -136.17 133.08 36.78 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.082 0.468 . . . . 1.18 111.086 -178.49 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 13.6 m-30 -98.92 154.37 18.1 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 107.725 -1.213 . . . . 1.49 107.725 173.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . 0.491 ' HB2' ' HB3' ' A' ' 128' ' ' LYS . 33.7 mt-10 -131.88 113.54 13.58 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.245 -1.02 . . . . 1.53 108.245 175.276 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 83.7 m-85 -89.84 103.32 15.98 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-O 121.226 0.536 . . . . 1.0 110.384 -178.635 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 12.4 ttp180 -111.74 142.77 43.66 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.277 -0.874 . . . . 3.96 109.27 178.744 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 8.6 tpt180 -96.2 135.46 37.98 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 109.618 -0.512 . . . . 2.25 109.618 -179.642 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -131.35 86.19 2.33 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.395 0.616 . . . . 1.08 109.876 175.798 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 70.02 -112.18 4.24 Favored Glycine 0 N--CA 1.443 -0.873 0 CA-C-N 115.327 -0.852 . . . . 1.04 112.284 179.35 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -96.29 3.45 53.01 Favored 'General case' 0 C--N 1.323 -0.586 0 O-C-N 122.791 -0.241 . . . . 2.31 110.976 -177.404 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 94.9 m-85 -119.82 144.68 47.21 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.158 0.504 . . . . 1.17 111.568 -178.493 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -96.94 125.91 41.7 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 107.152 -1.425 . . . . 1.66 107.152 172.332 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 59.4 t -116.69 127.18 74.37 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.831 0 CA-C-O 121.259 0.552 . . . . 1.1 110.658 -170.567 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 127' ' ' MET . . . . . 0.467 ' HB3' ' HB2' ' A' ' 138' ' ' ARG . 20.0 ttm -97.97 143.29 28.69 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 115.464 -0.789 . . . . 1.4 110.351 177.391 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . 0.491 ' HB3' ' HB2' ' A' ' 117' ' ' GLU . 5.4 tppp? -119.15 126.61 52.0 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 109.33 -0.618 . . . . 2.68 109.33 174.498 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 129' ' ' MET . . . . . 0.492 ' HE3' ' CE1' ' A' ' 22' ' ' TYR . 59.9 mtp -128.44 135.59 49.69 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 107.816 -1.179 . . . . 1.66 107.816 174.018 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 3.4 p -146.43 122.58 10.82 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 121.231 0.539 . . . . 1.5 111.954 -177.017 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 131' ' ' TRP . . . . . 0.631 ' CD1' ' HG2' ' A' ' 132' ' ' LYS . 64.2 t-105 -139.82 132.72 29.28 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.092 -0.958 . . . . 0.88 109.45 179.33 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . 0.631 ' HG2' ' CD1' ' A' ' 131' ' ' TRP . 75.5 mmtt 57.38 34.37 24.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.697 -0.683 . . . . 2.42 110.882 -177.424 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 75.99 5.61 80.6 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.873 -0.68 . . . . 0.53 113.539 179.679 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 51.4 t -101.97 107.3 21.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 N-CA-C 110.043 -0.355 . . . . 1.13 110.043 177.527 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 8.2 m -95.61 153.19 17.84 Favored 'General case' 0 N--CA 1.436 -1.158 0 CA-C-O 121.28 0.562 . . . . 1.64 111.194 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 136' ' ' THR . . . . . 0.487 ' CG2' ' HB2' ' A' ' 129' ' ' MET . 2.9 t -137.12 136.62 38.46 Favored 'General case' 0 C--N 1.313 -1.015 0 CA-C-N 115.286 -0.87 . . . . 1.1 109.833 174.537 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 38.3 m -107.86 114.8 29.01 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.179 0.514 . . . . 1.06 109.877 177.628 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 138' ' ' ARG . . . . . 0.506 HH11 ' HG3' ' A' ' 138' ' ' ARG . 7.9 mmm-85 -98.46 113.4 25.38 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 108.846 -0.798 . . . . 2.41 108.846 -179.274 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 94.9 m-85 -94.01 112.58 24.43 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.111 0.482 . . . . 1.03 111.078 -174.801 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 140' ' ' TYR . . . . . 0.422 ' HA ' ' HA ' ' A' ' 13' ' ' LEU . 74.1 m-85 -105.5 130.76 53.5 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.505 -0.77 . . . . 0.92 109.789 178.044 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 141' ' ' LYS . . . . . 0.45 ' HG3' ' O ' ' A' ' 142' ' ' LYS . 10.5 ptmt -98.18 164.52 12.29 Favored 'General case' 0 C--N 1.313 -0.994 0 N-CA-C 107.181 -1.414 . . . . 2.41 107.181 171.81 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 142' ' ' LYS . . . . . 0.45 ' O ' ' HG3' ' A' ' 141' ' ' LYS . 21.5 tptm -54.11 171.9 0.1 Allowed 'General case' 0 C--N 1.314 -0.956 0 CA-C-O 121.452 0.644 . . . . 2.59 111.207 172.884 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . 0.64 ' NE2' ' HB3' ' A' ' 12' ' ' LYS . 60.7 mm-40 . . . . . 0 C--O 1.248 0.98 0 O-C-N 121.252 -0.905 . . . . 1.74 109.807 158.58 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.9 m . . . . . 0 N--CA 1.451 -0.388 0 CA-C-O 120.803 0.335 . . . . 1.44 110.263 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.411 ' CD2' ' HD2' ' A' ' 4' ' ' PRO . 0.4 OUTLIER -58.73 120.46 45.96 Favored Pre-proline 0 C--N 1.324 -0.508 0 CA-C-N 115.589 -0.732 . . . . 1.33 110.772 -176.746 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . 0.411 ' HD2' ' CD2' ' A' ' 3' ' ' LEU . 76.8 Cg_exo -51.8 119.92 6.34 Favored 'Trans proline' 0 N--CA 1.461 -0.385 0 C-N-CA 122.774 2.316 . . . . 0.81 111.667 173.51 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -51.64 -27.33 11.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.528 -0.76 . . . . 2.19 111.967 -179.356 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 44.6 mmtm -56.61 -30.78 63.62 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.045 0.387 . . . . 3.1 112.045 176.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -84.49 -8.98 58.76 Favored 'General case' 0 C--O 1.225 -0.212 0 O-C-N 122.08 -0.388 . . . . 0.74 110.792 -177.561 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 91.4 mt -92.89 133.9 35.63 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.112 0.482 . . . . 1.12 111.125 -170.398 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 149.0 175.08 21.14 Favored Glycine 0 N--CA 1.446 -0.675 0 CA-C-N 115.358 -0.837 . . . . 0.52 111.986 -179.342 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 4.6 m -111.47 115.45 29.24 Favored 'General case' 0 N--CA 1.446 -0.657 0 N-CA-C 109.187 -0.671 . . . . 1.62 109.187 177.352 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 61.1 m-85 -115.3 131.2 57.0 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 112.9 0.704 . . . . 0.57 112.9 -169.242 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.463 ' HG2' ' CD ' ' A' ' 143' ' ' GLN . 18.5 mmtp -82.42 128.08 33.91 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 115.878 -0.601 . . . . 2.65 110.893 167.304 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.5 tt -55.41 121.79 9.76 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.309 -0.405 . . . . 1.79 110.035 171.466 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -93.29 -54.64 3.61 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-O 120.645 0.26 . . . . 2.08 110.764 179.588 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 5.8 ptp180 -159.05 178.84 9.62 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 120.888 0.375 . . . . 3.92 111.495 -175.127 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -145.62 155.01 42.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.708 -0.678 . . . . 1.19 110.073 177.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -95.47 -51.83 4.4 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.584 0.587 . . . . 2.66 112.584 -175.206 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -146.83 52.39 1.1 Allowed 'General case' 0 C--O 1.238 0.463 0 CA-C-O 121.96 0.886 . . . . 0.97 110.517 -176.511 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.479 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 11.0 t80 -77.5 -36.14 52.9 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.244 -0.889 . . . . 0.64 110.974 -172.738 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -57.08 -57.41 12.7 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.531 -0.304 . . . . 2.04 111.486 178.502 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -59.11 -36.67 75.57 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.772 -0.194 . . . . 1.79 111.271 178.479 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.554 ' O ' ' HB2' ' A' ' 26' ' ' ARG . 78.3 t80 -56.24 -41.07 75.14 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.894 0.378 . . . . 1.12 110.262 175.308 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.479 ' HG ' ' O ' ' A' ' 19' ' ' PHE . 96.0 mt -68.0 -38.78 83.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.049 -0.523 . . . . 1.13 110.724 -179.063 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 39.4 mttp -63.47 -52.49 61.13 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-O 121.071 0.462 . . . . 2.43 110.302 178.204 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.06 -37.71 80.69 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.708 -0.678 . . . . 1.2 111.13 178.715 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.554 ' HB2' ' O ' ' A' ' 22' ' ' TYR . 0.3 OUTLIER -65.84 -13.39 59.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.845 -0.616 . . . . 1.71 110.942 -178.552 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 93.7 20.8 30.5 Favored Glycine 0 N--CA 1.447 -0.584 0 C-N-CA 120.628 -0.796 . . . . 0.62 112.717 179.459 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 60.5 m-85 -93.21 125.26 37.71 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.995 0.426 . . . . 0.99 110.283 177.099 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -78.41 -178.27 49.54 Favored Glycine 0 N--CA 1.443 -0.853 0 C-N-CA 120.685 -0.769 . . . . 1.54 111.688 -177.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.483 ' O ' ' HG2' ' A' ' 34' ' ' GLN . 88.2 t90 -50.64 -49.33 57.18 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 122.536 0.334 . . . . 1.31 111.717 -176.88 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 1.9 mm -56.4 -56.79 11.66 Favored 'Isoleucine or valine' 0 C--O 1.232 0.142 0 N-CA-C 111.881 0.326 . . . . 2.68 111.881 -178.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 66.1 mmm -60.84 -37.43 82.04 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.672 0.272 . . . . 1.16 110.924 179.58 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.417 HH11 ' HD3' ' A' ' 33' ' ' ARG . 39.9 ttp-105 -69.4 -20.53 63.81 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.117 -0.492 . . . . 2.48 110.425 -178.483 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.483 ' HG2' ' O ' ' A' ' 30' ' ' TRP . 27.4 mm-40 -83.43 -34.7 25.41 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.194 -0.457 . . . . 2.4 110.455 175.402 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.401 HG11 ' HE3' ' A' ' 64' ' ' LYS . 75.0 t -76.59 -67.49 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-O 121.179 0.514 . . . . 1.33 111.101 -179.555 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 97.0 mt -38.59 -58.75 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 N-CA-C 114.962 1.467 . . . . 1.25 114.962 -176.519 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 60.4 pttt -84.1 0.03 50.03 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.098 -0.641 . . . . 1.62 112.052 -170.82 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.535 ' C ' HD12 ' A' ' 38' ' ' LEU . 1.1 tm? -93.43 -37.13 12.13 Favored 'General case' 0 N--CA 1.442 -0.836 0 N-CA-C 109.149 -0.685 . . . . 2.6 109.149 178.31 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -59.55 124.89 21.52 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 115.481 -0.781 . . . . 1.15 111.472 -179.57 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.492 ' O ' ' HA ' ' A' ' 62' ' ' THR . . . -68.96 139.52 32.88 Favored Glycine 0 N--CA 1.446 -0.643 0 N-CA-C 110.847 -0.901 . . . . 0.84 110.847 174.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 54.5 t -122.85 127.31 74.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-O 121.28 0.562 . . . . 1.88 111.427 -174.329 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.423 ' HB ' ' HB3' ' A' ' 61' ' ' LEU . 44.3 m -106.0 106.18 16.57 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.307 -0.86 . . . . 1.13 110.111 174.547 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 36.5 mmtm -81.42 122.11 27.09 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.327 -0.62 . . . . 1.45 109.327 175.176 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -129.8 117.06 19.64 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-O 120.834 0.35 . . . . 2.46 111.076 -172.768 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 58.5 m-85 -122.61 130.7 53.29 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.016 -0.538 . . . . 0.63 109.722 178.286 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.467 ' HG3' ' HB3' ' A' ' 57' ' ' ASP . 35.2 ptt180 -156.94 172.56 18.45 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.87 0.367 . . . . 3.72 111.231 -179.402 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . 0.435 ' HA ' ' CD2' ' A' ' 56' ' ' TYR . 13.3 m120 -63.02 159.78 16.41 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.59 -0.732 . . . . 1.9 109.102 170.595 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -53.16 142.93 19.24 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 118.162 0.437 . . . . 1.18 111.906 -177.326 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -45.02 -60.47 2.06 Favored 'General case' 0 C--O 1.237 0.402 0 O-C-N 123.834 0.708 . . . . 1.94 112.833 -175.305 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 66.5 m -58.67 -42.44 88.44 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.489 0.661 . . . . 2.82 110.219 178.659 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 115.66 32.09 1.82 Allowed Glycine 0 N--CA 1.448 -0.502 0 CA-C-N 114.781 -1.099 . . . . 1.96 111.195 179.022 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 52.5 mtmt -87.19 127.69 58.24 Favored Pre-proline 0 C--N 1.322 -0.593 0 N-CA-C 109.501 -0.555 . . . . 3.54 109.501 -177.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.452 ' O ' ' HB2' ' A' ' 54' ' ' ASP . 26.3 Cg_endo -60.13 151.6 71.73 Favored 'Trans proline' 0 C--O 1.236 0.415 0 C-N-CA 123.032 2.488 . . . . 2.1 112.862 -175.908 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.452 ' HB2' ' O ' ' A' ' 53' ' ' PRO . 20.6 m-20 86.54 -58.8 0.05 Allowed 'General case' 0 CA--C 1.516 -0.334 0 O-C-N 124.689 1.243 . . . . 2.44 108.796 177.897 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.427 ' HD2' ' N ' ' A' ' 55' ' ' ARG . 4.7 mpt_? -68.38 137.86 54.89 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 114.892 -1.049 . . . . 4.72 112.111 177.316 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.435 ' CD2' ' HA ' ' A' ' 47' ' ' ASN . 43.6 m-85 -120.51 174.88 6.28 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.124 -0.943 . . . . 1.39 110.237 177.061 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.467 ' HB3' ' HG3' ' A' ' 46' ' ' ARG . 20.0 t70 -130.06 134.48 47.41 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.237 -0.653 . . . . 1.1 109.237 -177.673 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 1.6 tmt? -143.31 129.27 19.54 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.599 0.238 . . . . 1.22 110.397 -175.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -133.24 155.61 49.04 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.193 0.52 . . . . 1.77 111.876 -174.135 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.437 ' HB2' ' OG1' ' A' ' 67' ' ' THR . 54.0 m-80 -128.94 94.62 3.88 Favored 'General case' 0 CA--C 1.515 -0.366 0 CA-C-N 115.302 -0.863 . . . . 1.55 109.906 177.72 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.423 ' HB3' ' HB ' ' A' ' 42' ' ' THR . 63.1 tp -89.56 126.0 35.43 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 109.948 -0.39 . . . . 2.22 109.948 -179.876 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.492 ' HA ' ' O ' ' A' ' 40' ' ' GLY . 19.2 p -135.27 -174.17 3.54 Favored 'General case' 0 N--CA 1.451 -0.398 0 N-CA-C 109.736 -0.468 . . . . 1.16 109.736 -178.847 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 18.4 p -91.8 -20.49 21.44 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.936 0.398 . . . . 1.14 110.953 -178.206 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.401 ' HE3' HG11 ' A' ' 35' ' ' VAL . 75.9 mmtt -107.94 -33.87 7.08 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.919 0.39 . . . . 2.64 111.167 -173.507 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.606 ' HG3' ' H ' ' A' ' 66' ' ' ASP . 22.3 tptp -139.27 -142.27 0.15 Allowed 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 109.331 -0.618 . . . . 2.34 109.331 -178.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.606 ' H ' ' HG3' ' A' ' 65' ' ' LYS . 15.2 t70 160.55 129.51 0.0 OUTLIER 'General case' 0 C--N 1.308 -1.227 0 O-C-N 124.406 1.067 . . . . 2.12 109.677 -168.245 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.486 HG23 ' O ' ' A' ' 81' ' ' GLU . 13.0 p -126.8 157.7 38.53 Favored 'General case' 0 C--N 1.314 -0.957 0 N-CA-C 108.584 -0.895 . . . . 1.17 108.584 168.442 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -152.85 80.88 1.21 Allowed 'General case' 0 C--N 1.314 -0.96 0 CA-C-O 121.835 0.826 . . . . 2.5 110.391 -176.818 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -67.1 87.15 0.15 Allowed 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 114.429 -1.26 . . . . 0.48 109.453 178.629 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -87.93 127.75 35.37 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 112.854 0.687 . . . . 2.79 112.854 -177.693 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 17.2 t70 62.43 67.83 0.7 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 114.81 -1.086 . . . . 2.07 110.959 170.241 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 68.2 p-90 -119.21 162.11 19.24 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.824 -0.626 . . . . 0.51 110.991 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -124.62 146.34 49.13 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.081 -0.711 . . . . 1.22 109.081 171.777 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.607 HD13 ' H ' ' A' ' 74' ' ' LEU . 0.0 OUTLIER -61.84 140.19 58.29 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.757 0.789 . . . . 2.28 110.122 173.3 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 84.23 7.92 84.38 Favored Glycine 0 N--CA 1.444 -0.778 0 CA-C-N 114.871 -1.059 . . . . 0.66 111.88 -170.203 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -117.29 125.46 51.12 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-O 121.354 0.597 . . . . 2.37 111.412 -178.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.452 ' HA ' ' HA ' ' A' ' 91' ' ' THR . 42.4 tt0 -89.86 127.87 36.08 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.013 -0.994 . . . . 1.4 110.401 173.346 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 21.0 p90 -133.3 154.29 50.83 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.932 -0.577 . . . . 0.69 110.537 -178.536 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -94.13 145.86 24.39 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 110.01 -0.367 . . . . 2.38 110.01 177.784 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 41.9 t0 -152.3 168.14 26.38 Favored 'General case' 0 C--O 1.248 0.977 0 N-CA-C 110.029 -0.36 . . . . 1.26 110.029 -176.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.561 ' HA ' ' NE2' ' A' ' 87' ' ' GLN . 10.0 pt-20 -85.13 88.83 7.51 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-O 121.807 0.813 . . . . 2.26 109.829 -178.769 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.555 ' HB1' ' OD1' ' A' ' 84' ' ' ASP . . . -48.31 146.96 2.52 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 113.893 -1.503 . . . . 1.61 114.298 -169.044 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.438 ' HA ' ' HG2' ' A' ' 65' ' ' LYS . 2.8 mm? -55.83 -36.67 67.75 Favored 'General case' 0 CA--C 1.517 -0.315 0 CA-C-N 115.32 -0.855 . . . . 1.98 108.754 170.545 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.555 ' OD1' ' HB1' ' A' ' 82' ' ' ALA . 6.2 p-10 -78.65 23.62 0.31 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 114.499 -1.228 . . . . 1.55 112.287 -177.752 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 48.0 m 61.44 29.04 18.27 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 115.748 -0.66 . . . . 1.68 112.532 170.038 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 71.8 p -128.67 -174.7 3.31 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.684 -0.487 . . . . 1.5 109.684 174.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . 0.561 ' NE2' ' HA ' ' A' ' 81' ' ' GLU . 31.0 mm-40 -117.5 119.64 35.65 Favored 'General case' 0 C--N 1.31 -1.124 0 N-CA-C 108.011 -1.107 . . . . 1.88 108.011 172.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . 0.66 ' HB2' ' O ' ' A' ' 105' ' ' ILE . 20.7 p80 -153.33 169.43 23.11 Favored 'General case' 0 C--N 1.316 -0.858 0 C-N-CA 118.373 -1.331 . . . . 1.51 113.243 179.313 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 53.7 pttt -81.49 152.98 27.07 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 114.458 -1.246 . . . . 1.95 110.266 -174.366 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.437 HG12 ' CB ' ' A' ' 104' ' ' HIS . 67.6 mt -145.91 120.99 3.05 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 CA-C-N 115.18 -0.918 . . . . 1.19 110.077 -176.491 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.452 ' HA ' ' HA ' ' A' ' 77' ' ' GLU . 19.3 m -98.2 124.58 42.86 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-O 120.861 0.362 . . . . 1.12 110.367 175.28 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -102.12 124.08 47.09 Favored 'General case' 0 CA--C 1.506 -0.713 0 N-CA-C 108.157 -1.053 . . . . 0.81 108.157 174.387 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -143.3 138.37 29.49 Favored 'General case' 0 C--N 1.314 -0.949 0 C-N-CA 120.651 -0.419 . . . . 1.69 110.516 -171.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -87.34 116.23 25.29 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.281 -0.418 . . . . 1.81 109.915 176.269 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 53.6 tttm -89.92 -52.84 4.77 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.659 -0.7 . . . . 3.48 109.115 -176.739 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -133.98 165.4 36.96 Favored Pre-proline 0 C--N 1.32 -0.699 0 N-CA-C 107.895 -1.15 . . . . 1.79 107.895 174.677 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 13.2 Cg_exo -71.75 4.46 3.08 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.624 2.216 . . . . 1.07 111.312 178.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . 0.522 ' O ' ' HA ' ' A' ' 119' ' ' ARG . 5.1 t-20 -127.34 0.95 6.35 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.319 -0.855 . . . . 2.63 109.495 178.273 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 24.6 m -143.54 107.72 4.75 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-O 121.238 0.542 . . . . 1.26 112.039 -175.34 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.539 HD23 ' N ' ' A' ' 101' ' ' THR . 3.2 tt -91.77 143.39 26.58 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 107.386 -1.339 . . . . 1.78 107.386 172.59 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' THR . . . . . 0.539 ' N ' HD23 ' A' ' 100' ' ' LEU . 33.0 p -125.94 141.93 51.75 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 119.576 1.08 . . . . 1.11 112.476 -179.205 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.596 ' O ' ' HA ' ' A' ' 115' ' ' THR . 34.8 tt0 -112.05 109.76 19.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.418 -0.81 . . . . 1.31 109.695 172.703 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 54.3 m -103.22 101.43 11.37 Favored 'General case' 0 C--N 1.317 -0.808 0 N-CA-C 108.978 -0.749 . . . . 1.12 108.978 175.612 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' HIS . . . . . 0.437 ' CB ' HG12 ' A' ' 90' ' ' ILE . 0.8 OUTLIER -111.58 135.91 51.51 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-O 121.14 0.495 . . . . 2.22 110.714 -174.736 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.66 ' O ' ' HB2' ' A' ' 88' ' ' HIS . 48.7 mt -137.44 137.88 45.44 Favored 'Isoleucine or valine' 0 C--O 1.233 0.214 0 CA-C-N 115.231 -0.895 . . . . 1.36 111.278 -172.615 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . 0.549 ' HB2' ' O ' ' A' ' 109' ' ' ASP . 34.1 mmtm -59.39 123.82 18.01 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.975 -0.557 . . . . 2.12 111.866 174.255 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . 0.464 HG12 ' HA ' ' A' ' 88' ' ' HIS . 19.2 m -68.61 -27.97 38.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 115.832 -0.622 . . . . 2.03 110.209 171.559 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -72.16 -67.78 0.52 Allowed 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.356 -0.838 . . . . 2.5 109.97 177.626 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . 0.549 ' O ' ' HB2' ' A' ' 106' ' ' LYS . 6.8 p-10 -124.19 93.16 47.23 Favored Pre-proline 0 C--N 1.323 -0.571 0 CA-C-N 115.307 -0.86 . . . . 2.39 110.128 178.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . 0.438 ' HD2' ' HA ' ' A' ' 109' ' ' ASP . 51.4 Cg_endo -67.0 14.26 0.13 Allowed 'Trans proline' 0 C--O 1.233 0.247 0 C-N-CA 123.871 3.047 . . . . 0.91 113.865 -175.669 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' THR . . . . . 0.41 ' H ' ' C ' ' A' ' 109' ' ' ASP . 32.3 p -76.49 -22.5 54.43 Favored 'General case' 0 N--CA 1.443 -0.812 0 N-CA-C 109.427 -0.583 . . . . 1.91 109.427 172.225 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . 0.534 ' HB3' ' CG ' ' A' ' 106' ' ' LYS . 38.1 t70 -78.9 92.06 4.85 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.454 -0.794 . . . . 1.59 109.635 172.625 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.474 HG11 HG12 ' A' ' 105' ' ' ILE . 0.0 OUTLIER -117.16 124.35 72.91 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.608 0 CA-C-N 115.595 -0.729 . . . . 2.17 111.024 -178.983 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . 0.415 ' HB3' ' CD2' ' A' ' 104' ' ' HIS . 40.8 tt0 -147.87 147.11 29.41 Favored 'General case' 0 C--N 1.317 -0.828 0 C-N-CA 120.144 -0.622 . . . . 2.78 111.578 -177.01 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' THR . . . . . 0.596 ' HA ' ' O ' ' A' ' 102' ' ' GLU . 31.6 m -135.52 127.24 29.12 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 115.848 -0.615 . . . . 1.18 110.986 -179.648 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' TYR . . . . . 0.598 ' CE1' ' HE1' ' A' ' 129' ' ' MET . 18.6 m-85 -106.18 155.26 19.63 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 107.204 -1.406 . . . . 1.49 107.204 171.552 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . 0.446 ' HG2' HG21 ' A' ' 101' ' ' THR . 26.3 mt-10 -130.04 130.7 45.27 Favored 'General case' 0 N--CA 1.447 -0.596 0 N-CA-C 108.589 -0.893 . . . . 1.53 108.589 -175.742 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 50.8 m-85 -101.86 103.27 13.95 Favored 'General case' 0 C--N 1.316 -0.854 0 N-CA-C 109.814 -0.439 . . . . 1.0 109.814 -179.619 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . 0.522 ' HA ' ' O ' ' A' ' 98' ' ' ASN . 69.1 mtp85 -102.57 157.06 17.2 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.955 -0.566 . . . . 3.96 110.151 179.394 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . 0.651 ' NH2' ' HA ' ' A' ' 123' ' ' ASP . 6.4 mmm180 -117.65 118.26 31.61 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 120.949 0.404 . . . . 2.25 111.995 178.043 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -132.06 118.91 20.29 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.551 -0.75 . . . . 1.08 109.883 175.098 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 70.2 -116.57 6.77 Favored Glycine 0 N--CA 1.447 -0.567 0 N-CA-C 110.792 -0.923 . . . . 1.04 110.792 -174.575 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . 0.651 ' HA ' ' NH2' ' A' ' 120' ' ' ARG . 28.3 t70 -121.73 19.28 11.08 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.625 0.726 . . . . 2.31 109.515 172.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . 0.665 ' CE2' ' HB3' ' A' ' 141' ' ' LYS . 88.5 m-85 -102.75 133.77 47.25 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.635 -0.711 . . . . 1.17 111.073 -178.156 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . 0.431 ' HB3' ' HB2' ' A' ' 140' ' ' TYR . 3.1 tm? -81.49 111.48 17.85 Favored 'General case' 0 N--CA 1.445 -0.715 0 N-CA-C 107.162 -1.421 . . . . 1.66 107.162 171.05 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 46.8 t -101.19 108.36 23.23 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.862 0 CA-C-O 121.046 0.451 . . . . 1.1 110.213 -171.226 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 127' ' ' MET . . . . . . . . . . . . . 10.3 ttm -81.43 123.96 29.03 Favored 'General case' 0 C--N 1.313 -0.983 0 CA-C-N 115.743 -0.662 . . . . 1.4 110.008 176.669 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 22.4 tptm -117.22 128.05 54.71 Favored 'General case' 0 C--N 1.315 -0.903 0 N-CA-C 108.703 -0.851 . . . . 2.68 108.703 178.424 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 129' ' ' MET . . . . . 0.598 ' HE1' ' CE1' ' A' ' 116' ' ' TYR . 7.2 ptm -150.1 135.54 18.17 Favored 'General case' 0 C--N 1.311 -1.077 0 N-CA-C 109.231 -0.655 . . . . 1.66 109.231 -175.478 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 1.8 m -140.77 136.92 32.99 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 120.905 0.383 . . . . 1.5 111.012 -176.818 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 131' ' ' TRP . . . . . 0.593 ' CD1' ' HD3' ' A' ' 132' ' ' LYS . 33.0 t-105 -141.32 125.33 17.2 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.892 -0.595 . . . . 0.88 110.09 -178.119 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . 0.593 ' HD3' ' CD1' ' A' ' 131' ' ' TRP . 13.9 mptt 48.9 45.19 22.48 Favored 'General case' 0 C--N 1.33 -0.283 0 O-C-N 123.695 0.622 . . . . 2.42 112.051 -179.118 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 82.65 -7.22 66.12 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.941 -0.647 . . . . 0.53 113.604 177.581 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 16.5 t -94.34 104.68 16.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 117.353 0.576 . . . . 1.13 110.055 178.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 1.3 m -99.46 150.22 22.41 Favored 'General case' 0 N--CA 1.441 -0.892 0 CA-C-N 116.019 -0.537 . . . . 1.64 110.684 -179.541 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 5.8 t -152.19 143.47 23.28 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.881 -0.6 . . . . 1.1 111.013 176.696 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 37.9 m -110.3 125.78 53.52 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.6 -0.727 . . . . 1.06 110.182 174.218 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 9.2 mtm180 -107.78 114.94 29.26 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.028 -0.73 . . . . 2.41 109.028 175.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 91.2 m-85 -91.47 121.03 32.81 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.124 -0.489 . . . . 1.03 111.344 -173.129 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 140' ' ' TYR . . . . . 0.431 ' HB2' ' HB3' ' A' ' 125' ' ' LEU . 61.0 m-85 -111.6 137.04 49.98 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.405 -0.816 . . . . 0.92 110.111 178.037 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 141' ' ' LYS . . . . . 0.665 ' HB3' ' CE2' ' A' ' 124' ' ' TYR . 0.0 OUTLIER -120.7 165.09 15.57 Favored 'General case' 0 C--O 1.208 -1.104 0 N-CA-C 107.755 -1.202 . . . . 2.41 107.755 174.024 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 60.0 mttp -49.13 164.47 0.07 Allowed 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 119.033 0.833 . . . . 2.59 112.685 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . 0.463 ' CD ' ' HG2' ' A' ' 12' ' ' LYS . 46.8 mm-40 . . . . . 0 C--O 1.25 1.095 0 O-C-N 121.299 -0.876 . . . . 1.74 110.495 165.748 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.3 m . . . . . 0 N--CA 1.45 -0.435 0 N-CA-C 109.596 -0.52 . . . . 1.44 109.596 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.494 ' HB2' ' CE1' ' A' ' 56' ' ' TYR . 0.4 OUTLIER -57.3 120.89 43.41 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-N 116.062 -0.517 . . . . 1.33 110.817 -176.655 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . 0.428 ' HD2' HD22 ' A' ' 3' ' ' LEU . 44.0 Cg_exo -56.18 123.81 14.75 Favored 'Trans proline' 0 N--CA 1.459 -0.512 0 C-N-CA 122.666 2.244 . . . . 0.81 111.015 174.293 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -53.04 -21.97 5.26 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.819 -0.628 . . . . 2.19 112.398 -178.374 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 52.2 mtmt -52.42 -32.22 38.16 Favored 'General case' 0 CA--C 1.532 0.255 0 N-CA-C 112.042 0.386 . . . . 3.1 112.042 176.317 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 30.3 m-85 -92.55 -2.12 56.42 Favored 'General case' 0 C--N 1.331 -0.21 0 O-C-N 122.2 -0.313 . . . . 0.74 111.743 -175.501 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 89.8 mt -95.19 142.08 28.04 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.071 0.462 . . . . 1.12 111.413 -170.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 136.38 174.78 13.49 Favored Glycine 0 N--CA 1.448 -0.558 0 CA-C-N 115.47 -0.786 . . . . 0.52 112.126 179.613 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.465 HG22 ' HG2' ' A' ' 44' ' ' LYS . 52.7 m -102.97 120.39 40.56 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.843 -0.429 . . . . 1.62 109.843 175.699 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.43 ' HA ' ' HA ' ' A' ' 142' ' ' LYS . 23.9 m-85 -118.82 135.27 54.63 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.953 -0.112 . . . . 0.57 111.29 -175.438 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.587 ' HD3' ' O ' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -94.49 139.8 30.67 Favored 'General case' 0 C--O 1.235 0.312 0 C-N-CA 120.247 -0.581 . . . . 2.65 110.551 169.375 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.0 tt -55.75 112.64 1.21 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.03 -0.532 . . . . 1.79 110.895 174.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -78.58 -52.13 8.92 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.675 -0.491 . . . . 2.08 109.675 179.238 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 28.7 ptt-85 -162.75 177.11 9.61 Favored 'General case' 0 C--O 1.234 0.266 0 N-CA-C 110.036 -0.357 . . . . 3.92 110.036 178.215 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -134.02 159.14 41.7 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.482 -0.326 . . . . 1.19 110.623 -177.436 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -141.38 117.42 10.57 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.363 -0.38 . . . . 2.66 110.246 179.642 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 42.2 t30 68.86 25.3 6.2 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-O 121.516 0.674 . . . . 0.97 110.951 176.422 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.598 ' CD1' ' HD2' ' A' ' 138' ' ' ARG . 19.5 t80 -76.02 -41.21 51.68 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.549 -0.75 . . . . 0.64 110.676 -176.116 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.423 ' O ' ' HG3' ' A' ' 24' ' ' LYS . 16.3 t70 -54.62 -52.0 63.6 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.979 0.419 . . . . 2.04 110.447 176.598 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 63.7 mm-40 -53.76 -43.25 69.02 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.574 -0.739 . . . . 1.79 111.449 177.195 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.577 ' CE1' ' HE1' ' A' ' 129' ' ' MET . 80.3 t80 -58.05 -41.28 82.96 Favored 'General case' 0 C--O 1.226 -0.161 0 CA-C-N 116.615 -0.266 . . . . 1.12 110.626 176.471 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.435 ' HG ' ' O ' ' A' ' 19' ' ' PHE . 90.0 mt -65.66 -41.02 93.01 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.821 0.343 . . . . 1.13 110.405 -178.242 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.423 ' HG3' ' O ' ' A' ' 20' ' ' ASP . 27.4 mtpp -61.72 -52.95 62.16 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.37 0.605 . . . . 2.43 109.825 177.561 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.87 -40.14 79.49 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 114.877 -1.056 . . . . 1.2 111.179 178.477 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 23.7 tpt85 -67.82 -19.52 65.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.714 -0.676 . . . . 1.71 111.184 -177.302 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 103.77 25.39 7.25 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.654 -0.784 . . . . 0.62 113.5 179.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 59.4 m-85 -99.28 127.27 45.26 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 117.159 0.479 . . . . 0.99 110.69 177.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.52 ' O ' ' HG3' ' A' ' 33' ' ' ARG . . . -75.4 178.65 47.2 Favored Glycine 0 N--CA 1.446 -0.644 0 CA-C-N 115.543 -0.753 . . . . 1.54 112.57 -179.558 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.54 ' O ' ' HG2' ' A' ' 34' ' ' GLN . 86.7 t90 -49.42 -51.29 36.33 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 122.91 0.484 . . . . 1.31 112.022 -175.296 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 1.3 mm -54.18 -53.79 26.19 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 N-CA-C 111.748 0.277 . . . . 2.68 111.748 -178.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.579 ' O ' HG13 ' A' ' 36' ' ' ILE . 69.2 mmm -57.98 -40.81 81.57 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.341 -0.39 . . . . 1.16 110.993 179.515 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.52 ' HG3' ' O ' ' A' ' 29' ' ' GLY . 59.8 mtm-85 -68.21 -15.98 63.79 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.766 0.317 . . . . 2.48 111.134 -179.071 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.54 ' HG2' ' O ' ' A' ' 30' ' ' TRP . 29.0 mm-40 -89.62 -17.8 27.75 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.838 0.351 . . . . 2.4 110.523 176.913 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 57.8 t -95.13 -63.8 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 121.071 0.462 . . . . 1.33 110.876 177.376 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.579 HG13 ' O ' ' A' ' 32' ' ' MET . 34.9 mt -45.72 -49.11 4.47 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.424 0 N-CA-C 114.447 1.277 . . . . 1.25 114.447 -174.442 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.471 ' HG3' HD23 ' A' ' 38' ' ' LEU . 64.6 pttt -85.28 -0.18 53.92 Favored 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 120.045 -0.662 . . . . 1.62 111.908 -173.507 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.514 HD22 ' O ' ' A' ' 34' ' ' GLN . 2.7 mm? -110.12 2.01 19.17 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.104 0.478 . . . . 2.6 110.343 176.909 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -85.31 123.52 30.88 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 115.876 -0.602 . . . . 1.15 110.25 178.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.594 ' O ' ' HA ' ' A' ' 62' ' ' THR . . . -66.46 130.53 31.79 Favored Glycine 0 N--CA 1.446 -0.672 0 N-CA-C 111.086 -0.806 . . . . 0.84 111.086 175.005 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 40.7 t -121.04 124.86 73.15 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-O 120.952 0.406 . . . . 1.88 110.578 -174.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 15.1 m -114.49 114.24 25.53 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.904 -0.589 . . . . 1.13 110.253 179.298 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.891 ' HZ1' ' HH ' ' A' ' 118' ' ' TYR . 73.8 mmtt -89.31 136.36 33.07 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.084 -0.507 . . . . 1.45 109.932 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.495 ' O ' ' HA ' ' A' ' 58' ' ' MET . 93.7 mttt -133.55 100.42 4.8 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.604 0.24 . . . . 2.46 111.27 -176.385 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 82.3 m-85 -105.37 129.69 53.64 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.716 -0.476 . . . . 0.63 109.716 175.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.418 ' HG3' ' O ' ' A' ' 47' ' ' ASN . 12.3 ptp180 -156.42 172.01 19.26 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 116.64 -0.255 . . . . 3.72 110.528 -178.847 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . 0.418 ' O ' ' HG3' ' A' ' 46' ' ' ARG . 25.5 m-80 -65.5 152.57 43.7 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 108.571 -0.9 . . . . 1.9 108.571 169.173 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -53.82 134.19 42.48 Favored 'General case' 0 CA--C 1.519 -0.222 0 CA-C-O 121.376 0.608 . . . . 1.18 111.153 -176.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.7 -38.98 86.83 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 114.425 -1.261 . . . . 1.94 112.672 -167.733 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 32.5 t -83.37 16.96 2.28 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-O 121.341 0.591 . . . . 2.82 110.957 179.217 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 67.7 36.53 87.74 Favored Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.953 -0.642 . . . . 1.96 112.758 178.672 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.428 ' HZ3' ' CG ' ' A' ' 71' ' ' ASP . 95.8 mttt -82.22 121.78 78.9 Favored Pre-proline 0 C--N 1.324 -0.532 0 N-CA-C 109.995 -0.372 . . . . 3.54 109.995 177.377 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.465 ' O ' ' HB2' ' A' ' 54' ' ' ASP . 61.1 Cg_endo -70.66 141.17 40.94 Favored 'Trans proline' 0 C--O 1.236 0.376 0 C-N-CA 122.708 2.272 . . . . 2.1 112.007 -177.592 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.465 ' HB2' ' O ' ' A' ' 53' ' ' PRO . 16.1 m-20 79.78 -48.63 0.37 Allowed 'General case' 0 N--CA 1.469 0.523 0 O-C-N 124.091 0.87 . . . . 2.44 109.455 -178.764 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 15.7 mmt180 -60.26 136.0 57.9 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.352 -0.84 . . . . 4.72 111.911 172.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.494 ' CE1' ' HB2' ' A' ' 3' ' ' LEU . 47.4 m-85 -121.18 165.67 15.06 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.316 -0.856 . . . . 1.39 109.856 174.852 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -120.2 140.03 51.75 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 116.463 -0.335 . . . . 1.1 110.282 -176.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.562 ' HE3' ' OD1' ' A' ' 60' ' ' ASN . 9.9 tpt -137.36 135.2 36.8 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.253 -0.43 . . . . 1.22 110.244 -178.043 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.428 ' HB3' ' HB2' ' A' ' 44' ' ' LYS . 35.3 tt0 -133.08 137.08 46.25 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 121.03 0.443 . . . . 1.77 110.436 -179.89 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.631 ' HB2' ' OG1' ' A' ' 67' ' ' THR . 0.9 OUTLIER -117.62 90.29 3.3 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 108.454 -0.943 . . . . 1.55 108.454 -178.243 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 59.8 tp -90.44 139.52 30.6 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.388 -0.369 . . . . 2.22 110.358 -177.592 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.594 ' HA ' ' O ' ' A' ' 40' ' ' GLY . 49.3 p -138.4 -164.37 1.62 Allowed 'General case' 0 N--CA 1.445 -0.704 0 N-CA-C 109.342 -0.614 . . . . 1.16 109.342 177.699 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 64.0 p -94.44 -31.4 13.99 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-O 121.22 0.533 . . . . 1.14 110.772 179.167 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 72.2 mmtt -108.83 -11.01 15.08 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.622 -0.717 . . . . 2.64 111.794 -172.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.425 ' HG2' ' HA ' ' A' ' 83' ' ' LEU . 12.9 tptp -142.42 -152.99 0.44 Allowed 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 120.911 -0.316 . . . . 2.34 110.904 -177.643 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 15.2 t70 166.97 126.84 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.242 -0.89 . . . . 2.12 110.094 -169.528 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.631 ' OG1' ' HB2' ' A' ' 60' ' ' ASN . 35.4 p -139.68 148.86 42.97 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 109.459 -0.571 . . . . 1.17 109.459 175.217 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 9.8 t-160 -141.22 98.08 3.3 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 121.083 0.468 . . . . 2.5 109.846 -179.422 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 32.3 m-70 -76.9 85.46 3.46 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.702 -0.681 . . . . 0.48 109.467 178.719 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 25.0 mttp -71.76 116.08 11.72 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.539 -0.755 . . . . 2.79 112.564 -175.388 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.428 ' CG ' ' HZ3' ' A' ' 52' ' ' LYS . 4.4 p30 48.69 82.73 0.04 OUTLIER 'General case' 0 N--CA 1.472 0.632 0 CA-C-O 122.595 1.188 . . . . 2.07 113.276 174.103 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' TRP . . . . . 0.46 ' HE1' ' CB ' ' A' ' 58' ' ' MET . 64.1 p-90 -114.84 162.36 16.99 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 114.453 -1.248 . . . . 0.51 109.518 176.151 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.634 ' O ' ' HB3' ' A' ' 76' ' ' GLU . . . -126.32 151.24 47.82 Favored 'General case' 0 C--N 1.317 -0.812 0 N-CA-C 109.31 -0.626 . . . . 1.22 109.31 172.444 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.602 HD13 ' H ' ' A' ' 74' ' ' LEU . 0.0 OUTLIER -65.27 145.05 56.71 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.528 0.68 . . . . 2.28 110.11 172.241 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 82.01 -9.15 58.07 Favored Glycine 0 N--CA 1.446 -0.684 0 CA-C-N 115.068 -0.969 . . . . 0.66 111.983 -171.273 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.634 ' HB3' ' O ' ' A' ' 73' ' ' ALA . 7.6 tp10 -97.21 150.28 21.08 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.251 0.548 . . . . 2.37 110.663 -175.405 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -129.35 123.08 30.87 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.08 -0.963 . . . . 1.4 108.817 179.191 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 51.0 p90 -131.92 157.12 44.85 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 116.246 -0.433 . . . . 0.69 109.954 -176.154 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -92.23 142.26 27.67 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 109.224 -0.658 . . . . 2.38 109.224 176.702 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 34.0 t0 -164.02 162.61 23.28 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.263 -0.643 . . . . 1.26 109.263 -173.564 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.478 ' HA ' ' HA ' ' A' ' 87' ' ' GLN . 31.9 tt0 -98.75 114.77 27.44 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.522 0.677 . . . . 2.26 109.329 -179.727 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -82.91 174.07 11.25 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 114.636 -1.166 . . . . 1.61 112.055 -174.188 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.425 ' HA ' ' HG2' ' A' ' 65' ' ' LYS . 13.4 mt -64.7 -16.94 63.62 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.358 -0.837 . . . . 1.98 110.812 -179.661 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 6.2 p30 -77.83 8.85 4.04 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.452 -0.794 . . . . 1.55 112.067 179.398 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 14.5 m 73.7 3.18 4.45 Favored 'General case' 0 N--CA 1.465 0.281 0 C-N-CA 123.285 0.634 . . . . 1.68 112.345 174.689 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 16.6 p -119.38 160.62 21.95 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.749 0.309 . . . . 1.5 110.311 176.348 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . 0.478 ' HA ' ' HA ' ' A' ' 81' ' ' GLU . 3.4 pt20 -114.49 129.52 56.67 Favored 'General case' 0 CA--C 1.507 -0.687 0 CA-C-O 121.608 0.718 . . . . 1.88 110.557 179.861 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . 0.595 ' CB ' ' HA ' ' A' ' 106' ' ' LYS . 4.1 p80 -149.39 175.11 11.75 Favored 'General case' 0 C--N 1.313 -0.994 0 CA-C-N 114.811 -1.086 . . . . 1.51 110.066 -174.065 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 15.2 pttp -79.09 139.99 37.95 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-O 121.324 0.583 . . . . 1.95 109.741 -176.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 64.8 mt -134.77 126.34 47.44 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.026 0 CA-C-N 115.142 -0.935 . . . . 1.19 110.329 -173.042 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 8.7 m -109.59 132.68 53.92 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 115.978 -0.555 . . . . 1.12 110.501 179.089 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -108.48 135.11 50.3 Favored 'General case' 0 C--N 1.317 -0.821 0 N-CA-C 108.014 -1.106 . . . . 0.81 108.014 171.691 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -155.06 142.01 19.17 Favored 'General case' 0 C--N 1.317 -0.833 0 C-N-CA 120.639 -0.424 . . . . 1.69 110.886 -176.527 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -87.56 116.51 25.73 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 109.303 -0.628 . . . . 1.81 109.303 175.12 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 40.2 ttpt -80.74 -43.94 19.43 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 108.444 -0.947 . . . . 3.48 108.444 -177.353 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -157.3 165.13 19.43 Favored Pre-proline 0 C--N 1.32 -0.686 0 N-CA-C 107.347 -1.353 . . . . 1.79 107.347 175.047 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -60.68 4.65 0.19 Allowed 'Trans proline' 0 CA--C 1.535 0.538 0 C-N-CA 123.184 2.589 . . . . 1.07 114.615 -175.591 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . 0.54 ' OD1' ' HB3' ' A' ' 120' ' ' ARG . 65.8 t30 -132.04 11.97 4.69 Favored 'General case' 0 C--N 1.329 -0.307 0 O-C-N 122.128 -0.358 . . . . 2.63 111.18 177.262 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 42.3 m -152.91 116.15 4.65 Favored 'General case' 0 CA--C 1.533 0.323 0 N-CA-C 112.911 0.708 . . . . 1.26 112.911 179.174 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -90.2 154.02 20.06 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 114.978 -1.01 . . . . 1.78 108.322 172.096 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' THR . . . . . 0.41 HG23 ' HG2' ' A' ' 117' ' ' GLU . 18.2 p -129.77 135.54 48.57 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 118.619 0.645 . . . . 1.11 111.296 175.565 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 65.0 tt0 -117.2 106.45 13.32 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.793 -0.64 . . . . 1.31 109.363 175.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 50.7 m -105.66 121.18 43.47 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.127 0.489 . . . . 1.12 111.164 -175.5 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' HIS . . . . . 0.509 ' HB3' ' CE1' ' A' ' 88' ' ' HIS . 9.8 m170 -104.03 117.2 33.72 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.906 -0.588 . . . . 2.22 109.908 179.41 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.538 ' O ' ' HB2' ' A' ' 88' ' ' HIS . 46.1 mt -118.9 119.1 59.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 121.111 0.481 . . . . 1.36 110.58 175.374 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . 0.595 ' HA ' ' CB ' ' A' ' 88' ' ' HIS . 46.0 mtpt -64.61 124.55 22.17 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.473 -0.785 . . . . 2.12 111.968 -177.55 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . 0.494 HG23 ' HA ' ' A' ' 88' ' ' HIS . 86.4 t -58.69 -35.49 55.69 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.63 0 CA-C-N 114.432 -1.258 . . . . 2.03 110.949 176.692 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . 0.513 ' OD2' ' HE2' ' A' ' 106' ' ' LYS . 18.3 p-10 -82.0 -42.75 18.92 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.346 -0.843 . . . . 2.5 110.613 -179.053 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . 0.568 ' O ' ' HB2' ' A' ' 106' ' ' LYS . 18.5 m-20 -135.29 89.7 22.58 Favored Pre-proline 0 CA--C 1.516 -0.337 0 CA-C-O 121.107 0.48 . . . . 2.39 110.897 176.546 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -70.67 1.07 5.41 Favored 'Trans proline' 0 C--N 1.332 -0.29 0 C-N-CA 123.292 2.661 . . . . 0.91 113.282 -176.519 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 37.4 p -81.32 -17.9 47.61 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.451 0.644 . . . . 1.91 109.606 176.477 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -88.72 49.95 1.88 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.267 -0.879 . . . . 1.59 110.072 179.353 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 2.3 p -71.83 114.5 10.51 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.032 0 CA-C-O 121.506 0.669 . . . . 2.17 111.513 -179.676 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -113.72 137.38 51.7 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.037 -0.983 . . . . 2.78 109.896 -176.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 27.5 m -135.4 129.76 33.82 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.256 0.55 . . . . 1.18 112.127 -177.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' TYR . . . . . 0.572 ' CE1' ' HE3' ' A' ' 129' ' ' MET . 4.7 m-30 -107.72 152.66 24.04 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 106.611 -1.625 . . . . 1.49 106.611 169.721 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . 0.461 ' O ' ' HA ' ' A' ' 127' ' ' MET . 35.4 mt-10 -130.18 131.7 45.72 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 119.278 0.945 . . . . 1.53 108.484 -178.282 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . 0.891 ' HH ' ' HZ1' ' A' ' 43' ' ' LYS . 99.1 m-85 -104.87 95.49 5.91 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 120.83 0.348 . . . . 1.0 110.837 -177.404 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.49 151.71 23.93 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 109.842 -0.429 . . . . 3.96 109.842 179.649 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . 0.54 ' HB3' ' OD1' ' A' ' 98' ' ' ASN . 21.3 tpt180 -99.14 133.01 44.04 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 120.826 0.346 . . . . 2.25 110.708 -176.857 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -121.33 76.75 1.26 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.021 -0.536 . . . . 1.08 109.661 177.541 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 64.93 -95.32 0.19 Allowed Glycine 0 N--CA 1.447 -0.6 0 CA-C-N 115.541 -0.754 . . . . 1.04 112.562 -179.44 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -102.17 -10.31 19.73 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.174 0.512 . . . . 2.31 110.664 -178.703 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . 0.449 ' CD2' ' HB3' ' A' ' 141' ' ' LYS . 95.1 m-85 -104.69 146.95 28.23 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.157 0.503 . . . . 1.17 111.597 -177.259 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -99.36 122.01 41.9 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 107.363 -1.347 . . . . 1.66 107.363 172.054 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 59.9 t -117.38 127.55 74.84 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-O 121.224 0.535 . . . . 1.1 110.63 -171.27 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 127' ' ' MET . . . . . 0.461 ' HA ' ' O ' ' A' ' 117' ' ' GLU . 29.2 ttm -97.31 140.36 31.9 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 115.462 -0.79 . . . . 1.4 110.341 178.409 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -126.88 113.84 17.09 Favored 'General case' 0 C--N 1.316 -0.856 0 N-CA-C 109.485 -0.561 . . . . 2.68 109.485 176.47 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 129' ' ' MET . . . . . 0.577 ' HE1' ' CE1' ' A' ' 22' ' ' TYR . 24.5 mtp -113.62 143.04 45.24 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 108.641 -0.874 . . . . 1.66 108.641 179.854 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 130' ' ' SER . . . . . 0.443 ' HA ' ' O ' ' A' ' 134' ' ' VAL . 11.7 p -141.17 130.31 23.41 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.453 -0.499 . . . . 1.5 112.187 -177.846 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 131' ' ' TRP . . . . . 0.514 ' CD1' ' HD3' ' A' ' 132' ' ' LYS . 43.4 t-105 -144.38 124.45 13.62 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.259 -0.882 . . . . 0.88 109.768 175.791 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . 0.514 ' HD3' ' CD1' ' A' ' 131' ' ' TRP . 14.3 mptt 51.78 44.28 29.42 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-O 121.1 0.476 . . . . 2.42 111.484 -176.472 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 85.18 -27.14 5.17 Favored Glycine 0 N--CA 1.45 -0.413 0 CA-C-N 115.844 -0.616 . . . . 0.53 112.661 178.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . 0.443 ' O ' ' HA ' ' A' ' 130' ' ' SER . 16.0 t -70.18 105.12 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 120.836 0.35 . . . . 1.13 110.206 -177.321 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 135' ' ' SER . . . . . 0.481 ' HA ' ' O ' ' A' ' 129' ' ' MET . 4.6 m -102.77 142.16 34.37 Favored 'General case' 0 N--CA 1.43 -1.449 0 CA-C-O 121.241 0.543 . . . . 1.64 110.228 177.522 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 136' ' ' THR . . . . . 0.496 ' CG2' ' HB2' ' A' ' 129' ' ' MET . 2.6 t -129.05 125.28 36.92 Favored 'General case' 0 C--N 1.306 -1.315 0 CA-C-N 115.273 -0.876 . . . . 1.1 110.126 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 6.5 m -102.98 108.01 19.02 Favored 'General case' 0 N--CA 1.448 -0.571 0 N-CA-C 109.105 -0.702 . . . . 1.06 109.105 178.294 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 138' ' ' ARG . . . . . 0.598 ' HD2' ' CD1' ' A' ' 19' ' ' PHE . 47.5 mtp180 -107.35 125.45 51.21 Favored 'General case' 0 C--N 1.314 -0.977 0 CA-C-O 121.238 0.542 . . . . 2.41 109.955 -176.674 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 58.5 m-85 -97.95 117.85 33.22 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.222 -0.899 . . . . 1.03 111.213 -167.743 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 95.4 m-85 -108.54 136.26 48.44 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.875 -0.602 . . . . 0.92 110.354 177.803 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 141' ' ' LYS . . . . . 0.449 ' HB3' ' CD2' ' A' ' 124' ' ' TYR . 0.0 OUTLIER -123.33 159.53 28.65 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 107.376 -1.342 . . . . 2.41 107.376 173.712 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 142' ' ' LYS . . . . . 0.515 ' O ' ' HG3' ' A' ' 12' ' ' LYS . 12.3 mmmm -50.05 171.89 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.751 0 N-CA-C 114.758 1.392 . . . . 2.59 114.758 -175.061 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . 0.531 ' NE2' ' HB3' ' A' ' 12' ' ' LYS . 12.8 mm-40 . . . . . 0 C--O 1.25 1.088 0 CA-C-N 114.707 -1.133 . . . . 1.74 110.767 160.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' -11' ' ' MET . . . . . . . . . . . . . 13.7 tmm? . . . . . 0 N--CA 1.478 0.947 0 N-CA-C 109.485 -0.561 . . . . 14.72 109.485 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' -10' ' ' ARG . . . . . . . . . . . . . 61.3 ttt180 -162.57 107.74 1.18 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.852 0.358 . . . . 16.38 110.538 179.384 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' -9' ' ' GLY . . . . . . . . . . . . . . . -130.2 53.7 0.8 Allowed Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 120.824 -0.703 . . . . 12.05 111.829 178.546 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' -8' ' ' SER . . . . . . . . . . . . . 11.6 p -70.58 -37.33 73.92 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.932 0.396 . . . . 11.72 111.219 -176.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' -7' ' ' HIS . . . . . . . . . . . . . 21.1 m-70 -75.2 110.48 9.57 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.073 -0.512 . . . . 12.39 110.635 -178.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' -6' ' ' HIS . . . . . . . . . . . . . 33.5 m170 64.97 75.03 0.38 Allowed 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 115.898 -0.592 . . . . 11.6 111.139 179.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' -5' ' ' HIS . . . . . . . . . . . . . 38.6 p-80 -113.12 50.35 0.89 Allowed 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.192 0.52 . . . . 9.98 110.683 179.205 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' -4' ' ' HIS . . . . . . . . . . . . . 91.9 m-70 -84.22 -32.67 24.39 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.229 -0.441 . . . . 11.3 110.212 178.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' -3' ' ' HIS . . . . . . . . . . . . . 53.3 m80 -72.65 -46.66 52.83 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.018 -0.734 . . . . 9.34 109.018 174.621 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 52.0 t-80 -98.33 54.69 1.09 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.385 -0.825 . . . . 7.77 109.549 176.38 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -72.7 -60.75 3.83 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.421 -0.895 . . . . 3.92 111.194 176.681 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 50.8 m -151.87 113.72 4.43 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.927 -0.398 . . . . 3.42 109.927 174.223 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . 0.532 ' O ' HD22 ' A' ' 74' ' ' LEU . 2.7 mmmp? -87.57 136.11 33.08 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 109.52 -0.548 . . . . 3.45 109.52 174.547 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.54 127.71 39.33 Favored 'General case' 0 C--N 1.312 -1.024 0 CA-C-N 116.438 -0.346 . . . . 1.44 110.209 -178.47 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.609 ' HB2' ' CE1' ' A' ' 56' ' ' TYR . 5.0 mt -51.49 127.91 32.42 Favored Pre-proline 0 N--CA 1.465 0.282 0 CA-C-N 115.74 -0.663 . . . . 1.33 111.747 -179.062 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_endo -66.32 134.51 36.46 Favored 'Trans proline' 0 N--CA 1.454 -0.819 0 C-N-CA 121.877 1.718 . . . . 0.81 110.216 173.04 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.454 ' HA ' HD12 ' A' ' 8' ' ' LEU . 8.1 p-10 -55.71 -17.58 6.23 Favored 'General case' 0 N--CA 1.466 0.332 0 N-CA-C 112.728 0.64 . . . . 2.19 112.728 -173.025 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.492 ' HB3' ' HG3' ' A' ' 120' ' ' ARG . 60.1 mttp -55.49 -31.52 62.08 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 112.159 0.429 . . . . 3.1 112.159 175.65 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.472 ' CE1' ' HG2' ' A' ' 120' ' ' ARG . 47.4 m-85 -96.27 1.75 52.32 Favored 'General case' 0 C--O 1.226 -0.178 0 O-C-N 122.038 -0.414 . . . . 0.74 111.356 -176.584 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.454 HD12 ' HA ' ' A' ' 5' ' ' ASP . 88.5 mt -101.1 150.26 23.11 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.276 0.56 . . . . 1.12 111.568 -172.24 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 115.05 -173.83 14.98 Favored Glycine 0 N--CA 1.444 -0.818 0 CA-C-N 115.334 -0.848 . . . . 0.52 111.662 -177.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.441 HG21 ' HG2' ' A' ' 44' ' ' LYS . 30.8 m -105.8 122.48 46.17 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-O 120.793 0.33 . . . . 1.62 110.533 178.649 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.434 ' HA ' ' HA ' ' A' ' 142' ' ' LYS . 33.9 m-85 -113.45 129.78 56.47 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.125 -0.488 . . . . 0.57 110.538 -178.653 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.505 ' HD3' ' O ' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -100.85 134.97 43.03 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 119.578 -0.849 . . . . 2.65 110.804 172.375 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 61.4 tp -55.65 125.69 22.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.519 -0.764 . . . . 1.79 111.831 178.562 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -92.91 -55.59 3.3 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.013 -0.736 . . . . 2.08 109.013 174.741 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 18.4 ptt180 -158.09 -178.47 7.32 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.135 -0.484 . . . . 3.92 110.754 -176.467 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -156.43 167.76 29.43 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.015 -0.539 . . . . 1.19 109.795 176.61 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 17.9 tp10 -144.76 130.63 19.22 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.709 -0.223 . . . . 2.66 111.216 -174.367 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 40.1 t30 69.13 26.94 5.4 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-O 121.65 0.738 . . . . 0.97 110.779 176.512 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.498 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 8.9 t80 -72.56 -40.51 66.62 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.256 -0.884 . . . . 0.64 111.181 -173.614 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.442 ' OD2' ' HD2' ' A' ' 33' ' ' ARG . 34.0 t70 -58.55 -50.86 72.24 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 120.675 0.274 . . . . 2.04 111.104 178.484 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 41.6 mm-40 -55.37 -42.81 74.46 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 116.203 -0.453 . . . . 1.79 111.277 178.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.599 ' CE1' ' HE3' ' A' ' 129' ' ' MET . 77.6 t80 -59.12 -39.05 81.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.756 0.312 . . . . 1.12 110.831 176.855 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.498 ' HG ' ' O ' ' A' ' 19' ' ' PHE . 73.1 mt -68.15 -39.51 82.61 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.444 -0.344 . . . . 1.13 110.697 -178.094 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 54.0 mtpt -62.55 -49.6 74.63 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.045 -0.525 . . . . 2.43 109.724 177.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.96 -40.59 80.94 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.283 -0.872 . . . . 1.2 111.095 177.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 12.1 mmm180 -70.25 -12.15 61.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.96 -0.564 . . . . 1.71 111.807 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 94.47 22.07 25.22 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.478 -0.867 . . . . 0.62 112.954 177.174 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.504 ' OH ' H151 ' A' 1001 ' ' OLA . 75.2 m-85 -92.83 125.24 37.34 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.78 -0.452 . . . . 0.99 109.78 177.1 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -78.21 179.68 51.49 Favored Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.941 -0.647 . . . . 1.54 112.418 -179.587 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.425 ' O ' ' HG2' ' A' ' 34' ' ' GLN . 80.8 t90 -49.75 -49.66 47.32 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 123.019 0.527 . . . . 1.31 111.7 -178.33 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 1.3 mm -53.7 -53.15 27.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.708 0.29 . . . . 2.68 111.723 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.553 ' O ' HG13 ' A' ' 36' ' ' ILE . 54.8 mmm -60.69 -41.08 94.41 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.22 -0.445 . . . . 1.16 111.211 178.36 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.442 ' HD2' ' OD2' ' A' ' 20' ' ' ASP . 52.6 mtm180 -63.56 -29.48 70.73 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.498 -0.319 . . . . 2.48 110.752 179.532 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.518 ' O ' HD22 ' A' ' 38' ' ' LEU . 15.7 mm100 -71.35 -25.48 62.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.921 0.391 . . . . 2.4 110.844 176.269 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.423 HG11 ' HG3' ' A' ' 64' ' ' LYS . 56.5 t -84.89 -66.79 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 121.238 0.542 . . . . 1.33 110.642 175.072 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.553 HG13 ' O ' ' A' ' 32' ' ' MET . 28.4 mt -49.96 -43.4 20.15 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.494 0 CA-C-N 114.797 -1.092 . . . . 1.25 113.814 -174.049 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 54.2 mtmt -72.89 -22.57 60.73 Favored 'General case' 0 N--CA 1.47 0.538 0 N-CA-C 112.106 0.41 . . . . 1.62 112.106 -175.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.518 HD22 ' O ' ' A' ' 34' ' ' GLN . 3.8 mm? -100.84 3.76 42.24 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.1 0.476 . . . . 2.6 110.727 -175.549 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -85.55 109.48 18.55 Favored 'General case' 0 N--CA 1.445 -0.689 0 CA-C-N 115.741 -0.663 . . . . 1.15 110.856 -179.589 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.484 ' O ' ' HA ' ' A' ' 62' ' ' THR . . . -70.53 146.54 42.34 Favored Glycine 0 N--CA 1.447 -0.605 0 N-CA-C 110.225 -1.15 . . . . 0.84 110.225 173.882 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 45.6 t -131.65 133.64 61.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 117.403 0.602 . . . . 1.88 112.153 -170.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 8.1 m -120.69 122.7 41.02 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.603 -0.726 . . . . 1.13 110.025 175.415 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.712 ' HZ2' ' C1 ' ' A' 1001 ' ' OLA . 44.3 mmtm -93.88 137.73 32.79 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.315 -0.402 . . . . 1.45 110.519 -179.551 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.591 ' O ' ' HA ' ' A' ' 58' ' ' MET . 99.3 mttt -133.82 111.08 10.22 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.883 0.373 . . . . 2.46 110.893 177.344 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.505 ' CE2' ' HG3' ' A' ' 58' ' ' MET . 41.9 m-85 -115.03 134.31 55.29 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.769 -0.651 . . . . 0.63 109.415 175.738 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.415 ' CG ' ' HB2' ' A' ' 57' ' ' ASP . 23.1 ptt180 -154.91 160.66 41.32 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 110.634 -0.136 . . . . 3.72 110.634 -179.153 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 46.6 m-80 -61.96 135.09 57.41 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 108.721 -0.844 . . . . 1.9 108.721 171.647 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.693 ' CB ' ' HD2' ' A' ' 55' ' ' ARG . . . -71.32 125.12 26.15 Favored 'General case' 0 CA--C 1.516 -0.341 0 CA-C-O 121.432 0.634 . . . . 1.18 112.039 -172.055 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -68.14 -6.72 24.64 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 114.684 -1.143 . . . . 1.94 112.275 179.425 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 63.6 p -44.17 -26.58 0.32 Allowed 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 115.714 -0.676 . . . . 2.82 111.878 173.177 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 97.3 3.17 58.82 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.916 -0.659 . . . . 1.96 112.138 177.08 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.486 ' HB2' ' HG2' ' A' ' 55' ' ' ARG . 53.4 mtmt -95.08 174.9 3.17 Favored Pre-proline 0 C--N 1.319 -0.744 0 N-CA-C 109.206 -0.665 . . . . 3.54 109.206 178.356 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -99.68 157.68 0.56 Allowed 'Trans proline' 0 N--CA 1.456 -0.713 0 C-N-CA 122.885 2.39 . . . . 2.1 112.501 171.519 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 29.8 m-20 79.28 -38.17 0.19 Allowed 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.938 0.895 . . . . 2.44 112.636 173.361 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.693 ' HD2' ' CB ' ' A' ' 48' ' ' ALA . 0.0 OUTLIER -56.81 155.79 7.37 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 113.822 1.045 . . . . 4.72 113.822 175.58 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.609 ' CE1' ' HB2' ' A' ' 3' ' ' LEU . 70.9 m-85 -142.63 154.32 44.26 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.755 -0.657 . . . . 1.39 110.718 175.424 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.565 ' OD1' ' HA ' ' A' ' 48' ' ' ALA . 41.8 m-20 -102.62 146.93 27.45 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.958 -0.756 . . . . 1.1 108.958 173.511 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.591 ' HA ' ' O ' ' A' ' 44' ' ' LYS . 1.9 tmt? -149.67 121.29 8.02 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.835 0.35 . . . . 1.22 110.57 177.194 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -119.55 151.21 39.0 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 121.502 0.668 . . . . 1.77 111.277 175.53 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -118.77 89.86 3.21 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 114.672 -1.149 . . . . 1.55 108.977 -177.64 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 60.5 tp -86.24 124.3 32.46 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 110.077 -0.342 . . . . 2.22 110.077 -178.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.484 ' HA ' ' O ' ' A' ' 40' ' ' GLY . 21.7 p -126.71 -166.29 1.57 Allowed 'General case' 0 N--CA 1.435 -1.19 0 N-CA-C 108.643 -0.873 . . . . 1.16 108.643 179.231 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 82.4 p -88.0 -37.94 15.92 Favored 'General case' 0 C--N 1.312 -1.053 0 CA-C-O 121.034 0.445 . . . . 1.14 111.255 -177.725 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.423 ' HG3' HG11 ' A' ' 35' ' ' VAL . 35.5 mmtp -106.54 -17.53 14.23 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.048 -0.523 . . . . 2.64 111.236 -175.546 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.46 ' HB2' ' HG1' ' A' ' 62' ' ' THR . 27.5 mmmt -125.1 -160.74 0.97 Allowed 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.374 -0.375 . . . . 2.34 110.967 -177.498 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 164.63 118.61 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 114.817 -1.083 . . . . 2.12 108.914 -169.035 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 76.4 p -135.64 151.65 50.44 Favored 'General case' 0 C--N 1.314 -0.954 0 CA-C-N 115.478 -0.783 . . . . 1.17 108.894 179.48 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 21.1 t-160 -146.49 94.09 2.39 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 120.936 0.398 . . . . 2.5 110.899 -172.112 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 21.0 m-70 -76.59 87.5 3.28 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.982 -0.553 . . . . 0.48 110.072 179.239 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 13.2 mtmt -69.97 114.23 7.94 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.365 -0.379 . . . . 2.79 111.957 176.62 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 32.5 t70 61.12 83.78 0.14 Allowed 'General case' 0 C--N 1.329 -0.316 0 O-C-N 123.903 0.752 . . . . 2.07 112.204 169.671 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' TRP . . . . . 0.44 ' HE1' ' CB ' ' A' ' 58' ' ' MET . 69.2 p-90 -128.69 159.85 34.34 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.396 -0.365 . . . . 0.51 110.567 176.055 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.57 ' O ' ' HB3' ' A' ' 76' ' ' GLU . . . -125.09 150.86 46.4 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.107 -0.497 . . . . 1.22 109.743 172.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.586 HD12 ' H ' ' A' ' 74' ' ' LEU . 0.0 OUTLIER -65.72 145.74 55.64 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 120.0 -0.68 . . . . 2.28 110.023 172.446 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 79.32 -1.61 75.35 Favored Glycine 0 N--CA 1.445 -0.702 0 CA-C-N 115.407 -0.815 . . . . 0.66 112.024 -171.473 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.57 ' HB3' ' O ' ' A' ' 73' ' ' ALA . 38.7 tt0 -101.1 148.16 25.39 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 121.272 0.558 . . . . 2.37 111.31 -176.251 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -122.71 119.73 31.55 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 114.947 -1.024 . . . . 1.4 109.316 -179.158 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 42.3 p90 -137.9 162.83 33.0 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.552 -0.294 . . . . 0.69 110.582 -175.359 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -94.76 141.31 28.77 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.492 -0.322 . . . . 2.38 110.149 176.039 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 46.0 t0 -172.72 172.82 4.06 Favored 'General case' 0 N--CA 1.466 0.334 0 N-CA-C 109.578 -0.527 . . . . 1.26 109.578 -177.082 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.507 ' HA ' ' O ' ' A' ' 86' ' ' THR . 38.0 tt0 -97.73 122.09 40.42 Favored 'General case' 0 CA--C 1.508 -0.64 0 CA-C-O 121.24 0.543 . . . . 2.26 109.883 179.662 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.475 ' HB3' ' OD1' ' A' ' 84' ' ' ASP . . . -92.88 -178.66 4.89 Favored 'General case' 0 C--N 1.311 -1.08 0 CA-C-N 114.946 -1.024 . . . . 1.61 111.793 178.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -57.35 -25.2 59.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.067 0.461 . . . . 1.98 110.635 -179.723 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.475 ' OD1' ' HB3' ' A' ' 82' ' ' ALA . 3.8 p30 -79.63 8.05 7.25 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.665 -0.698 . . . . 1.55 111.496 -178.548 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 50.2 m 75.71 -9.34 1.44 Allowed 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 114.928 1.455 . . . . 1.68 114.928 168.585 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.539 ' OG1' ' HD2' ' A' ' 88' ' ' HIS . 67.9 p -95.45 163.95 13.02 Favored 'General case' 0 C--O 1.241 0.634 0 CA-C-N 119.568 1.077 . . . . 1.5 111.332 177.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -103.9 93.52 4.92 Favored 'General case' 0 CA--C 1.511 -0.534 0 N-CA-C 107.502 -1.295 . . . . 1.88 107.502 -175.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . 0.595 ' CE1' ' HB3' ' A' ' 104' ' ' HIS . 11.2 p80 -130.77 178.78 6.39 Favored 'General case' 0 C--N 1.315 -0.93 0 C-N-CA 120.243 -0.583 . . . . 1.51 111.887 -167.197 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 26.7 ttpp -73.24 132.95 43.77 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 114.993 -1.003 . . . . 1.95 109.712 -178.562 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 62.1 mt -135.89 144.3 33.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.909 0 CA-C-N 116.164 -0.471 . . . . 1.19 109.996 -176.542 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 22.5 m -137.54 134.04 35.2 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.267 0.556 . . . . 1.12 111.505 -178.737 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.52 ' HA ' ' O ' ' A' ' 101' ' ' THR . 27.1 m-85 -110.73 150.21 29.39 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.272 -0.876 . . . . 0.81 108.672 175.389 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -159.34 133.36 7.53 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 120.967 0.413 . . . . 1.69 111.753 179.015 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -83.92 101.1 11.45 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 108.405 -0.961 . . . . 1.81 108.405 172.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.504 ' HG3' ' OD1' ' A' ' 96' ' ' ASP . 16.4 pttp -86.91 -40.63 14.66 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.324 -0.621 . . . . 3.48 109.324 -171.853 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.504 ' OD1' ' HG3' ' A' ' 95' ' ' LYS . 9.9 m-20 -131.27 159.74 70.27 Favored Pre-proline 0 C--N 1.324 -0.502 0 N-CA-C 107.34 -1.355 . . . . 1.79 107.34 172.555 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 11.0 Cg_exo -71.57 14.41 0.4 Allowed 'Trans proline' 0 C--O 1.233 0.258 0 C-N-CA 122.972 2.448 . . . . 1.07 112.693 -173.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . 0.431 ' H ' ' C ' ' A' ' 96' ' ' ASP . 9.3 p30 -145.05 16.12 1.54 Allowed 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.853 -0.612 . . . . 2.63 110.373 176.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.517 ' HA ' ' O ' ' A' ' 118' ' ' TYR . 32.5 m -152.06 115.08 4.67 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-O 121.38 0.61 . . . . 1.26 112.328 -179.653 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.537 ' HB3' ' HB2' ' A' ' 118' ' ' TYR . 20.3 tp -98.25 149.0 23.04 Favored 'General case' 0 C--O 1.22 -0.45 0 CA-C-N 114.925 -1.034 . . . . 1.78 109.47 175.044 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' THR . . . . . 0.52 ' O ' ' HA ' ' A' ' 92' ' ' PHE . 19.5 p -117.17 137.19 52.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 121.627 -0.67 . . . . 1.11 112.268 -179.4 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.516 ' O ' ' HA ' ' A' ' 115' ' ' THR . 2.5 tp10 -116.28 113.5 23.08 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.42 -0.809 . . . . 1.31 109.353 173.781 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 57.2 m -118.87 120.26 36.8 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.12 0.486 . . . . 1.12 111.037 -177.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . 0.595 ' HB3' ' CE1' ' A' ' 88' ' ' HIS . 24.9 m170 -99.11 120.09 38.91 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.929 -0.578 . . . . 2.22 110.42 -179.68 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.552 ' O ' ' HB2' ' A' ' 88' ' ' HIS . 11.1 mt -117.11 111.58 35.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 121.263 0.554 . . . . 1.36 110.695 175.031 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.515 ' HA ' ' CB ' ' A' ' 88' ' ' HIS . 96.7 mttt -69.21 137.83 53.53 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-N 115.2 -0.909 . . . . 2.12 112.389 -176.858 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.526 ' CG2' ' HA ' ' A' ' 88' ' ' HIS . 2.3 t -62.46 -37.3 78.43 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.502 0 CA-C-N 114.371 -1.286 . . . . 2.03 110.396 177.259 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 42.0 m-20 -78.14 -50.15 12.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.482 -0.781 . . . . 2.5 110.371 -176.003 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . 0.413 ' O ' ' HB2' ' A' ' 106' ' ' LYS . 14.1 t70 -134.02 95.38 17.08 Favored Pre-proline 0 C--N 1.326 -0.426 0 CA-C-O 121.308 0.575 . . . . 2.39 110.008 179.486 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 68.6 Cg_endo -73.72 1.84 6.53 Favored 'Trans proline' 0 C--N 1.33 -0.399 0 C-N-CA 123.379 2.719 . . . . 0.91 113.478 -177.741 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 33.9 p -97.07 -18.79 19.14 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 120.711 -0.396 . . . . 1.91 110.994 179.419 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -90.94 49.99 1.73 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.733 0.778 . . . . 1.59 109.679 176.093 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 13.5 m -67.74 171.94 0.81 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.532 0 CA-C-N 114.926 -1.034 . . . . 2.17 111.968 178.639 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -155.75 133.09 10.89 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-N 115.258 -0.883 . . . . 2.78 109.663 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' THR . . . . . 0.516 ' HA ' ' O ' ' A' ' 102' ' ' GLU . 85.2 m -130.77 128.49 40.87 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.347 0.594 . . . . 1.18 112.211 -174.153 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' TYR . . . . . 0.511 ' CE1' ' HE2' ' A' ' 129' ' ' MET . 4.8 m-85 -107.03 157.41 17.84 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.383 -1.34 . . . . 1.49 107.383 172.346 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . 0.482 ' O ' ' HA ' ' A' ' 127' ' ' MET . 46.5 mt-10 -131.61 122.85 26.72 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.041 -0.726 . . . . 1.53 109.041 177.814 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . 0.537 ' HB2' ' HB3' ' A' ' 100' ' ' LEU . 90.9 m-85 -92.19 94.92 9.44 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.277 -0.419 . . . . 1.0 110.079 -177.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 50.3 ttt180 -101.86 153.03 20.21 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.994 -0.548 . . . . 3.96 109.923 177.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . 0.492 ' HG3' ' HB3' ' A' ' 6' ' ' LYS . 6.1 mmm180 -106.07 135.74 46.99 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.729 -0.471 . . . . 2.25 109.729 172.728 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -148.65 110.96 4.67 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.662 -0.496 . . . . 1.08 109.662 175.505 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 71.3 -133.22 21.74 Favored Glycine 0 N--CA 1.445 -0.706 0 N-CA-C 110.85 -0.9 . . . . 1.04 110.85 -174.569 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -103.78 28.78 6.31 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.266 0.555 . . . . 2.31 109.84 175.637 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 86.9 m-85 -126.33 143.56 51.12 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 115.662 -0.699 . . . . 1.17 110.62 -178.433 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 40.4 tp -84.75 121.58 27.88 Favored 'General case' 0 N--CA 1.443 -0.796 0 N-CA-C 107.802 -1.185 . . . . 1.66 107.802 168.043 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 58.8 t -114.81 114.78 47.53 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.143 0 CA-C-O 121.244 0.545 . . . . 1.1 109.547 -174.686 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' MET . . . . . 0.482 ' HA ' ' O ' ' A' ' 117' ' ' GLU . 31.1 ttm -91.56 136.28 33.25 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-N 115.512 -0.767 . . . . 1.4 110.369 -178.564 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 15.9 tppt? -117.56 121.42 40.91 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 108.834 -0.802 . . . . 2.68 108.834 176.256 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' MET . . . . . 0.599 ' HE3' ' CE1' ' A' ' 22' ' ' TYR . 23.5 mtp -122.68 122.82 39.69 Favored 'General case' 0 C--N 1.316 -0.88 0 N-CA-C 108.155 -1.054 . . . . 1.66 108.155 178.434 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' SER . . . . . 0.565 ' HA ' ' O ' ' A' ' 134' ' ' VAL . 13.5 p -129.24 129.67 45.27 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.408 0.623 . . . . 1.5 112.01 -175.839 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' TRP . . . . . 0.496 ' CD1' ' HG2' ' A' ' 132' ' ' LYS . 34.7 t-105 -148.76 131.48 15.97 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 114.976 -1.011 . . . . 0.88 109.368 177.661 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . 0.496 ' HG2' ' CD1' ' A' ' 131' ' ' TRP . 75.5 mmtt 56.43 32.59 20.94 Favored 'General case' 0 C--N 1.327 -0.374 0 O-C-N 123.444 0.465 . . . . 2.42 111.146 -177.328 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 85.61 -13.2 56.88 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 121.095 -0.574 . . . . 0.53 112.758 -179.027 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . 0.565 ' O ' ' HA ' ' A' ' 130' ' ' SER . 13.1 t -80.41 109.23 14.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.541 0.17 . . . . 1.13 110.659 -177.742 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -98.13 133.29 42.78 Favored 'General case' 0 N--CA 1.444 -0.759 0 CA-C-O 121.088 0.47 . . . . 1.64 110.696 174.028 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' THR . . . . . 0.533 ' CG2' ' HB2' ' A' ' 129' ' ' MET . 5.2 t -121.45 134.99 55.09 Favored 'General case' 0 C--N 1.312 -1.047 0 CA-C-N 115.478 -0.783 . . . . 1.1 109.31 173.783 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' SER . . . . . 0.477 ' HA ' ' O ' ' A' ' 127' ' ' MET . 4.0 m -113.18 113.34 25.21 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.133 -0.485 . . . . 1.06 110.179 -177.845 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 38.1 mtp180 -98.97 122.76 42.66 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.464 -0.569 . . . . 2.41 109.464 178.038 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 92.6 m-85 -97.39 111.83 23.92 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.983 -0.553 . . . . 1.03 110.763 -174.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 81.7 m-85 -107.61 132.48 53.25 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.582 -0.735 . . . . 0.92 110.351 179.645 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 15.2 ptpt -104.87 168.82 8.81 Favored 'General case' 0 C--N 1.313 -0.983 0 N-CA-C 107.472 -1.307 . . . . 2.41 107.472 172.66 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . 0.456 ' O ' ' HG3' ' A' ' 12' ' ' LYS . 14.6 mmmm -59.62 178.78 0.14 Allowed 'General case' 0 C--N 1.317 -0.847 0 CA-C-O 121.884 0.85 . . . . 2.59 111.674 171.823 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . 0.535 ' HA ' HE21 ' A' ' 143' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.031 0 CA-C-N 115.377 -0.828 . . . . 1.74 109.551 159.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1001 ' ' OLA . . . . . 0.712 ' C1 ' ' HZ2' ' A' ' 43' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' -11' ' ' MET . . . . . . . . . . . . . 88.7 mtp . . . . . 0 N--CA 1.482 1.154 0 CA-C-O 120.849 0.357 . . . . 14.72 110.566 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' -10' ' ' ARG . . . . . . . . . . . . . 16.5 ptm180 -84.56 153.94 22.93 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.142 -0.481 . . . . 16.38 110.522 -179.742 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' -9' ' ' GLY . . . . . . . . . . . . . . . 139.95 33.43 0.15 Allowed Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 120.806 -0.712 . . . . 12.05 111.944 179.113 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' -8' ' ' SER . . . . . . . . . . . . . 49.8 m 56.15 45.66 22.94 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-O 121.4 0.619 . . . . 11.72 111.082 -178.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' -7' ' ' HIS . . . . . . . . . . . . . 39.1 m80 -80.78 87.27 5.88 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.656 -0.702 . . . . 12.39 110.922 -178.778 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' -6' ' ' HIS . . . . . . . . . . . . . 8.9 p-80 -144.0 76.47 1.51 Allowed 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.449 0.642 . . . . 11.6 110.933 177.185 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' -5' ' ' HIS . . . . . . . . . . . . . 24.2 m170 64.69 71.76 0.46 Allowed 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 115.234 -0.894 . . . . 9.98 111.598 175.004 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' -4' ' ' HIS . . . . . . . . . . . . . 7.5 m-70 -102.98 -56.87 2.14 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.936 -0.575 . . . . 11.3 110.518 174.472 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' -3' ' ' HIS . . . . . . . . . . . . . 34.5 m80 -108.08 15.12 24.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.115 -0.493 . . . . 9.34 110.594 178.244 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 18.4 t-80 -137.11 84.32 2.05 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.296 0.569 . . . . 7.77 110.254 -179.224 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -103.66 -29.65 5.52 Favored Glycine 0 N--CA 1.448 -0.534 0 CA-C-N 115.742 -0.663 . . . . 3.92 112.3 -179.615 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 39.0 m -101.88 125.34 48.53 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-O 120.951 0.405 . . . . 3.42 111.607 -177.382 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . 0.467 ' HD2' ' HB2' ' A' ' 94' ' ' LEU . 66.1 mttm -71.87 156.82 38.86 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 108.29 -1.004 . . . . 3.45 108.29 166.45 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -99.33 128.68 45.48 Favored 'General case' 0 C--N 1.31 -1.119 0 C-N-CA 120.652 -0.419 . . . . 1.44 110.019 177.793 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.543 ' HB2' ' CZ ' ' A' ' 56' ' ' TYR . 6.2 mt -59.21 126.06 80.61 Favored Pre-proline 0 C--N 1.327 -0.39 0 CA-C-N 115.898 -0.592 . . . . 1.33 111.872 -177.311 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -58.66 126.94 22.74 Favored 'Trans proline' 0 N--CA 1.456 -0.678 0 C-N-CA 122.468 2.112 . . . . 0.81 110.678 171.004 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.431 ' HA ' HD11 ' A' ' 8' ' ' LEU . 10.8 t70 -48.02 -29.41 3.47 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 115.454 -0.793 . . . . 2.19 111.991 178.57 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.516 ' O ' ' HD3' ' A' ' 120' ' ' ARG . 60.1 mttp -64.65 -17.91 64.47 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 113.018 0.747 . . . . 3.1 113.018 179.004 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -98.51 -0.8 42.63 Favored 'General case' 0 C--N 1.327 -0.397 0 O-C-N 121.51 -0.744 . . . . 0.74 110.22 177.701 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.431 HD11 ' HA ' ' A' ' 5' ' ' ASP . 88.1 mt -102.03 142.92 32.56 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.13 0.491 . . . . 1.12 111.603 -172.662 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 133.96 176.54 14.43 Favored Glycine 0 N--CA 1.446 -0.64 0 CA-C-N 115.428 -0.806 . . . . 0.52 112.051 -178.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.438 HG22 ' HG2' ' A' ' 44' ' ' LYS . 31.0 m -108.03 125.26 51.34 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.685 -0.487 . . . . 1.62 109.685 176.27 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 69.1 m-85 -116.22 132.71 56.59 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 112.797 0.665 . . . . 0.57 112.797 -171.337 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.504 ' HG3' ' HA ' ' A' ' 143' ' ' GLN . 48.2 mttp -70.54 -171.1 0.46 Allowed 'General case' 0 C--N 1.345 0.407 0 CA-C-O 121.222 0.534 . . . . 2.65 111.001 163.362 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.421 HD12 ' HB ' ' A' ' 41' ' ' VAL . 2.4 tt -137.83 111.81 8.4 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.574 -0.528 . . . . 1.79 109.574 -177.543 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -82.01 -51.99 7.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.521 0.201 . . . . 2.08 111.266 -179.418 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.403 HH11 ' HD2' ' A' ' 15' ' ' ARG . 17.6 ptt180 -161.16 179.6 8.25 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.915 0.388 . . . . 3.92 111.341 -174.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.404 ' HA ' ' HA ' ' A' ' 138' ' ' ARG . 3.5 p30 -146.53 164.33 32.92 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.791 -0.64 . . . . 1.19 109.964 178.685 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -142.53 130.11 21.37 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.68 -0.236 . . . . 2.66 110.943 -177.635 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.3 t30 62.63 21.84 12.95 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 115.762 -0.654 . . . . 0.97 111.446 173.482 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 32.6 t80 -76.99 -40.63 46.06 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.669 -0.696 . . . . 0.64 110.575 -174.68 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -59.48 -44.59 93.0 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.123 -0.49 . . . . 2.04 110.171 176.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.492 ' HA ' ' HE2' ' A' ' 24' ' ' LYS . 51.0 mm-40 -53.22 -43.87 67.6 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 115.776 -0.647 . . . . 1.79 110.638 175.056 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.409 ' CE1' ' HE1' ' A' ' 129' ' ' MET . 89.8 t80 -60.66 -36.88 79.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.917 -0.583 . . . . 1.12 111.312 178.677 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 61.7 mt -65.47 -39.0 91.45 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.811 0.339 . . . . 1.13 110.761 -177.266 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.492 ' HE2' ' HA ' ' A' ' 21' ' ' GLU . 53.8 mtmt -65.46 -43.05 91.54 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.196 0.522 . . . . 2.43 109.954 177.114 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.22 -42.01 85.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.384 -0.825 . . . . 1.2 111.448 178.014 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 16.1 mmm180 -75.41 -6.75 51.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.12 -0.491 . . . . 1.71 111.719 -179.315 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 87.25 20.95 51.04 Favored Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 120.636 -0.793 . . . . 0.62 112.703 175.479 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.4 ' HH ' H151 ' A' 1001 ' ' OLA . 58.7 m-85 -77.37 127.32 32.37 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.876 -0.416 . . . . 0.99 109.876 176.871 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -73.8 177.06 45.15 Favored Glycine 0 N--CA 1.444 -0.821 0 C-N-CA 120.858 -0.686 . . . . 1.54 111.894 -179.588 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 73.8 t90 -50.65 -43.6 57.27 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.206 0.447 . . . . 1.31 112.206 -175.628 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.512 ' H ' HD12 ' A' ' 31' ' ' ILE . 3.0 mp -57.02 -57.4 10.02 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.798 0 CA-C-O 121.479 0.656 . . . . 2.68 110.049 -175.346 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.416 ' O ' HG13 ' A' ' 36' ' ' ILE . 70.7 mmm -67.3 -27.8 67.47 Favored 'General case' 0 N--CA 1.429 -1.491 0 CA-C-N 114.867 -1.06 . . . . 1.16 110.388 -176.568 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.571 ' O ' ' HD2' ' A' ' 37' ' ' LYS . 33.8 ttp180 -78.4 6.7 7.85 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.303 -0.862 . . . . 2.48 110.46 -179.03 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 25.0 mm-40 -115.57 -21.85 9.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.841 -0.618 . . . . 2.4 110.192 171.69 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 98.2 t -90.24 -60.91 2.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 121.094 0.473 . . . . 1.33 111.382 -178.118 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.551 ' CG2' H182 ' A' 1001 ' ' OLA . 44.0 mt -47.83 -40.62 8.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 C-N-CA 124.018 0.927 . . . . 1.25 113.387 -178.347 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.571 ' HD2' ' O ' ' A' ' 33' ' ' ARG . 0.1 OUTLIER -97.83 23.77 7.6 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.885 0.374 . . . . 1.62 111.652 -178.821 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.47 ' C ' HD12 ' A' ' 38' ' ' LEU . 0.6 OUTLIER -122.68 -44.88 2.2 Favored 'General case' 0 N--CA 1.445 -0.702 0 N-CA-C 108.835 -0.802 . . . . 2.6 108.835 177.156 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -52.13 128.68 25.5 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 115.803 -0.635 . . . . 1.15 111.815 177.048 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.535 ' O ' ' HA ' ' A' ' 62' ' ' THR . . . -75.56 149.67 38.83 Favored Glycine 0 N--CA 1.444 -0.779 0 N-CA-C 110.873 -0.891 . . . . 0.84 110.873 173.646 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.421 ' HB ' HD12 ' A' ' 13' ' ' LEU . 12.2 t -125.72 131.74 71.62 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-O 121.013 0.435 . . . . 1.88 111.251 -174.125 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 49.1 m -111.46 111.33 22.28 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.593 -0.73 . . . . 1.13 110.026 173.145 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 38.0 mmtm -85.5 134.88 34.02 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.592 -0.276 . . . . 1.45 110.258 178.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.454 ' HB2' ' HB3' ' A' ' 59' ' ' GLU . 98.5 mttt -130.4 118.55 21.37 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.627 0.251 . . . . 2.46 110.583 178.225 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.425 ' HB3' HD22 ' A' ' 8' ' ' LEU . 86.9 m-85 -122.94 126.54 47.43 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 109.347 -0.612 . . . . 0.63 109.347 173.623 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.443 ' HG3' ' HB3' ' A' ' 57' ' ' ASP . 2.8 ptm180 -156.13 166.14 34.35 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 120.895 0.379 . . . . 3.72 110.96 -175.208 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.409 ' HA ' ' CD2' ' A' ' 56' ' ' TYR . 19.0 m120 -62.64 154.7 28.34 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 108.987 -0.745 . . . . 1.9 108.987 172.354 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.418 ' HB3' ' OD1' ' A' ' 71' ' ' ASP . . . -58.01 141.36 50.02 Favored 'General case' 0 CA--C 1.518 -0.28 0 CA-C-O 121.372 0.606 . . . . 1.18 110.905 -177.041 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.4 -35.62 81.5 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 114.92 -1.036 . . . . 1.94 111.7 -171.524 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 42.1 p -75.56 9.23 2.33 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.138 0.421 . . . . 2.82 112.138 176.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 63.33 29.87 75.82 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 121.004 -0.617 . . . . 1.96 112.531 -179.063 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 6.1 tmtt? -84.96 114.39 55.48 Favored Pre-proline 0 C--N 1.322 -0.594 0 N-CA-C 110.026 -0.361 . . . . 3.54 110.026 -177.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.461 ' O ' ' HB2' ' A' ' 54' ' ' ASP . 88.3 Cg_exo -51.69 140.8 45.64 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 123.122 2.548 . . . . 2.1 113.228 179.284 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.461 ' HB2' ' O ' ' A' ' 53' ' ' PRO . 29.9 m-20 82.3 -48.92 0.2 Allowed 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 114.769 -1.105 . . . . 2.44 110.436 177.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 55.3 mtp180 -66.71 145.44 55.54 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.313 0.578 . . . . 4.72 111.653 175.318 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.543 ' CZ ' ' HB2' ' A' ' 3' ' ' LEU . 76.5 m-85 -124.74 -178.86 4.29 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.6 -0.727 . . . . 1.39 110.252 178.574 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.63 ' OD2' ' HA ' ' A' ' 70' ' ' LYS . 14.1 t70 -136.87 136.87 39.08 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 108.511 -0.922 . . . . 1.1 108.511 177.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 1.5 tmt? -140.12 140.4 36.01 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 110.024 -0.361 . . . . 1.22 110.024 -174.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.483 ' HG3' ' O ' ' A' ' 67' ' ' THR . 41.2 tt0 -142.08 147.37 36.67 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.092 0.472 . . . . 1.77 111.79 -173.335 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.603 ' HB2' ' OG1' ' A' ' 67' ' ' THR . 48.3 m-80 -127.64 106.8 9.4 Favored 'General case' 0 CA--C 1.516 -0.342 0 CA-C-N 115.659 -0.7 . . . . 1.55 109.328 175.862 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 65.4 tp -103.76 127.5 51.23 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 109.955 -0.387 . . . . 2.22 109.955 177.193 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.535 ' HA ' ' O ' ' A' ' 40' ' ' GLY . 71.1 p -128.32 -177.85 4.32 Favored 'General case' 0 N--CA 1.443 -0.776 0 N-CA-C 109.626 -0.509 . . . . 1.16 109.626 -178.88 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 30.4 p -80.83 -30.54 35.74 Favored 'General case' 0 C--N 1.313 -1.0 0 CA-C-O 121.394 0.616 . . . . 1.14 110.461 179.204 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 53.3 tptt -101.73 -22.55 14.38 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.462 -0.79 . . . . 2.64 111.38 -174.414 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.456 ' HD2' ' HA ' ' A' ' 65' ' ' LYS . 8.2 mmmt -139.5 -155.64 0.61 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.099 0.476 . . . . 2.34 112.267 -174.845 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 171.96 130.53 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 114.787 -1.097 . . . . 2.12 108.763 -166.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.603 ' OG1' ' HB2' ' A' ' 60' ' ' ASN . 59.5 p -147.4 143.62 28.09 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 109.366 -0.605 . . . . 1.17 109.366 178.158 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 9.4 t-160 -143.67 99.87 3.49 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.288 0.566 . . . . 2.5 110.203 -177.756 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 21.4 m-70 -78.53 83.47 4.72 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 108.696 -0.853 . . . . 0.48 108.696 176.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.63 ' HA ' ' OD2' ' A' ' 57' ' ' ASP . 7.7 ptpp? -75.07 117.78 17.29 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.752 -0.658 . . . . 2.79 112.193 -174.763 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.418 ' OD1' ' HB3' ' A' ' 48' ' ' ALA . 9.9 m-20 52.87 81.52 0.08 Allowed 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 115.263 -0.88 . . . . 2.07 111.95 174.337 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 66.0 p-90 -118.31 146.06 44.62 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.944 -0.571 . . . . 0.51 110.117 177.434 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -96.16 143.71 27.04 Favored 'General case' 0 C--N 1.321 -0.66 0 O-C-N 122.286 -0.259 . . . . 1.22 110.816 178.675 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.424 ' HG ' ' O ' ' A' ' 1' ' ' LYS . 0.1 OUTLIER -50.31 114.11 1.04 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.379 -0.373 . . . . 2.28 110.81 171.202 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 91.79 21.75 32.9 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 121.207 -0.52 . . . . 0.66 112.434 -178.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -110.32 125.22 52.93 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.298 0.57 . . . . 2.37 111.217 -176.007 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -90.31 115.68 27.7 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.226 -0.897 . . . . 1.4 109.077 171.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 41.6 p90 -129.02 150.05 50.59 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.261 -0.427 . . . . 0.69 110.659 -175.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -85.34 142.85 29.03 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.577 -0.527 . . . . 2.38 109.577 176.274 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 38.6 t0 -164.97 171.22 14.27 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 109.311 -0.626 . . . . 1.26 109.311 -174.575 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.513 ' HA ' ' O ' ' A' ' 86' ' ' THR . 35.3 tt0 -99.09 111.67 24.01 Favored 'General case' 0 CA--C 1.504 -0.802 0 N-CA-C 108.495 -0.928 . . . . 2.26 108.495 175.024 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.626 ' HB1' ' OD1' ' A' ' 84' ' ' ASP . . . -90.62 -178.68 5.36 Favored 'General case' 0 C--N 1.308 -1.204 0 CA-C-N 115.249 -0.887 . . . . 1.61 111.839 -176.476 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.464 ' H ' HD21 ' A' ' 83' ' ' LEU . 2.9 mm? -56.16 -30.28 61.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.982 0.42 . . . . 1.98 110.478 -177.879 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.626 ' OD1' ' HB1' ' A' ' 82' ' ' ALA . 17.7 p-10 -77.71 11.38 2.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.889 -0.596 . . . . 1.55 111.134 -178.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 15.7 m 65.54 15.35 9.99 Favored 'General case' 0 N--CA 1.465 0.302 0 N-CA-C 113.8 1.037 . . . . 1.68 113.8 166.57 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.513 ' O ' ' HA ' ' A' ' 81' ' ' GLU . 12.4 p -113.48 166.31 11.62 Favored 'General case' 0 C--N 1.319 -0.756 0 C-N-CA 120.737 -0.385 . . . . 1.5 110.475 175.853 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 5.8 mm-40 -102.34 99.11 9.15 Favored 'General case' 0 CA--C 1.511 -0.553 0 N-CA-C 107.789 -1.189 . . . . 1.88 107.789 -178.367 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . 0.495 ' CB ' ' HA ' ' A' ' 106' ' ' LYS . 23.9 p80 -138.46 172.18 13.27 Favored 'General case' 0 C--N 1.314 -0.957 0 C-N-CA 120.43 -0.508 . . . . 1.51 110.876 -173.108 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 43.6 mtmt -73.76 149.37 41.8 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.935 -0.575 . . . . 1.95 110.324 -178.521 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.439 HD11 ' HB2' ' A' ' 82' ' ' ALA . 72.0 mt -147.0 128.67 6.52 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.876 0 CA-C-N 115.473 -0.785 . . . . 1.19 109.785 179.578 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 24.7 m -105.93 130.32 53.9 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-O 120.877 0.37 . . . . 1.12 110.832 179.104 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.473 ' CE1' ' HG3' ' A' ' 102' ' ' GLU . 1.8 m-85 -112.86 124.52 52.78 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 108.79 -0.818 . . . . 0.81 108.79 174.08 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -163.33 164.35 24.85 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 120.846 0.355 . . . . 1.69 110.089 -177.05 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.467 ' HB2' ' HD2' ' A' ' 1' ' ' LYS . 2.7 mm? -100.85 111.1 23.24 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 109.519 -0.548 . . . . 1.81 109.519 179.769 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 46.3 tptt -77.56 -41.06 40.3 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 108.557 -0.905 . . . . 3.48 108.557 -175.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 -134.65 162.51 57.28 Favored Pre-proline 0 C--N 1.322 -0.597 0 CA-C-N 114.483 -1.235 . . . . 1.79 107.793 174.014 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_exo -68.68 5.55 1.27 Allowed 'Trans proline' 0 CA--C 1.529 0.267 0 C-N-CA 123.046 2.497 . . . . 1.07 112.504 -178.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 19.0 m120 -136.34 13.52 3.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.125 -0.488 . . . . 2.63 110.532 175.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 28.2 m -145.18 112.65 6.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.047 0.451 . . . . 1.26 111.82 -176.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.554 HD23 ' N ' ' A' ' 101' ' ' THR . 2.8 tt -91.85 134.75 34.48 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.873 -1.158 . . . . 1.78 107.873 175.496 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' THR . . . . . 0.554 ' N ' HD23 ' A' ' 100' ' ' LEU . 5.7 p -117.03 131.99 56.81 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 118.798 0.726 . . . . 1.11 112.03 -179.598 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.487 ' CD ' ' HE2' ' A' ' 104' ' ' HIS . 32.9 tt0 -112.67 105.46 13.63 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.321 -0.854 . . . . 1.31 109.121 174.523 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 27.0 m -101.58 115.69 31.09 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 120.786 0.327 . . . . 1.12 110.785 -177.394 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . 0.487 ' HE2' ' CD ' ' A' ' 102' ' ' GLU . 30.8 m170 -89.88 114.37 26.13 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.345 -0.389 . . . . 2.22 110.125 177.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.471 ' O ' ' HB2' ' A' ' 88' ' ' HIS . 11.1 mt -108.28 104.22 16.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 121.256 0.55 . . . . 1.36 110.537 175.235 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.495 ' HA ' ' CB ' ' A' ' 88' ' ' HIS . 56.8 mttm -59.17 119.13 6.76 Favored 'General case' 0 C--N 1.313 -1.014 0 CA-C-N 115.178 -0.919 . . . . 2.12 110.682 176.527 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 12.2 m -63.29 -22.92 31.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.274 -0.875 . . . . 2.03 110.878 178.548 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -80.37 -45.32 17.94 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.433 -0.803 . . . . 2.5 110.295 178.305 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -140.33 90.84 10.08 Favored Pre-proline 0 C--N 1.325 -0.499 0 CA-C-O 121.426 0.632 . . . . 2.39 109.765 179.378 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -72.78 -0.45 8.95 Favored 'Trans proline' 0 N--CA 1.464 -0.249 0 C-N-CA 123.359 2.706 . . . . 0.91 113.448 -175.492 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 36.4 p -93.93 -12.64 28.36 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.145 0.498 . . . . 1.91 110.863 178.221 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -100.79 54.71 0.86 Allowed 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.493 0.663 . . . . 1.59 109.914 176.116 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 8.3 m -71.64 161.03 4.96 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.607 0 CA-C-N 115.346 -0.843 . . . . 2.17 112.274 178.677 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -144.72 131.16 19.77 Favored 'General case' 0 C--N 1.313 -1.013 0 CA-C-N 114.669 -1.15 . . . . 2.78 108.95 178.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' THR . . . . . 0.56 ' O ' ' HG3' ' A' ' 129' ' ' MET . 39.7 m -123.72 118.62 27.64 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.328 0.585 . . . . 1.18 111.532 -171.72 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' TYR . . . . . 0.42 ' CD1' ' N ' ' A' ' 116' ' ' TYR . 2.1 m-85 -99.49 148.34 24.35 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 107.169 -1.419 . . . . 1.49 107.169 177.86 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . 0.465 ' HG2' HG23 ' A' ' 101' ' ' THR . 23.7 mt-10 -137.26 125.04 22.46 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 119.053 0.842 . . . . 1.53 108.809 -172.154 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . 0.464 ' HB2' ' HB3' ' A' ' 100' ' ' LEU . 53.0 m-85 -103.64 119.99 40.01 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.045 0.45 . . . . 1.0 111.267 -174.768 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 82.4 mtm180 -123.89 153.83 40.58 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.441 -0.8 . . . . 3.96 109.303 176.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . 0.516 ' HD3' ' O ' ' A' ' 6' ' ' LYS . 9.0 tpt180 -111.35 129.93 55.84 Favored 'General case' 0 C--N 1.32 -0.677 0 C-N-CA 120.774 -0.371 . . . . 2.25 110.487 178.633 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -124.76 90.6 3.28 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.504 -0.554 . . . . 1.08 109.504 175.584 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 66.63 -106.41 1.62 Allowed Glycine 0 N--CA 1.445 -0.706 0 CA-C-N 115.559 -0.746 . . . . 1.04 111.769 -177.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . 0.509 ' HA ' HH21 ' A' ' 120' ' ' ARG . 8.4 p-10 -103.0 -1.59 29.02 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 120.677 0.275 . . . . 2.31 111.08 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -102.15 134.81 44.82 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.584 -0.28 . . . . 1.17 111.248 -177.361 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.433 ' HB3' ' HB2' ' A' ' 140' ' ' TYR . 3.4 tm? -85.59 112.05 20.61 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 107.051 -1.463 . . . . 1.66 107.051 168.365 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 58.8 t -98.25 103.31 14.54 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 CA-C-O 121.459 0.647 . . . . 1.1 110.092 -171.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' MET . . . . . 0.583 ' O ' ' HA ' ' A' ' 137' ' ' SER . 9.5 tpt -70.38 129.33 39.0 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-N 114.619 -1.173 . . . . 1.4 109.603 179.44 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 23.9 tptm -126.93 136.19 51.95 Favored 'General case' 0 C--N 1.315 -0.916 0 N-CA-C 109.193 -0.669 . . . . 2.68 109.193 178.462 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' MET . . . . . 0.56 ' HG3' ' O ' ' A' ' 115' ' ' THR . 20.8 ttp -160.74 140.73 11.1 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 109.107 -0.701 . . . . 1.66 109.107 178.309 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 20.9 t -142.95 147.79 35.8 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.442 0.639 . . . . 1.5 111.535 -176.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' TRP . . . . . . . . . . . . . 61.7 t-105 -154.72 133.98 12.5 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 114.843 -1.072 . . . . 0.88 109.488 176.651 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 11.8 ttmm 56.58 37.49 28.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 123.645 0.591 . . . . 2.42 111.536 178.686 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 82.34 -17.91 16.6 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 121.096 -0.574 . . . . 0.53 112.655 -179.299 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 25.5 t -79.5 112.64 17.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 N-CA-C 110.145 -0.317 . . . . 1.13 110.145 -179.008 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -105.51 135.3 47.16 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 121.176 0.512 . . . . 1.64 111.407 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 7.2 t -127.2 152.82 46.86 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 115.782 -0.644 . . . . 1.1 110.476 178.615 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' SER . . . . . 0.583 ' HA ' ' O ' ' A' ' 127' ' ' MET . 52.4 m -142.98 130.4 21.09 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.146 -0.479 . . . . 1.06 110.665 176.485 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . 0.404 ' HA ' ' HA ' ' A' ' 16' ' ' ASP . 25.5 mtt180 -99.84 149.41 23.41 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.336 -0.616 . . . . 2.41 109.336 171.317 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 95.7 m-85 -109.09 100.62 9.76 Favored 'General case' 0 C--N 1.313 -0.996 0 N-CA-C 109.448 -0.575 . . . . 1.03 109.448 177.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' TYR . . . . . 0.433 ' HB2' ' HB3' ' A' ' 125' ' ' LEU . 51.6 m-85 -92.04 126.23 37.04 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.257 -0.883 . . . . 0.92 110.52 -175.266 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . 0.425 ' O ' ' N ' ' A' ' 12' ' ' LYS . 4.0 tppp? -89.35 155.79 19.12 Favored 'General case' 0 C--O 1.206 -1.201 0 N-CA-C 107.563 -1.273 . . . . 2.41 107.563 177.892 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -58.4 161.46 4.41 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 118.946 0.794 . . . . 2.59 109.95 166.566 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . 0.504 ' HA ' ' HG3' ' A' ' 12' ' ' LYS . 69.6 mm-40 . . . . . 0 C--O 1.246 0.87 0 O-C-N 121.491 -0.756 . . . . 1.74 112.014 167.747 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1001 ' ' OLA . . . . . 0.551 H182 ' CG2' ' A' ' 36' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' -11' ' ' MET . . . . . . . . . . . . . 66.3 mtm . . . . . 0 N--CA 1.481 1.08 0 CA-C-O 120.751 0.31 . . . . 14.72 110.415 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' -10' ' ' ARG . . . . . . . . . . . . . 82.2 mtm180 -121.0 108.09 13.44 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.754 -0.462 . . . . 16.38 109.754 -179.523 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' -9' ' ' GLY . . . . . . . . . . . . . . . -63.17 -43.52 98.51 Favored Glycine 0 N--CA 1.45 -0.43 0 N-CA-C 111.556 -0.617 . . . . 12.05 111.556 178.313 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' -8' ' ' SER . . . . . 0.478 ' HA ' ' CD2' ' A' ' -5' ' ' HIS . 66.1 m 58.26 47.92 13.41 Favored 'General case' 0 C--N 1.33 -0.269 0 O-C-N 123.966 0.451 . . . . 11.72 111.735 176.327 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' -7' ' ' HIS . . . . . . . . . . . . . 14.6 p-80 -69.4 -30.68 68.71 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.743 -0.466 . . . . 12.39 109.743 175.316 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' -6' ' ' HIS . . . . . . . . . . . . . 23.1 p-80 175.59 115.41 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 115.465 -0.789 . . . . 11.6 109.665 168.64 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' -5' ' ' HIS . . . . . 0.478 ' CD2' ' HA ' ' A' ' -8' ' ' SER . 1.8 p80 -164.42 98.33 0.8 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.386 0.613 . . . . 9.98 110.443 176.508 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' -4' ' ' HIS . . . . . . . . . . . . . 27.0 t-80 -98.75 -51.97 3.74 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.921 -0.581 . . . . 11.3 109.778 178.525 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' -3' ' ' HIS . . . . . . . . . . . . . 94.7 m-70 -74.92 -27.33 60.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.193 0.52 . . . . 9.34 110.036 178.652 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 62.0 m-70 -104.38 28.26 7.07 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.32 -0.622 . . . . 7.77 109.32 171.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' -1' ' ' GLY . . . . . 0.446 ' HA3' ' O ' ' A' ' -5' ' ' HIS . . . -145.93 35.96 1.35 Allowed Glycine 0 N--CA 1.445 -0.727 0 CA-C-N 115.747 -0.661 . . . . 3.92 111.557 179.294 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 19.5 m -77.86 126.0 30.19 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.717 -0.475 . . . . 3.42 109.717 178.496 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . 0.676 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 83.6 mttt -70.24 94.29 0.9 Allowed 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.966 -0.561 . . . . 3.45 110.125 -178.776 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 17.1 m -62.4 146.02 52.45 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.199 -0.455 . . . . 1.44 109.968 -174.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.736 ' HB2' ' CE1' ' A' ' 56' ' ' TYR . 3.2 mt -58.04 121.39 50.43 Favored Pre-proline 0 CA--C 1.516 -0.334 0 CA-C-O 120.696 0.284 . . . . 1.33 111.106 -177.372 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -73.79 140.11 28.61 Favored 'Trans proline' 0 N--CA 1.453 -0.873 0 C-N-CA 122.555 2.17 . . . . 0.81 110.811 173.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.421 ' HA ' HD13 ' A' ' 8' ' ' LEU . 5.8 p-10 -51.44 -24.39 4.93 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 115.289 -0.869 . . . . 2.19 112.646 -176.262 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.536 ' HD2' ' H ' ' A' ' 6' ' ' LYS . 3.3 mptp? -58.22 -29.86 66.05 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.26 0.467 . . . . 3.1 112.26 -179.643 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 35.1 m-85 -92.25 -1.9 56.81 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.46 -0.496 . . . . 0.74 111.416 -178.454 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.421 HD13 ' HA ' ' A' ' 5' ' ' ASP . 98.8 mt -96.36 150.77 20.21 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.401 0.62 . . . . 1.12 112.029 -170.306 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 125.34 164.83 11.94 Favored Glycine 0 N--CA 1.442 -0.915 0 CA-C-N 114.876 -1.056 . . . . 0.52 111.437 -177.756 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 91.3 m -91.5 123.75 35.15 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 109.385 -0.598 . . . . 1.62 109.385 174.457 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 74.0 m-85 -116.51 129.58 56.28 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.404 -0.362 . . . . 0.57 111.234 -175.549 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.554 ' HB3' ' CD ' ' A' ' 143' ' ' GLN . 13.2 ptmm? -91.19 134.4 34.58 Favored 'General case' 0 C--O 1.234 0.289 0 C-N-CA 120.052 -0.659 . . . . 2.65 110.355 172.47 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.6 tt -58.38 124.93 21.21 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 108.981 -0.748 . . . . 1.79 108.981 172.482 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -101.68 -45.29 5.3 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.96 0.41 . . . . 2.08 110.511 -178.482 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 8.4 ptp180 -158.65 176.73 12.02 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.118 -0.492 . . . . 3.92 109.947 -178.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.412 ' HA ' ' HA ' ' A' ' 138' ' ' ARG . 6.8 p30 -148.49 165.65 30.53 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.981 0.42 . . . . 1.19 111.401 178.115 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -146.28 124.31 12.09 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.646 -0.706 . . . . 2.66 110.776 -174.737 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 57.6 t30 69.89 23.12 5.64 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-O 121.632 0.729 . . . . 0.97 111.019 174.606 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 26.0 t80 -76.72 -37.19 56.49 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.662 -0.699 . . . . 0.64 110.99 -174.226 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -60.02 -47.12 87.14 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 110.3 -0.259 . . . . 2.04 110.3 177.36 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -55.27 -42.75 73.95 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 116.395 -0.366 . . . . 1.79 111.269 176.314 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.517 ' CE1' ' HE1' ' A' ' 129' ' ' MET . 80.7 t80 -59.46 -40.81 88.08 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.268 -0.424 . . . . 1.12 110.67 176.176 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.448 HD12 ' HA ' ' A' ' 33' ' ' ARG . 84.9 mt -67.14 -38.1 84.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.914 0.388 . . . . 1.13 110.586 -177.679 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 25.8 mtpp -61.34 -51.08 70.34 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.969 -0.56 . . . . 2.43 109.944 176.494 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.35 -38.9 88.63 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.134 -0.939 . . . . 1.2 110.929 178.41 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 13.0 tpt180 -71.55 -9.03 57.59 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.073 -0.512 . . . . 1.71 111.233 -177.05 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 99.67 30.38 6.52 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.518 -0.849 . . . . 0.62 113.58 173.42 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 71.5 m-85 -107.45 117.03 33.03 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.283 0.563 . . . . 0.99 109.995 176.068 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -65.84 -64.06 3.65 Favored Glycine 0 C--O 1.228 -0.275 0 CA-C-N 114.746 -1.116 . . . . 1.54 114.078 -173.066 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 86.1 t90 -156.89 -60.17 0.09 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 117.316 0.558 . . . . 1.31 111.306 -177.534 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 1.1 mm -51.63 -50.63 29.95 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.202 0 CA-C-O 120.977 0.418 . . . . 2.68 111.748 -178.217 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.645 ' O ' HG13 ' A' ' 36' ' ' ILE . 63.9 mmm -57.99 -38.99 77.12 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.843 -0.617 . . . . 1.16 111.462 179.227 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.613 ' O ' ' HG2' ' A' ' 37' ' ' LYS . 11.5 mtm180 -63.5 -26.56 68.77 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.974 0.416 . . . . 2.48 110.081 -179.64 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -77.89 -22.06 50.32 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.819 -0.628 . . . . 2.4 110.455 -179.645 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.409 ' CG1' ' HG3' ' A' ' 64' ' ' LYS . 50.8 t -89.69 -65.16 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-O 121.205 0.526 . . . . 1.33 110.69 176.144 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.645 HG13 ' O ' ' A' ' 32' ' ' MET . 26.4 mt -46.35 -49.91 5.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 N-CA-C 114.819 1.414 . . . . 1.25 114.819 -172.593 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.613 ' HG2' ' O ' ' A' ' 33' ' ' ARG . 46.6 pttt -82.53 -3.13 55.43 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 119.554 -0.858 . . . . 1.62 111.842 -174.279 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.45 HD22 ' HG3' ' A' ' 37' ' ' LYS . 4.6 mm? -96.25 -5.56 40.03 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.926 0.393 . . . . 2.6 110.512 178.245 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -81.16 108.23 14.64 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.117 -0.492 . . . . 1.15 111.122 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -82.18 61.26 4.72 Favored Glycine 0 N--CA 1.45 -0.39 0 CA-C-N 116.006 -0.543 . . . . 0.84 112.202 179.342 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.561 ' HB ' HG21 ' A' ' 62' ' ' THR . 2.7 p -53.53 144.68 4.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 N-CA-C 113.684 0.994 . . . . 1.88 113.684 179.224 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 37.8 m -117.09 127.89 54.59 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 114.568 -1.196 . . . . 1.13 108.905 176.074 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.493 ' HE2' ' SD ' ' A' ' 127' ' ' MET . 48.4 mttp -104.14 139.83 38.66 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.792 0.329 . . . . 1.45 110.83 -176.613 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.657 ' O ' ' HA ' ' A' ' 58' ' ' MET . 57.7 mtpt -125.34 106.71 10.04 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.145 -0.479 . . . . 2.46 111.292 -175.695 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.515 ' HZ ' ' CD1' ' A' ' 118' ' ' TYR . 56.6 m-85 -101.25 118.43 36.97 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.587 -0.523 . . . . 0.63 109.587 175.406 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 9.9 ptm180 -151.45 172.26 16.25 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 120.603 0.24 . . . . 3.72 111.229 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.476 ' HA ' ' CD2' ' A' ' 56' ' ' TYR . 33.1 m-80 -58.62 159.69 6.32 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.558 -0.746 . . . . 1.9 109.628 172.166 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.12 151.87 11.55 Favored 'General case' 0 CA--C 1.519 -0.219 0 N-CA-C 112.426 0.528 . . . . 1.18 112.426 -172.689 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -50.38 -60.46 2.97 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.711 -0.677 . . . . 1.94 110.984 -179.588 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 74.0 m -77.98 21.45 0.32 Allowed 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 112.965 0.728 . . . . 2.82 112.965 -178.166 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 62.04 37.53 94.59 Favored Glycine 0 CA--C 1.518 0.278 0 C-N-CA 121.115 -0.564 . . . . 1.96 113.815 176.59 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 5.8 mptp? -84.2 133.91 44.35 Favored Pre-proline 0 C--N 1.324 -0.531 0 N-CA-C 109.91 -0.404 . . . . 3.54 109.91 177.287 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.421 ' O ' ' HB2' ' A' ' 54' ' ' ASP . 67.5 Cg_endo -71.45 140.63 36.92 Favored 'Trans proline' 0 C--O 1.238 0.506 0 C-N-CA 122.605 2.203 . . . . 2.1 112.559 -178.439 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.421 ' HB2' ' O ' ' A' ' 53' ' ' PRO . 21.6 m-20 76.09 -38.86 0.35 Allowed 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 123.882 0.873 . . . . 2.44 110.857 179.452 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.401 ' HG2' ' HB1' ' A' ' 73' ' ' ALA . 60.8 mtp85 -72.3 143.03 48.85 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.254 0.549 . . . . 4.72 110.766 170.691 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.736 ' CE1' ' HB2' ' A' ' 3' ' ' LEU . 78.3 m-85 -128.92 -177.64 4.29 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.95 -0.568 . . . . 1.39 110.937 -177.132 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.425 ' OD2' ' HA ' ' A' ' 70' ' ' LYS . 11.0 t70 -137.58 143.09 41.35 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.042 -0.725 . . . . 1.1 109.042 -177.848 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.657 ' HA ' ' O ' ' A' ' 44' ' ' LYS . 1.3 tmm? -144.88 124.27 13.08 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.93 0.395 . . . . 1.22 110.815 -177.737 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -116.06 152.89 32.7 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.182 0.515 . . . . 1.77 111.986 -179.464 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.496 ' HB2' ' OG1' ' A' ' 67' ' ' THR . 49.2 m-80 -126.25 91.64 3.41 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.273 -0.876 . . . . 1.55 109.222 174.205 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.475 ' O ' ' HA ' ' A' ' 41' ' ' VAL . 3.8 mm? -85.61 111.7 20.31 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 109.653 -0.499 . . . . 2.22 109.653 179.549 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.561 HG21 ' HB ' ' A' ' 41' ' ' VAL . 3.8 p -116.69 -167.6 1.32 Allowed 'General case' 0 N--CA 1.443 -0.781 0 N-CA-C 109.882 -0.414 . . . . 1.16 109.882 -175.407 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 80.6 p -97.08 -31.86 12.27 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-O 120.989 0.423 . . . . 1.14 110.947 -176.606 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.409 ' HG3' ' CG1' ' A' ' 35' ' ' VAL . 48.6 mmtm -112.95 2.84 15.97 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.08 -0.509 . . . . 2.64 110.877 -177.595 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.451 ' O ' ' HB3' ' A' ' 66' ' ' ASP . 5.4 mmtt -153.68 -153.31 0.46 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.157 -0.474 . . . . 2.34 110.438 -176.571 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.451 ' HB3' ' O ' ' A' ' 65' ' ' LYS . 5.6 p-10 160.58 126.3 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 114.754 -1.112 . . . . 2.12 108.416 -174.018 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.496 ' OG1' ' HB2' ' A' ' 60' ' ' ASN . 67.6 p -133.4 152.22 51.9 Favored 'General case' 0 C--N 1.314 -0.955 0 N-CA-C 109.74 -0.467 . . . . 1.17 109.74 178.676 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 9.6 t-160 -140.44 98.27 3.39 Favored 'General case' 0 C--N 1.317 -0.832 0 N-CA-C 109.859 -0.423 . . . . 2.5 109.859 -177.168 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 14.8 m-70 -73.74 83.51 1.62 Allowed 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 108.03 -1.1 . . . . 0.48 108.03 173.374 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.45 ' H ' ' HG2' ' A' ' 70' ' ' LYS . 10.5 ptpt -82.38 109.95 17.09 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.605 -0.725 . . . . 2.79 112.451 -172.009 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 7.0 t70 63.69 75.27 0.39 Allowed 'General case' 0 C--O 1.238 0.47 0 CA-C-N 114.69 -1.141 . . . . 2.07 111.395 173.604 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 69.4 p-90 -118.91 158.32 25.94 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.61 -0.723 . . . . 0.51 110.275 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.511 ' O ' ' HB3' ' A' ' 76' ' ' GLU . . . -120.04 149.14 42.66 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 110.148 -0.316 . . . . 1.22 110.148 174.642 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.676 ' HG ' ' O ' ' A' ' 1' ' ' LYS . 0.0 OUTLIER -64.79 144.11 57.48 Favored 'General case' 0 C--N 1.32 -0.707 0 C-N-CA 119.918 -0.713 . . . . 2.28 109.534 168.73 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 79.91 1.85 87.85 Favored Glycine 0 C--N 1.314 -0.676 0 CA-C-N 115.335 -0.848 . . . . 0.66 111.841 -171.056 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.511 ' HB3' ' O ' ' A' ' 73' ' ' ALA . 8.7 tp10 -106.3 153.25 22.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.402 0.62 . . . . 2.37 110.933 -176.332 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -125.54 108.97 12.12 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 114.768 -1.105 . . . . 1.4 108.413 -179.547 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 47.9 p90 -119.01 156.31 29.86 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-O 120.857 0.36 . . . . 0.69 111.001 -173.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 -91.8 139.28 30.82 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.226 -0.657 . . . . 2.38 109.226 175.039 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 43.2 t0 -165.28 167.69 17.68 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.112 -0.699 . . . . 1.26 109.112 -175.5 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.416 ' HA ' ' HA ' ' A' ' 87' ' ' GLN . 39.6 tt0 -103.15 113.81 27.59 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.006 -0.738 . . . . 2.26 109.006 178.81 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -85.24 175.69 8.79 Favored 'General case' 0 C--N 1.311 -1.084 0 CA-C-N 114.954 -1.021 . . . . 1.61 111.882 -174.596 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.4 HD21 HG22 ' A' ' 67' ' ' THR . 68.1 mt -63.93 -17.7 63.5 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.774 -0.648 . . . . 1.98 110.999 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.543 ' HA ' H142 ' A' 1001 ' ' OLA . 2.6 p30 -74.33 7.9 2.55 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.371 -0.831 . . . . 1.55 112.312 -179.717 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 48.2 t 75.83 -2.33 2.79 Favored 'General case' 0 N--CA 1.467 0.407 0 N-CA-C 112.539 0.57 . . . . 1.68 112.539 172.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 13.6 p -119.56 165.52 14.32 Favored 'General case' 0 C--N 1.321 -0.63 0 O-C-N 121.959 -0.463 . . . . 1.5 110.272 175.448 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.416 ' HA ' ' HA ' ' A' ' 81' ' ' GLU . 1.6 pt20 -115.89 132.21 56.71 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.48 0.657 . . . . 1.88 110.171 -179.842 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . 0.624 ' HB2' ' O ' ' A' ' 105' ' ' ILE . 9.2 p80 -154.53 -174.69 5.07 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 114.748 -1.114 . . . . 1.51 109.723 -171.76 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.545 ' CG ' ' HB ' ' A' ' 105' ' ' ILE . 17.7 ptpt -80.29 147.91 30.96 Favored 'General case' 0 N--CA 1.448 -0.55 0 C-N-CA 120.404 -0.518 . . . . 1.95 109.73 179.497 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 71.4 mt -140.59 132.86 31.51 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.969 0 CA-C-N 115.455 -0.793 . . . . 1.19 109.739 178.291 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 52.6 m -116.59 129.81 56.38 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-O 121.134 0.493 . . . . 1.12 111.312 -179.69 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.428 ' CE1' ' HG3' ' A' ' 102' ' ' GLU . 8.4 m-85 -109.05 134.85 51.13 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 108.041 -1.096 . . . . 0.81 108.041 174.348 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -154.53 139.4 17.19 Favored 'General case' 0 C--N 1.315 -0.912 0 C-N-CA 120.613 -0.435 . . . . 1.69 110.518 -178.229 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.413 HD23 HD22 ' A' ' 3' ' ' LEU . 1.4 mm? -80.39 109.21 14.67 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 109.107 -0.701 . . . . 1.81 109.107 175.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 83.0 tttt -85.44 -55.23 4.11 Favored 'General case' 0 C--N 1.317 -0.821 0 N-CA-C 108.592 -0.892 . . . . 3.48 108.592 -173.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 43.7 m-20 -133.99 164.06 46.68 Favored Pre-proline 0 C--N 1.318 -0.782 0 N-CA-C 107.797 -1.186 . . . . 1.79 107.797 174.192 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_exo -67.18 4.89 1.01 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.829 2.353 . . . . 1.07 112.511 -178.278 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 5.0 p-10 -136.18 14.35 3.28 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.969 -0.56 . . . . 2.63 110.441 177.319 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 85.9 m -152.13 112.57 4.11 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-O 121.471 0.653 . . . . 1.26 112.268 -178.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -93.95 139.31 31.07 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.903 -1.147 . . . . 1.78 107.903 173.327 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' THR . . . . . 0.474 HG23 ' HG2' ' A' ' 117' ' ' GLU . 17.3 p -112.95 133.86 54.72 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 119.255 0.934 . . . . 1.11 111.817 -178.848 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.428 ' HG3' ' CE1' ' A' ' 92' ' ' PHE . 30.5 tt0 -120.22 109.04 14.94 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.69 -0.686 . . . . 1.31 109.694 174.752 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 91.0 m -107.4 123.51 48.48 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.235 0.541 . . . . 1.12 110.932 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . 0.538 ' HB3' ' CE1' ' A' ' 88' ' ' HIS . 3.8 m170 -96.89 122.66 40.1 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.477 -0.783 . . . . 2.22 108.94 177.271 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.624 ' O ' ' HB2' ' A' ' 88' ' ' HIS . 47.0 mt -122.96 119.37 57.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 120.905 0.383 . . . . 1.36 110.217 174.005 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.497 ' HA ' ' CB ' ' A' ' 88' ' ' HIS . 55.7 mtpt -64.36 118.13 8.25 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.744 -0.662 . . . . 2.12 111.408 179.214 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 6.8 m -63.7 -18.34 22.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.466 -0.788 . . . . 2.03 111.424 176.568 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -90.25 -41.8 11.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.117 -0.492 . . . . 2.5 110.619 177.701 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . 0.491 ' O ' ' HB2' ' A' ' 106' ' ' LYS . 5.8 m-20 -138.49 88.94 14.1 Favored Pre-proline 0 C--N 1.326 -0.454 0 CA-C-N 116.166 -0.47 . . . . 2.39 110.547 176.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -70.62 3.5 3.14 Favored 'Trans proline' 0 C--O 1.234 0.3 0 C-N-CA 123.29 2.66 . . . . 0.91 112.883 -178.403 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 34.3 p -80.28 -28.31 38.38 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-O 121.246 0.546 . . . . 1.91 109.556 173.477 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -92.33 114.95 27.63 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.549 -0.75 . . . . 1.59 109.132 174.725 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.487 HG13 HG12 ' A' ' 105' ' ' ILE . 2.8 m -123.37 178.32 3.42 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.02 0 CA-C-N 115.909 -0.587 . . . . 2.17 109.821 -177.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -170.68 119.25 0.53 Allowed 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 109.834 -0.432 . . . . 2.78 109.834 -178.603 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 89.4 m -123.57 123.94 41.7 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.399 0.618 . . . . 1.18 111.939 -174.664 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' TYR . . . . . 0.499 ' CE1' ' HE3' ' A' ' 129' ' ' MET . 2.5 m-30 -99.17 156.93 16.71 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 107.201 -1.407 . . . . 1.49 107.201 171.395 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . 0.474 ' HG2' HG23 ' A' ' 101' ' ' THR . 36.7 mt-10 -133.21 122.48 24.03 Favored 'General case' 0 N--CA 1.444 -0.754 0 N-CA-C 107.146 -1.427 . . . . 1.53 107.146 172.811 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . 0.547 ' CE1' ' HE3' ' A' ' 127' ' ' MET . 73.9 m-85 -88.12 104.61 16.85 Favored 'General case' 0 C--N 1.316 -0.866 0 N-CA-C 109.283 -0.636 . . . . 1.0 109.283 -179.716 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 17.2 ptt180 -115.8 149.88 37.83 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.835 -0.432 . . . . 3.96 109.835 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . 0.542 ' NH2' ' HA ' ' A' ' 123' ' ' ASP . 10.0 mmm180 -100.54 136.01 41.08 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.94 0.4 . . . . 2.25 111.464 -178.623 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -133.46 89.09 2.55 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.764 -0.653 . . . . 1.08 109.36 174.611 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 77.25 -109.69 2.85 Favored Glycine 0 N--CA 1.446 -0.645 0 CA-C-N 115.698 -0.683 . . . . 1.04 111.395 -176.751 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . 0.542 ' HA ' ' NH2' ' A' ' 120' ' ' ARG . 15.8 m-20 -109.84 10.37 24.52 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.091 0.472 . . . . 2.31 110.574 177.704 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -108.18 139.48 42.8 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.036 -0.529 . . . . 1.17 111.47 -175.259 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.453 ' O ' ' HB2' ' A' ' 140' ' ' TYR . 3.2 tm? -92.72 118.84 31.49 Favored 'General case' 0 N--CA 1.447 -0.606 0 N-CA-C 107.24 -1.392 . . . . 1.66 107.24 172.209 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 44.0 t -108.6 122.78 63.67 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.928 0 C-N-CA 120.327 -0.549 . . . . 1.1 110.671 -170.576 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' MET . . . . . 0.547 ' HE3' ' CE1' ' A' ' 118' ' ' TYR . 0.0 OUTLIER -79.15 123.99 27.9 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.329 -0.851 . . . . 1.4 110.119 178.636 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . 0.532 ' HE2' ' OG ' ' A' ' 130' ' ' SER . 18.5 tptm -113.36 111.43 21.97 Favored 'General case' 0 C--N 1.317 -0.811 0 N-CA-C 109.347 -0.612 . . . . 2.68 109.347 177.498 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' MET . . . . . 0.517 ' HE1' ' CE1' ' A' ' 22' ' ' TYR . 59.1 mtp -128.56 129.03 45.39 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.508 -0.553 . . . . 1.66 109.508 -179.821 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' SER . . . . . 0.532 ' OG ' ' HE2' ' A' ' 128' ' ' LYS . 2.3 m -132.29 134.95 45.86 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.176 0.512 . . . . 1.5 111.005 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' TRP . . . . . . . . . . . . . 42.6 t-105 -148.91 129.46 13.98 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.269 -0.878 . . . . 0.88 109.687 176.575 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 68.5 mttm 54.37 38.61 29.84 Favored 'General case' 0 C--N 1.327 -0.389 0 O-C-N 123.664 0.603 . . . . 2.42 111.207 -178.339 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 82.88 -10.49 57.21 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.998 -0.62 . . . . 0.53 113.096 179.418 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . 0.499 ' O ' ' HA ' ' A' ' 130' ' ' SER . 8.2 t -86.86 108.34 17.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.753 0.277 . . . . 1.13 110.416 -178.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -102.36 126.71 49.46 Favored 'General case' 0 N--CA 1.445 -0.681 0 CA-C-O 121.506 0.67 . . . . 1.64 111.362 177.419 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' THR . . . . . 0.482 ' CG2' ' HB2' ' A' ' 129' ' ' MET . 5.1 t -114.38 135.73 53.77 Favored 'General case' 0 C--N 1.312 -1.03 0 CA-C-N 115.155 -0.929 . . . . 1.1 109.792 178.747 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' SER . . . . . 0.447 ' HA ' ' O ' ' A' ' 127' ' ' MET . 14.8 m -115.08 108.59 16.86 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.102 -0.499 . . . . 1.06 110.011 178.048 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . 0.462 ' HD3' ' O2 ' ' A' 1001 ' ' OLA . 44.9 mtp180 -99.14 128.46 45.28 Favored 'General case' 0 C--N 1.319 -0.717 0 N-CA-C 109.244 -0.65 . . . . 2.41 109.244 178.456 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 91.1 m-85 -97.25 113.22 24.8 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 121.079 0.466 . . . . 1.03 111.301 -170.722 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' TYR . . . . . 0.468 ' HH ' HG12 ' A' ' 41' ' ' VAL . 24.1 m-85 -104.71 135.1 46.72 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.52 -0.764 . . . . 0.92 109.585 177.166 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . 0.407 ' O ' ' N ' ' A' ' 12' ' ' LYS . 12.5 ptpt -109.11 169.2 8.84 Favored 'General case' 0 C--N 1.312 -1.038 0 N-CA-C 107.625 -1.25 . . . . 2.41 107.625 171.546 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . 0.482 ' O ' ' HG2' ' A' ' 12' ' ' LYS . 61.7 tttm -53.14 164.0 0.48 Allowed 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 118.599 0.636 . . . . 2.59 111.421 171.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . 0.554 ' CD ' ' HB3' ' A' ' 12' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.054 0 O-C-N 121.349 -0.844 . . . . 1.74 109.375 159.593 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1001 ' ' OLA . . . . . 0.588 ' H9 ' ' HA ' ' A' ' 36' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' -11' ' ' MET . . . . . 0.413 ' HG3' ' HG3' ' A' ' -10' ' ' ARG . 26.1 ptt? . . . . . 0 N--CA 1.483 1.185 0 CA-C-O 120.764 0.316 . . . . 14.72 111.111 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' -10' ' ' ARG . . . . . 0.413 ' HG3' ' HG3' ' A' ' -11' ' ' MET . 99.7 mtt180 -118.13 164.84 14.55 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.986 -0.376 . . . . 16.38 109.986 179.019 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' -9' ' ' GLY . . . . . . . . . . . . . . . 139.12 -156.28 24.35 Favored Glycine 0 N--CA 1.446 -0.677 0 C-N-CA 120.649 -0.786 . . . . 12.05 112.091 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' -8' ' ' SER . . . . . . . . . . . . . 14.3 m -91.96 71.02 5.55 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.076 0.465 . . . . 11.72 110.751 -178.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' -7' ' ' HIS . . . . . . . . . . . . . 41.2 p-80 -158.21 138.05 12.16 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.433 -0.58 . . . . 12.39 109.433 176.009 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' -6' ' ' HIS . . . . . . . . . . . . . 10.6 t-80 -79.4 138.58 37.69 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.007 -0.542 . . . . 11.6 111.301 -171.424 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' -5' ' ' HIS . . . . . . . . . . . . . 54.9 m80 -103.28 -169.85 1.71 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.815 -0.63 . . . . 9.98 109.876 177.55 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' -4' ' ' HIS . . . . . . . . . . . . . 42.1 m80 70.73 -73.53 0.1 Allowed 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 123.263 0.625 . . . . 11.3 110.709 179.52 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' -3' ' ' HIS . . . . . . . . . . . . . 47.0 t60 -89.78 70.19 7.66 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 108.772 -0.825 . . . . 9.34 108.772 175.641 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 59.4 t60 -160.19 108.77 1.7 Allowed 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.964 -0.562 . . . . 7.77 110.636 -174.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -96.4 -89.62 1.82 Allowed Glycine 0 N--CA 1.445 -0.707 0 C-N-CA 120.903 -0.665 . . . . 3.92 111.471 177.796 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 16.2 m -108.67 151.84 25.62 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 110.141 -0.318 . . . . 3.42 110.141 179.059 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . 0.55 ' O ' HD21 ' A' ' 74' ' ' LEU . 52.7 mtpt -83.73 111.07 18.83 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 108.885 -0.783 . . . . 3.45 108.885 174.684 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.0 m -72.34 129.35 38.19 Favored 'General case' 0 C--N 1.317 -0.821 0 C-N-CA 120.777 -0.369 . . . . 1.44 110.335 -176.603 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.617 ' HB2' ' CE1' ' A' ' 56' ' ' TYR . 0.5 OUTLIER -65.23 121.39 74.22 Favored Pre-proline 0 C--N 1.323 -0.551 0 CA-C-N 115.759 -0.655 . . . . 1.33 110.173 179.675 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 25.4 Cg_exo -61.12 136.88 67.77 Favored 'Trans proline' 0 N--CA 1.46 -0.471 0 C-N-CA 122.58 2.187 . . . . 0.81 111.068 174.22 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.5 ' HA ' HD11 ' A' ' 8' ' ' LEU . 4.7 m-20 -58.42 -21.46 50.9 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 115.88 -0.6 . . . . 2.19 111.022 -178.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 48.4 tttm -55.12 -33.84 63.2 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 115.542 -0.754 . . . . 3.1 112.164 175.155 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 70.6 m-85 -90.19 -2.04 58.01 Favored 'General case' 0 C--N 1.331 -0.199 0 O-C-N 121.934 -0.479 . . . . 0.74 110.905 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.5 HD11 ' HA ' ' A' ' 5' ' ' ASP . 90.4 mt -98.32 166.14 11.53 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.477 0.656 . . . . 1.12 111.773 -172.512 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 117.79 -162.73 12.95 Favored Glycine 0 N--CA 1.446 -0.689 0 CA-C-N 114.943 -1.026 . . . . 0.52 111.263 179.184 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.546 ' O ' ' HA ' ' A' ' 142' ' ' LYS . 14.9 t -130.17 140.24 50.78 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-O 121.115 0.484 . . . . 1.62 110.115 174.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.445 ' HA ' ' HA ' ' A' ' 142' ' ' LYS . 51.3 m-85 -131.08 132.43 44.87 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 115.724 -0.671 . . . . 0.57 111.229 -176.35 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.453 ' HB3' ' NE2' ' A' ' 143' ' ' GLN . 2.9 ptpp? -91.04 137.01 32.69 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 120.453 -0.499 . . . . 2.65 110.018 170.638 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.539 HD13 ' NH2' ' A' ' 138' ' ' ARG . 5.1 tt -54.5 119.72 5.64 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.696 -0.684 . . . . 1.79 110.675 175.126 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -90.81 -55.24 3.64 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.829 -0.434 . . . . 2.08 109.829 174.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 6.5 ptm180 -164.9 -171.47 2.27 Favored 'General case' 0 CA--C 1.529 0.157 0 CA-C-N 116.387 -0.369 . . . . 3.92 110.691 -177.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -159.52 170.83 20.84 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.203 -0.453 . . . . 1.19 110.427 177.266 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -139.56 127.72 22.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.392 -0.367 . . . . 2.66 110.413 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 64.7 t30 70.9 23.07 4.45 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-O 122.043 0.925 . . . . 0.97 110.994 176.244 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 28.9 t80 -72.09 -42.02 66.65 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.175 -0.92 . . . . 0.64 111.154 -174.258 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.548 ' OD1' ' HE2' ' A' ' 24' ' ' LYS . 21.3 t70 -53.12 -53.81 44.91 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 116.4 -0.363 . . . . 2.04 111.463 177.862 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -59.29 -36.47 75.64 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-N 116.111 -0.495 . . . . 1.79 111.549 -179.602 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.596 ' CE1' ' HE2' ' A' ' 129' ' ' MET . 84.0 t80 -60.79 -38.4 85.17 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-O 120.804 0.335 . . . . 1.12 110.898 175.86 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 84.5 mt -66.64 -36.88 83.63 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.784 0.326 . . . . 1.13 110.399 -179.085 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.548 ' HE2' ' OD1' ' A' ' 20' ' ' ASP . 68.0 mttm -63.13 -43.51 98.19 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.371 0.605 . . . . 2.43 109.633 176.46 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.71 -44.72 96.24 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 114.982 -1.008 . . . . 1.2 111.32 179.03 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 15.6 mmm180 -70.61 -10.39 59.19 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.325 -0.398 . . . . 1.71 111.838 -178.172 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 91.92 24.13 25.97 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.57 -0.824 . . . . 0.62 112.573 177.412 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 62.9 m-85 -89.68 122.21 32.58 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.798 -0.445 . . . . 0.99 109.798 177.082 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.476 ' O ' ' HG3' ' A' ' 33' ' ' ARG . . . -75.0 -175.75 36.51 Favored Glycine 0 N--CA 1.443 -0.861 0 CA-C-N 115.375 -0.83 . . . . 1.54 112.699 -176.483 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.458 ' O ' ' HG2' ' A' ' 34' ' ' GLN . 90.4 t90 -53.88 -51.61 63.1 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 122.478 0.311 . . . . 1.31 111.391 -175.234 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.425 HD13 ' HA ' ' A' ' 31' ' ' ILE . 1.0 OUTLIER -55.47 -53.16 39.12 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.139 0 CA-C-N 116.406 -0.361 . . . . 2.68 111.859 -179.41 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.614 ' O ' HG13 ' A' ' 36' ' ' ILE . 52.2 mmm -56.99 -43.94 82.24 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.324 -0.398 . . . . 1.16 111.354 179.85 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.476 ' HG3' ' O ' ' A' ' 29' ' ' GLY . 71.9 mtm-85 -62.36 -30.78 71.43 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 120.941 -0.304 . . . . 2.48 110.928 -179.322 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.574 ' O ' HD22 ' A' ' 38' ' ' LEU . 10.3 mm100 -72.58 -26.33 61.67 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.934 0.397 . . . . 2.4 110.403 178.45 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.434 ' CG1' ' HG3' ' A' ' 64' ' ' LYS . 83.6 t -83.92 -63.76 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 116.173 -0.467 . . . . 1.33 110.717 176.623 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.614 HG13 ' O ' ' A' ' 32' ' ' MET . 33.1 mt -48.91 -41.03 12.89 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.394 0 C-N-CA 123.976 0.91 . . . . 1.25 113.417 -176.519 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 56.5 mtmt -74.5 -24.24 58.97 Favored 'General case' 0 N--CA 1.466 0.342 0 O-C-N 122.058 -0.401 . . . . 1.62 112.055 -176.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.574 HD22 ' O ' ' A' ' 34' ' ' GLN . 3.9 mm? -103.84 3.3 33.71 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.79 0.328 . . . . 2.6 111.33 -174.022 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -89.83 120.1 30.78 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 120.898 0.38 . . . . 1.15 110.739 -179.713 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.442 ' O ' ' HA ' ' A' ' 62' ' ' THR . . . -72.93 143.55 33.63 Favored Glycine 0 N--CA 1.445 -0.753 0 N-CA-C 110.852 -0.899 . . . . 0.84 110.852 174.681 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 45.9 t -127.86 133.49 67.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-O 121.109 0.48 . . . . 1.88 111.272 -173.747 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 99.5 m -114.17 115.76 28.0 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.598 -0.728 . . . . 1.13 110.54 174.58 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.434 ' O ' ' HA ' ' A' ' 10' ' ' THR . 74.8 mmtt -87.97 136.78 32.81 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.311 -0.626 . . . . 1.45 109.311 176.047 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.499 ' O ' ' HA ' ' A' ' 58' ' ' MET . 28.0 mtpp -137.42 103.48 5.08 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.741 0.305 . . . . 2.46 111.196 -179.639 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 79.5 m-85 -107.07 118.48 36.81 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.845 -0.616 . . . . 0.63 109.645 176.476 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.429 HH11 ' HD3' ' A' ' 46' ' ' ARG . 1.6 ptm180 -146.4 167.74 22.86 Favored 'General case' 0 C--N 1.32 -0.696 0 C-N-CA 121.015 -0.274 . . . . 3.72 111.225 -179.457 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 48.6 m-80 -54.26 147.15 13.81 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.691 -0.686 . . . . 1.9 109.373 172.498 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.478 ' O ' ' N ' ' A' ' 50' ' ' SER . . . -62.93 105.22 0.64 Allowed 'General case' 0 CA--C 1.51 -0.569 0 N-CA-C 112.809 0.67 . . . . 1.18 112.809 -170.808 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 55.32 -72.35 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.553 0 O-C-N 124.927 1.392 . . . . 1.94 113.85 167.736 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.478 ' N ' ' O ' ' A' ' 48' ' ' ALA . 42.4 m -80.93 -24.85 37.9 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.909 -0.587 . . . . 2.82 110.234 -176.536 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 115.04 33.35 1.67 Allowed Glycine 0 N--CA 1.447 -0.598 0 CA-C-N 115.55 -0.75 . . . . 1.96 111.34 -178.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -89.28 143.89 31.58 Favored Pre-proline 0 N--CA 1.444 -0.765 0 CA-C-N 115.33 -0.435 . . . . 3.54 110.218 -175.622 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.463 ' C ' ' H ' ' A' ' 55' ' ' ARG . 98.5 Cg_endo -88.34 167.17 6.49 Favored 'Trans proline' 0 N--CA 1.457 -0.628 0 C-N-CA 122.721 2.28 . . . . 2.1 112.492 178.199 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 36.5 m-20 69.91 -3.86 1.62 Allowed 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 123.402 0.681 . . . . 2.44 111.051 176.734 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.463 ' H ' ' C ' ' A' ' 53' ' ' PRO . 11.2 mtt180 -148.5 131.7 16.43 Favored 'General case' 0 N--CA 1.444 -0.73 0 N-CA-C 107.732 -1.21 . . . . 4.72 107.732 173.456 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.617 ' CE1' ' HB2' ' A' ' 3' ' ' LEU . 80.4 m-85 -129.56 175.5 8.74 Favored 'General case' 0 C--N 1.314 -0.976 0 CA-C-O 121.343 0.592 . . . . 1.39 111.945 -169.709 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.483 ' OD2' ' HA ' ' A' ' 70' ' ' LYS . 14.7 t70 -124.45 137.29 54.45 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 114.852 -1.067 . . . . 1.1 109.027 -177.427 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.499 ' HA ' ' O ' ' A' ' 44' ' ' LYS . 9.9 tpt -137.75 128.0 26.15 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.953 0.406 . . . . 1.22 110.597 -175.756 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.524 ' HG3' ' O ' ' A' ' 67' ' ' THR . 39.1 tt0 -131.92 143.43 50.12 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 116.164 -0.471 . . . . 1.77 111.139 -175.642 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.481 ' HB2' ' OG1' ' A' ' 67' ' ' THR . 37.3 m-80 -122.84 90.47 3.3 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 108.957 -0.757 . . . . 1.55 108.957 178.368 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 61.9 tp -88.97 123.48 33.34 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 109.5 -0.556 . . . . 2.22 109.5 179.623 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.442 ' HA ' ' O ' ' A' ' 40' ' ' GLY . 38.8 p -128.94 -173.0 2.86 Favored 'General case' 0 N--CA 1.442 -0.859 0 N-CA-C 109.742 -0.466 . . . . 1.16 109.742 -176.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 33.9 p -81.43 -24.69 36.72 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-O 121.206 0.527 . . . . 1.14 111.202 -177.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.434 ' HG3' ' CG1' ' A' ' 35' ' ' VAL . 30.9 mmmt -114.96 -24.13 8.76 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.937 -0.574 . . . . 2.64 111.901 -174.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.557 ' HE2' ' O ' ' A' ' 83' ' ' LEU . 29.8 mmmt -130.85 -156.62 0.77 Allowed 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.434 0.635 . . . . 2.34 112.607 -168.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.454 ' H ' ' HB3' ' A' ' 65' ' ' LYS . 13.3 t70 173.33 142.4 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 114.228 -1.351 . . . . 2.12 109.036 -171.318 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.524 ' O ' ' HG3' ' A' ' 59' ' ' GLU . 5.3 p -152.1 136.92 17.11 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 108.54 -0.911 . . . . 1.17 108.54 173.654 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 8.1 t-160 -131.63 84.3 2.16 Favored 'General case' 0 C--N 1.316 -0.89 0 C-N-CA 120.459 -0.496 . . . . 2.5 109.724 -176.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 17.2 m-70 -73.04 85.73 1.31 Allowed 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 108.701 -0.852 . . . . 0.48 108.701 177.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.483 ' HA ' ' OD2' ' A' ' 57' ' ' ASP . 14.6 ptpt -89.65 122.92 33.24 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 120.992 0.425 . . . . 2.79 112.12 -175.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.42 ' OD1' ' HD3' ' A' ' 55' ' ' ARG . 38.9 t70 65.75 75.05 0.36 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 114.933 -1.031 . . . . 2.07 111.209 173.591 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 65.3 p-90 -128.32 159.02 36.59 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.791 -0.641 . . . . 0.51 110.305 176.22 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.496 ' O ' ' HB3' ' A' ' 76' ' ' GLU . . . -127.97 155.37 44.37 Favored 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 109.835 -0.432 . . . . 1.22 109.835 171.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.583 HD12 ' H ' ' A' ' 74' ' ' LEU . 0.0 OUTLIER -63.76 147.02 52.78 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.313 0.577 . . . . 2.28 109.931 171.9 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 73.55 6.74 71.9 Favored Glycine 0 C--N 1.313 -0.709 0 CA-C-N 115.501 -0.772 . . . . 0.66 111.9 -171.64 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.496 ' HB3' ' O ' ' A' ' 73' ' ' ALA . 34.6 tt0 -114.54 150.58 34.72 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-O 121.112 0.482 . . . . 2.37 110.541 -178.529 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.472 ' HG3' ' HG1' ' A' ' 91' ' ' THR . 29.0 tt0 -131.32 123.53 28.5 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.239 -0.892 . . . . 1.4 109.36 -172.846 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 45.1 p90 -133.94 161.88 33.59 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.934 0.397 . . . . 0.69 111.644 -174.508 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 57.3 tt0 -84.84 134.57 34.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.679 -0.691 . . . . 2.38 109.504 175.631 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -143.48 155.77 44.45 Favored 'General case' 0 C--O 1.242 0.68 0 CA-C-O 120.812 0.339 . . . . 1.26 111.266 -170.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.424 ' HG3' ' OE1' ' A' ' 87' ' ' GLN . 28.0 tt0 -93.36 89.17 6.25 Favored 'General case' 0 N--CA 1.447 -0.581 0 N-CA-C 107.81 -1.181 . . . . 2.26 107.81 175.309 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.88 166.88 12.54 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 114.364 -1.289 . . . . 1.61 114.127 -164.765 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.557 ' O ' ' HE2' ' A' ' 65' ' ' LYS . 13.2 tp -71.98 -28.37 63.37 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 113.383 -1.735 . . . . 1.98 110.43 -174.844 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.478 ' HA ' H141 ' A' 1001 ' ' OLA . 10.3 p-10 -83.04 26.84 0.59 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.74 -0.664 . . . . 1.55 111.794 178.103 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 69.6 m 62.25 33.45 16.65 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 115.763 -0.653 . . . . 1.68 112.183 171.413 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 23.3 p -131.54 174.11 10.43 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.184 -0.462 . . . . 1.5 110.462 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.424 ' OE1' ' HG3' ' A' ' 81' ' ' GLU . 9.8 mm100 -120.45 101.84 8.05 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 108.852 -0.796 . . . . 1.88 108.852 179.204 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . 0.59 ' HB2' ' O ' ' A' ' 105' ' ' ILE . 16.3 p80 -147.03 177.05 9.46 Favored 'General case' 0 C--N 1.319 -0.749 0 C-N-CA 120.386 -0.526 . . . . 1.51 111.163 -175.488 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.412 ' H ' HG13 ' A' ' 107' ' ' VAL . 55.7 pttt -85.63 153.97 22.01 Favored 'General case' 0 N--CA 1.442 -0.857 0 CA-C-O 121.184 0.516 . . . . 1.95 110.364 -174.726 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 52.1 mt -140.23 137.56 37.39 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.944 0 CA-C-N 115.238 -0.892 . . . . 1.19 110.113 -179.361 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.472 ' HG1' ' HG3' ' A' ' 77' ' ' GLU . 9.8 m -123.78 141.2 52.25 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.121 -0.49 . . . . 1.12 110.602 -179.534 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 52.7 m-85 -112.7 149.47 32.87 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 108.527 -0.916 . . . . 0.81 108.527 173.112 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -155.44 130.62 9.5 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 120.794 0.331 . . . . 1.69 111.023 178.341 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -82.05 106.04 13.64 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 108.206 -1.035 . . . . 1.81 108.206 174.252 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 52.4 tttm -85.2 -57.65 3.0 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 109.265 -0.642 . . . . 3.48 109.265 -172.366 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.408 ' C ' ' H ' ' A' ' 98' ' ' ASN . 37.6 m-20 -129.59 164.59 38.88 Favored Pre-proline 0 C--N 1.319 -0.74 0 N-CA-C 107.92 -1.141 . . . . 1.79 107.92 177.715 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 21.2 Cg_exo -66.79 8.16 0.36 Allowed 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.938 2.425 . . . . 1.07 113.097 -176.519 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . 0.408 ' H ' ' C ' ' A' ' 96' ' ' ASP . 64.6 t30 -145.68 25.5 1.32 Allowed 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.321 -0.622 . . . . 2.63 109.321 174.731 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 22.0 m -151.51 103.81 3.01 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 121.198 0.523 . . . . 1.26 112.081 -179.715 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.462 ' HB3' ' HB2' ' A' ' 118' ' ' TYR . 18.9 tp -94.28 151.67 19.26 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 108.207 -1.035 . . . . 1.78 108.207 169.38 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 13.9 p -129.87 139.93 51.09 Favored 'General case' 0 C--N 1.322 -0.629 0 O-C-N 121.502 -0.749 . . . . 1.11 111.573 179.495 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 54.2 tt0 -117.21 108.33 15.53 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.172 -0.677 . . . . 1.31 109.172 175.559 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 93.6 m -102.17 118.99 38.05 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.039 -0.528 . . . . 1.12 110.839 -176.142 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . 0.431 ' HB3' ' CE1' ' A' ' 88' ' ' HIS . 9.8 m170 -99.98 121.93 42.11 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.835 -0.62 . . . . 2.22 109.788 179.372 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.59 ' O ' ' HB2' ' A' ' 88' ' ' HIS . 57.1 mt -124.14 118.97 55.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 121.206 0.527 . . . . 1.36 111.456 175.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.536 ' HA ' ' CB ' ' A' ' 88' ' ' HIS . 60.9 mttp -62.2 113.42 2.86 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 114.903 -1.044 . . . . 2.12 111.125 176.451 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.412 HG13 ' H ' ' A' ' 89' ' ' LYS . 16.1 m -59.28 -22.2 21.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.224 -0.898 . . . . 2.03 112.029 178.782 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -86.57 -34.47 19.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.872 0.368 . . . . 2.5 110.662 179.702 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -148.65 93.43 4.29 Favored Pre-proline 0 C--N 1.327 -0.375 0 CA-C-O 121.601 0.715 . . . . 2.39 109.778 178.387 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -75.31 9.39 2.16 Favored 'Trans proline' 0 C--N 1.33 -0.411 0 C-N-CA 123.223 2.615 . . . . 0.91 113.724 -173.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 33.3 p -85.54 -24.66 27.19 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.299 -0.56 . . . . 1.91 110.017 177.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -90.22 58.28 4.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.481 0.658 . . . . 1.59 109.988 176.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 7.2 p -61.86 155.47 4.56 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.248 0 CA-C-N 115.282 -0.872 . . . . 2.17 109.683 172.281 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -152.17 125.41 8.7 Favored 'General case' 0 C--N 1.313 -1.0 0 N-CA-C 109.177 -0.675 . . . . 2.78 109.177 -179.21 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 24.6 m -130.59 132.41 45.51 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 121.283 0.563 . . . . 1.18 111.408 -173.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' TYR . . . . . 0.475 ' CE1' ' HE1' ' A' ' 129' ' ' MET . 3.8 m-30 -112.95 157.18 21.8 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 106.556 -1.646 . . . . 1.49 106.556 170.861 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . 0.473 ' O ' ' HA ' ' A' ' 127' ' ' MET . 32.5 mt-10 -125.19 138.2 54.13 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 108.485 -0.931 . . . . 1.53 108.485 179.241 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . 0.462 ' HB2' ' HB3' ' A' ' 100' ' ' LEU . 97.8 m-85 -103.52 86.31 2.62 Favored 'General case' 0 C--N 1.313 -1.018 0 CA-C-O 121.061 0.457 . . . . 1.0 109.862 177.706 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -113.08 138.97 49.13 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 108.539 -0.912 . . . . 3.96 108.539 177.128 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 13.7 mtp180 -104.15 140.79 37.3 Favored 'General case' 0 C--N 1.314 -0.967 0 C-N-CA 119.687 -0.805 . . . . 2.25 111.772 -175.26 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -92.85 -15.34 26.56 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 114.937 -1.029 . . . . 1.08 110.056 -178.745 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 145.62 -80.71 0.22 Allowed Glycine 0 N--CA 1.445 -0.722 0 N-CA-C 110.759 -0.937 . . . . 1.04 110.759 -177.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 -92.91 -21.17 19.99 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.065 0.46 . . . . 2.31 109.868 176.057 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . 0.664 ' CE2' ' HB3' ' A' ' 141' ' ' LYS . 95.6 m-85 -111.21 139.43 46.61 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-N 115.912 -0.586 . . . . 1.17 110.854 -175.715 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -84.21 127.45 33.95 Favored 'General case' 0 N--CA 1.439 -0.991 0 N-CA-C 106.896 -1.52 . . . . 1.66 106.896 170.075 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 38.9 t -110.09 108.92 26.62 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.05 0 N-CA-C 109.53 -0.544 . . . . 1.1 109.53 -176.183 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' MET . . . . . 0.473 ' HA ' ' O ' ' A' ' 117' ' ' GLU . 20.5 ttm -80.92 122.83 27.73 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 115.295 -0.866 . . . . 1.4 109.048 176.5 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . 0.441 ' HB3' ' HB2' ' A' ' 117' ' ' GLU . 41.0 tptt -109.66 112.47 24.56 Favored 'General case' 0 C--N 1.316 -0.872 0 N-CA-C 109.267 -0.642 . . . . 2.68 109.267 -175.719 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' MET . . . . . 0.596 ' HE2' ' CE1' ' A' ' 22' ' ' TYR . 30.7 mtp -121.63 125.0 45.66 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 109.118 -0.697 . . . . 1.66 109.118 -176.732 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 3.6 p -135.9 129.95 33.05 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.08 0.467 . . . . 1.5 111.65 -177.038 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' TRP . . . . . 0.551 ' CD1' ' HG2' ' A' ' 132' ' ' LYS . 52.9 t-105 -153.36 136.94 15.96 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.622 -0.717 . . . . 0.88 110.226 179.635 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . 0.551 ' HG2' ' CD1' ' A' ' 131' ' ' TRP . 75.7 mmtt 52.09 38.85 25.24 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 115.913 -0.585 . . . . 2.42 111.603 -177.458 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 81.88 -11.6 46.77 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 121.027 -0.606 . . . . 0.53 112.994 178.679 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 39.2 t -89.71 109.33 20.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 120.821 0.343 . . . . 1.13 110.393 -178.285 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -103.92 129.01 51.41 Favored 'General case' 0 N--CA 1.445 -0.692 0 CA-C-O 121.286 0.565 . . . . 1.64 111.248 177.782 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' THR . . . . . 0.505 ' CG2' ' HB2' ' A' ' 129' ' ' MET . 6.9 t -119.21 141.79 48.59 Favored 'General case' 0 C--N 1.312 -1.024 0 CA-C-N 115.226 -0.897 . . . . 1.1 109.99 179.123 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 12.1 m -116.73 116.38 27.41 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.874 -0.603 . . . . 1.06 109.641 179.452 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . 0.539 ' NH2' HD13 ' A' ' 13' ' ' LEU . 29.5 mtp180 -103.47 133.05 49.17 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.728 -0.471 . . . . 2.41 109.728 179.231 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 86.6 m-85 -106.31 113.03 26.32 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.243 0.544 . . . . 1.03 110.858 -173.306 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 63.4 m-85 -110.42 132.51 54.12 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.284 -0.871 . . . . 0.92 110.699 179.646 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . 0.664 ' HB3' ' CE2' ' A' ' 124' ' ' TYR . 0.0 OUTLIER -118.87 160.63 21.57 Favored 'General case' 0 C--O 1.212 -0.908 0 N-CA-C 107.396 -1.335 . . . . 2.41 107.396 172.682 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . 0.563 ' O ' ' HD3' ' A' ' 141' ' ' LYS . 86.5 tttt -41.74 153.17 0.06 Allowed 'General case' 0 N--CA 1.477 0.906 0 CA-C-N 118.43 0.559 . . . . 2.59 112.378 -177.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . 0.453 ' NE2' ' HB3' ' A' ' 12' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.026 0 O-C-N 120.598 -1.314 . . . . 1.74 111.029 168.819 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1001 ' ' OLA . . . . . 0.531 H182 HG21 ' A' ' 36' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' -11' ' ' MET . . . . . . . . . . . . . 38.5 ttm . . . . . 0 N--CA 1.481 1.08 0 CA-C-O 120.562 0.22 . . . . 14.72 110.438 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' -10' ' ' ARG . . . . . . . . . . . . . 21.0 mmm180 -128.67 166.3 19.2 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.946 -0.39 . . . . 16.38 109.946 176.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' -9' ' ' GLY . . . . . . . . . . . . . . . 90.85 -108.91 3.62 Favored Glycine 0 N--CA 1.447 -0.619 0 C-N-CA 120.719 -0.753 . . . . 12.05 112.061 178.563 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' -8' ' ' SER . . . . . . . . . . . . . 21.2 m 61.99 -172.62 0.15 Allowed 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 122.551 0.341 . . . . 11.72 111.116 179.475 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' -7' ' ' HIS . . . . . . . . . . . . . 39.5 m-70 61.12 -158.75 0.33 Allowed 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 116.369 -0.378 . . . . 12.39 110.665 178.676 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' -6' ' ' HIS . . . . . . . . . . . . . 63.6 m80 72.46 -69.25 0.19 Allowed 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 123.017 0.527 . . . . 11.6 110.991 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' -5' ' ' HIS . . . . . . . . . . . . . 6.9 p80 -157.07 153.71 28.3 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 110.059 -0.349 . . . . 9.98 110.059 178.752 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' -4' ' ' HIS . . . . . . . . . . . . . 9.1 m80 62.67 89.41 0.09 Allowed 'General case' 0 N--CA 1.464 0.259 0 O-C-N 123.853 0.721 . . . . 11.3 110.396 -171.524 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' -3' ' ' HIS . . . . . . . . . . . . . 34.0 m-70 -70.04 83.39 0.51 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.707 -0.679 . . . . 9.34 111.134 -177.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 72.6 m-70 -118.37 101.04 7.87 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 116.188 -0.46 . . . . 7.77 110.426 176.211 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -69.72 -41.39 74.51 Favored Glycine 0 N--CA 1.448 -0.532 0 N-CA-C 110.691 -0.963 . . . . 3.92 110.691 174.623 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 0' ' ' SER . . . . . 0.582 ' OG ' ' HB1' ' A' ' 73' ' ' ALA . 1.5 m -96.55 109.27 21.89 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.433 -0.384 . . . . 3.42 110.161 176.174 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 61.5 tttp -58.22 126.71 28.68 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 108.649 -0.871 . . . . 3.45 108.649 169.14 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.8 m -65.12 131.23 45.99 Favored 'General case' 0 C--N 1.313 -0.992 0 CA-C-N 116.126 -0.488 . . . . 1.44 110.619 -171.015 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.514 ' HB2' ' CZ ' ' A' ' 56' ' ' TYR . 1.0 OUTLIER -62.36 121.38 66.36 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 115.577 -0.738 . . . . 1.33 111.146 -175.413 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -56.82 124.35 16.04 Favored 'Trans proline' 0 N--CA 1.46 -0.483 0 C-N-CA 122.592 2.195 . . . . 0.81 110.727 172.329 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.415 ' HA ' HD11 ' A' ' 8' ' ' LEU . 6.5 m-20 -50.42 -25.82 4.33 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 115.968 -0.56 . . . . 2.19 112.309 -178.566 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.454 ' HB3' ' HG3' ' A' ' 120' ' ' ARG . 74.5 mmtt -58.21 -25.64 61.87 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 112.153 0.427 . . . . 3.1 112.153 178.321 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.442 ' HZ ' ' C ' ' A' ' 98' ' ' ASN . 26.1 m-85 -94.21 -2.47 52.43 Favored 'General case' 0 C--O 1.226 -0.159 0 O-C-N 122.165 -0.335 . . . . 0.74 111.277 -178.692 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.415 HD11 ' HA ' ' A' ' 5' ' ' ASP . 97.5 mt -95.6 151.49 19.29 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.197 0.522 . . . . 1.12 111.422 -171.89 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 116.98 -176.18 16.08 Favored Glycine 0 N--CA 1.445 -0.747 0 CA-C-N 115.184 -0.917 . . . . 0.52 110.958 -176.62 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.496 HG22 ' HB2' ' A' ' 143' ' ' GLN . 14.7 t -114.06 141.12 47.86 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-O 121.142 0.496 . . . . 1.62 110.068 178.412 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.54 ' HA ' ' HA ' ' A' ' 142' ' ' LYS . 63.2 m-85 -129.73 130.77 45.87 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 115.771 -0.65 . . . . 0.57 111.637 -175.428 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.53 ' HG3' ' O ' ' A' ' 142' ' ' LYS . 0.0 OUTLIER -93.79 134.04 36.56 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-O 121.192 0.52 . . . . 2.65 109.905 169.011 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -57.12 123.46 15.33 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.224 -0.443 . . . . 1.79 110.43 177.494 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -99.1 -45.55 5.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.472 -0.331 . . . . 2.08 110.86 179.254 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 12.0 ptm180 -153.27 178.27 9.95 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.988 0.423 . . . . 3.92 111.06 179.383 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -153.15 153.12 32.15 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.638 -0.71 . . . . 1.19 109.751 -179.348 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 48.0 mm-40 -132.4 118.62 19.59 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.486 -0.324 . . . . 2.66 110.71 -178.267 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 5.3 t30 66.32 31.55 8.33 Favored 'General case' 0 N--CA 1.468 0.475 0 CA-C-O 122.02 0.914 . . . . 0.97 110.524 175.706 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.438 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 36.3 t80 -77.39 -40.49 43.55 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 114.987 -1.006 . . . . 0.64 110.229 -177.465 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -55.15 -53.43 56.04 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.118 -0.492 . . . . 2.04 110.371 175.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 22.9 mp0 -51.91 -45.92 64.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.604 -0.726 . . . . 1.79 111.45 176.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.612 ' CE1' ' HE1' ' A' ' 129' ' ' MET . 90.6 t80 -60.16 -37.65 80.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.506 -0.316 . . . . 1.12 111.392 179.025 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.438 ' HG ' ' O ' ' A' ' 19' ' ' PHE . 95.2 mt -63.77 -38.54 91.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.004 0.43 . . . . 1.13 110.083 -179.113 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.433 ' HG2' ' NH1' ' A' ' 33' ' ' ARG . 52.6 mtpt -66.2 -47.56 73.5 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.848 -0.615 . . . . 2.43 110.003 177.396 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -55.33 -44.99 76.39 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.412 -0.813 . . . . 1.2 111.37 178.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.406 ' HD2' ' HA ' ' A' ' 26' ' ' ARG . 11.1 mmm180 -71.83 -3.8 24.31 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.274 0.472 . . . . 1.71 112.274 -178.131 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 88.21 25.37 31.43 Favored Glycine 0 N--CA 1.444 -0.817 0 C-N-CA 120.485 -0.864 . . . . 0.62 112.581 176.37 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.401 ' HB2' ' O ' ' A' ' 23' ' ' LEU . 67.9 m-85 -89.2 123.99 33.95 Favored 'General case' 0 N--CA 1.448 -0.529 0 N-CA-C 109.316 -0.624 . . . . 0.99 109.316 173.647 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -77.46 -175.31 42.96 Favored Glycine 0 N--CA 1.444 -0.776 0 C-N-CA 120.515 -0.85 . . . . 1.54 111.003 178.682 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 78.0 t90 -54.4 -41.65 69.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 117.07 0.435 . . . . 1.31 111.006 -178.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.578 HD12 ' N ' ' A' ' 31' ' ' ILE . 2.1 mp -57.6 -54.65 28.51 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.527 0 CA-C-O 120.981 0.42 . . . . 2.68 110.383 -174.296 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.477 ' CE ' H132 ' A' 1001 ' ' OLA . 0.0 OUTLIER -66.38 -44.87 81.92 Favored 'General case' 0 N--CA 1.437 -1.076 0 CA-C-N 115.605 -0.725 . . . . 1.16 110.578 179.192 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.433 ' NH1' ' HG2' ' A' ' 24' ' ' LYS . 32.3 ttp180 -58.82 -31.52 68.55 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.25 -0.432 . . . . 2.48 110.645 -178.192 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.519 ' O ' HD23 ' A' ' 38' ' ' LEU . 0.8 OUTLIER -72.17 -49.62 34.19 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.86 -0.609 . . . . 2.4 109.753 177.077 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 55.6 t -68.25 -53.47 28.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.09 -0.504 . . . . 1.33 111.235 -174.589 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.598 ' HA ' ' H9 ' ' A' 1001 ' ' OLA . 94.0 mt -46.7 -40.88 4.83 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 114.917 -1.038 . . . . 1.25 113.53 179.336 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 50.8 mtmt -80.63 -12.17 59.54 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 120.671 -0.412 . . . . 1.62 111.722 -178.205 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.519 HD23 ' O ' ' A' ' 34' ' ' GLN . 4.1 mm? -91.19 7.7 39.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.231 0.538 . . . . 2.6 110.372 174.764 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.582 ' HA ' ' OG1' ' A' ' 63' ' ' THR . . . -103.55 108.33 19.55 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.839 -0.619 . . . . 1.15 111.324 -179.309 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.62 ' O ' ' HA ' ' A' ' 62' ' ' THR . . . -70.88 134.23 23.45 Favored Glycine 0 N--CA 1.449 -0.433 0 N-CA-C 110.412 -1.075 . . . . 0.84 110.412 171.685 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 41.0 t -114.9 126.94 72.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-O 120.989 0.424 . . . . 1.88 111.8 -170.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 53.7 m -116.22 119.06 34.54 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.678 -0.692 . . . . 1.13 110.754 176.253 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.608 ' HZ1' ' C1 ' ' A' 1001 ' ' OLA . 74.5 mmtt -92.39 144.62 25.19 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.692 -0.485 . . . . 1.45 109.692 176.672 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.508 ' O ' ' HA ' ' A' ' 58' ' ' MET . 68.2 mttm -140.09 102.01 4.29 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.595 0.236 . . . . 2.46 110.814 178.889 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 89.0 m-85 -105.64 129.92 53.78 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.829 -0.434 . . . . 0.63 109.829 177.24 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 39.1 ptt180 -159.8 172.87 16.89 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 120.89 0.376 . . . . 3.72 110.931 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 50.1 m-80 -65.39 154.04 39.55 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 108.77 -0.826 . . . . 1.9 108.77 172.484 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.408 ' HA ' ' HB2' ' A' ' 57' ' ' ASP . . . -51.91 131.19 30.91 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-O 121.139 0.495 . . . . 1.18 111.277 -176.071 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.17 -29.96 70.35 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 114.922 -1.035 . . . . 1.94 111.133 -172.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 35.2 p -64.1 -4.34 3.45 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 112.832 0.678 . . . . 2.82 112.832 175.128 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 75.53 18.97 79.64 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.7 -0.762 . . . . 1.96 112.421 -176.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 50.6 mtpt -90.02 134.85 30.94 Favored Pre-proline 0 C--N 1.326 -0.437 0 CA-C-O 120.68 0.276 . . . . 3.54 110.583 179.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -75.65 152.3 37.66 Favored 'Trans proline' 0 C--O 1.236 0.41 0 C-N-CA 122.977 2.451 . . . . 2.1 112.283 -178.509 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 35.1 t70 83.9 -53.13 0.14 Allowed 'General case' 0 N--CA 1.469 0.48 0 O-C-N 124.187 0.929 . . . . 2.44 109.374 176.101 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.402 ' HD3' ' OD1' ' A' ' 71' ' ' ASP . 69.6 mtt180 -61.68 149.17 40.32 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.026 -0.988 . . . . 4.72 111.93 172.35 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.514 ' CZ ' ' HB2' ' A' ' 3' ' ' LEU . 80.2 m-85 -125.63 174.34 8.34 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.657 -0.701 . . . . 1.39 110.13 174.818 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.441 ' CG ' ' HE2' ' A' ' 68' ' ' HIS . 30.0 t70 -132.17 135.86 46.66 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.441 -0.577 . . . . 1.1 109.441 -178.66 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.508 ' HA ' ' O ' ' A' ' 44' ' ' LYS . 10.9 tpt -138.79 132.31 30.42 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 120.584 0.231 . . . . 1.22 111.27 -174.025 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -130.72 145.63 51.99 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.048 0.451 . . . . 1.77 111.613 -179.109 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.521 ' HB2' ' HG1' ' A' ' 67' ' ' THR . 27.7 m-80 -126.45 106.1 9.23 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 115.661 -0.699 . . . . 1.55 109.265 176.423 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 92.1 mt -100.99 136.13 41.32 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.514 -0.312 . . . . 2.22 110.368 178.149 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.62 ' HA ' ' O ' ' A' ' 40' ' ' GLY . 48.2 p -137.74 -173.31 3.46 Favored 'General case' 0 N--CA 1.447 -0.591 0 N-CA-C 108.886 -0.783 . . . . 1.16 108.886 178.783 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.582 ' OG1' ' HA ' ' A' ' 39' ' ' ALA . 52.7 p -93.23 -7.94 43.7 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.057 0.456 . . . . 1.14 111.139 -179.004 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 47.7 mmtm -124.63 -12.45 7.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.299 -0.409 . . . . 2.64 111.968 -177.258 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.409 ' HB3' ' H ' ' A' ' 66' ' ' ASP . 0.0 OUTLIER -140.76 -156.15 0.65 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.917 0.389 . . . . 2.34 111.354 -176.867 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.409 ' H ' ' HB3' ' A' ' 65' ' ' LYS . 5.8 p-10 168.07 114.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 114.91 -1.041 . . . . 2.12 109.626 -172.124 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.521 ' HG1' ' HB2' ' A' ' 60' ' ' ASN . 51.7 p -135.21 143.76 46.57 Favored 'General case' 0 C--N 1.315 -0.912 0 N-CA-C 109.724 -0.473 . . . . 1.17 109.724 -177.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.441 ' HE2' ' CG ' ' A' ' 57' ' ' ASP . 3.4 t60 -146.77 100.43 3.32 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.375 0.607 . . . . 2.5 111.014 -177.299 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 25.4 m-70 -79.98 88.82 5.33 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.66 -0.7 . . . . 0.48 109.55 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.41 ' HE2' ' CD2' ' A' ' 68' ' ' HIS . 0.0 OUTLIER -76.5 123.87 26.7 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 112.043 0.386 . . . . 2.79 112.043 179.073 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.402 ' OD1' ' HD3' ' A' ' 55' ' ' ARG . 0.7 OUTLIER 66.33 64.77 0.5 Allowed 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 115.411 -0.813 . . . . 2.07 112.213 170.781 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 68.5 p-90 -109.91 147.13 33.98 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 110.072 -0.344 . . . . 0.51 110.072 176.548 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.582 ' HB1' ' OG ' ' A' ' 0' ' ' SER . . . -118.39 147.68 43.29 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.602 0.239 . . . . 1.22 110.772 178.336 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.429 HD23 ' HG ' ' A' ' 3' ' ' LEU . 3.0 mm? -55.42 128.29 33.62 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.092 0.472 . . . . 2.28 111.202 172.519 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 83.68 13.12 76.33 Favored Glycine 0 N--CA 1.445 -0.759 0 CA-C-N 115.409 -0.814 . . . . 0.66 112.289 -178.793 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -105.84 151.26 24.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.292 0.567 . . . . 2.37 111.185 -178.598 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.404 ' HG3' ' HG1' ' A' ' 91' ' ' THR . 41.7 tt0 -127.16 116.29 20.42 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.14 -0.936 . . . . 1.4 109.309 -178.439 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 44.0 p90 -136.4 159.44 41.76 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 116.356 -0.384 . . . . 0.69 110.186 -175.063 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 24.6 tt0 -95.75 136.15 36.54 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.132 -0.692 . . . . 2.38 109.132 177.289 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.43 ' O ' ' HA ' ' A' ' 87' ' ' GLN . 23.2 t70 -159.76 166.04 31.24 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 120.841 -0.344 . . . . 1.26 110.349 -175.1 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.489 ' CB ' ' HG2' ' A' ' 87' ' ' GLN . 33.3 tt0 -89.06 111.18 21.86 Favored 'General case' 0 CA--C 1.512 -0.513 0 N-CA-C 109.508 -0.553 . . . . 2.26 109.508 -178.903 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.469 ' HB1' ' OD1' ' A' ' 84' ' ' ASP . . . -94.54 176.45 6.28 Favored 'General case' 0 C--N 1.308 -1.196 0 CA-C-N 115.112 -0.949 . . . . 1.61 112.883 -176.483 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -55.68 -29.34 59.19 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.285 -0.416 . . . . 1.98 111.236 -178.47 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.469 ' OD1' ' HB1' ' A' ' 82' ' ' ALA . 14.3 p-10 -78.75 22.05 0.38 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.333 -0.394 . . . . 1.55 111.618 -177.442 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 15.8 m 76.15 -24.13 0.23 Allowed 'General case' 0 N--CA 1.466 0.367 0 N-CA-C 113.228 0.825 . . . . 1.68 113.228 166.663 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 22.9 p -95.61 169.22 10.18 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.145 0.498 . . . . 1.5 111.039 -179.461 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.489 ' HG2' ' CB ' ' A' ' 81' ' ' GLU . 16.3 mt-30 -113.86 119.03 35.9 Favored 'General case' 0 N--CA 1.44 -0.962 0 N-CA-C 108.456 -0.942 . . . . 1.88 108.456 177.365 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . 0.625 ' CE1' ' HB3' ' A' ' 104' ' ' HIS . 6.1 p80 -146.45 176.79 9.54 Favored 'General case' 0 C--N 1.309 -1.186 0 CA-C-N 115.835 -0.62 . . . . 1.51 111.59 -170.074 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.421 ' HB3' ' HB ' ' A' ' 105' ' ' ILE . 40.6 ttmt -61.86 131.5 49.98 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 114.974 -1.012 . . . . 1.95 110.305 178.69 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.423 HD13 ' HB2' ' A' ' 82' ' ' ALA . 71.3 mt -137.8 133.35 44.98 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.82 0 CA-C-N 115.917 -0.583 . . . . 1.19 110.223 178.903 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.404 ' HG1' ' HG3' ' A' ' 77' ' ' GLU . 46.2 m -118.24 129.11 55.29 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 116.312 -0.403 . . . . 1.12 110.596 176.652 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -105.72 123.05 47.31 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 108.417 -0.957 . . . . 0.81 108.417 173.242 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -154.24 147.61 24.96 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-O 120.626 0.251 . . . . 1.69 110.485 -171.541 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 1.2 mt -92.12 116.1 28.64 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.287 -0.634 . . . . 1.81 109.287 173.585 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 44.5 tttm -83.53 -44.8 14.27 Favored 'General case' 0 C--N 1.317 -0.808 0 N-CA-C 108.342 -0.984 . . . . 3.48 108.342 -178.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.423 ' C ' ' H ' ' A' ' 98' ' ' ASN . 8.1 m-20 -126.23 163.76 38.04 Favored Pre-proline 0 C--N 1.319 -0.752 0 N-CA-C 107.31 -1.367 . . . . 1.79 107.31 173.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 16.3 Cg_exo -69.18 4.87 1.7 Allowed 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.871 2.381 . . . . 1.07 112.141 -177.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . 0.442 ' C ' ' HZ ' ' A' ' 7' ' ' PHE . 26.1 p-10 -145.96 27.39 1.18 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.594 -0.73 . . . . 2.63 110.243 -179.593 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 60.2 m -151.91 110.0 3.71 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.131 0.491 . . . . 1.26 111.139 178.248 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.403 HD22 ' H ' ' A' ' 101' ' ' THR . 0.8 OUTLIER -84.01 144.42 29.13 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.166 -1.05 . . . . 1.78 108.166 174.848 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' THR . . . . . 0.403 ' H ' HD22 ' A' ' 100' ' ' LEU . 6.7 p -126.74 134.36 50.65 Favored 'General case' 0 C--N 1.319 -0.752 0 O-C-N 121.632 -0.668 . . . . 1.11 111.079 177.248 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -115.33 100.56 8.2 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.994 -0.743 . . . . 1.31 108.994 177.013 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 38.5 m -96.42 121.14 37.91 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.419 -0.355 . . . . 1.12 110.387 -175.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . 0.625 ' HB3' ' CE1' ' A' ' 88' ' ' HIS . 1.7 m80 -106.74 121.66 44.82 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.561 -0.29 . . . . 2.22 110.547 -178.063 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.585 ' O ' ' HB2' ' A' ' 88' ' ' HIS . 22.4 mt -116.27 112.32 39.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-O 121.061 0.457 . . . . 1.36 109.931 173.34 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.497 ' HA ' ' CB ' ' A' ' 88' ' ' HIS . 55.1 mttm -63.79 128.76 37.27 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.542 -0.754 . . . . 2.12 111.365 -178.221 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.535 ' CG1' ' HA ' ' A' ' 88' ' ' HIS . 29.3 m -58.1 -32.95 45.37 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.305 0 CA-C-N 114.418 -1.264 . . . . 2.03 111.189 179.644 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -84.2 -56.46 3.64 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.299 -0.864 . . . . 2.5 110.358 -178.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . 0.44 ' O ' ' HB2' ' A' ' 106' ' ' LYS . 59.2 m-20 -118.72 92.08 43.61 Favored Pre-proline 0 CA--C 1.517 -0.324 0 CA-C-O 121.181 0.515 . . . . 2.39 110.996 178.888 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . 0.404 ' HD2' ' HA ' ' A' ' 109' ' ' ASP . 57.4 Cg_endo -71.54 -5.69 17.58 Favored 'Trans proline' 0 N--CA 1.462 -0.37 0 C-N-CA 122.983 2.456 . . . . 0.91 111.207 175.303 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 25.7 p -79.63 -25.33 41.43 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-N 115.05 -0.977 . . . . 1.91 110.446 175.589 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . 0.468 ' OD1' ' HE3' ' A' ' 106' ' ' LYS . 34.6 t70 -106.29 58.88 0.65 Allowed 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.52 0.676 . . . . 1.59 110.247 -178.749 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 13.2 m -67.94 179.29 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.543 -0.753 . . . . 2.17 111.993 176.466 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 59.5 tt0 -171.39 141.2 1.52 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.65 -0.705 . . . . 2.78 109.348 177.179 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 87.5 m -137.25 133.91 35.6 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.248 0.546 . . . . 1.18 111.893 -176.412 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' TYR . . . . . 0.621 ' CE1' ' HE3' ' A' ' 129' ' ' MET . 6.2 m-30 -108.18 160.49 15.78 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 107.219 -1.401 . . . . 1.49 107.219 171.886 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . 0.577 ' O ' ' HA ' ' A' ' 127' ' ' MET . 11.4 pt-20 -141.63 138.42 32.54 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 118.997 0.817 . . . . 1.53 109.517 177.03 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 95.7 m-85 -108.69 108.51 19.39 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.915 -176.285 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 12.9 ptm180 -118.12 169.11 9.95 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.991 -0.374 . . . . 3.96 109.991 175.015 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . 0.454 ' HG3' ' HB3' ' A' ' 6' ' ' LYS . 6.5 mmm180 -117.96 106.97 13.49 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 120.934 0.397 . . . . 2.25 111.702 -179.113 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -114.64 97.45 6.29 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.002 -0.544 . . . . 1.08 109.778 179.213 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 80.68 -127.22 7.8 Favored Glycine 0 N--CA 1.445 -0.719 0 C-N-CA 120.901 -0.666 . . . . 1.04 111.807 -178.318 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 37.3 m-20 -102.49 14.23 32.49 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.798 0.332 . . . . 2.31 110.845 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . 0.503 ' HH ' ' HZ3' ' A' ' 141' ' ' LYS . 71.4 m-85 -122.03 141.85 50.94 Favored 'General case' 0 CA--C 1.51 -0.585 0 CA-C-N 116.313 -0.403 . . . . 1.17 110.498 -176.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 28.8 tp -81.31 121.69 26.5 Favored 'General case' 0 N--CA 1.439 -1.014 0 N-CA-C 107.369 -1.345 . . . . 1.66 107.369 171.088 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 46.5 t -113.62 114.92 48.21 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.071 0 CA-C-O 121.54 0.686 . . . . 1.1 109.984 -172.731 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' MET . . . . . 0.577 ' HA ' ' O ' ' A' ' 117' ' ' GLU . 9.6 ttm -95.7 142.68 27.71 Favored 'General case' 0 C--N 1.309 -1.153 0 CA-C-N 114.785 -1.098 . . . . 1.4 109.682 178.226 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . 0.522 ' HB3' ' CG ' ' A' ' 117' ' ' GLU . 59.1 tttp -122.59 132.68 54.41 Favored 'General case' 0 C--N 1.312 -1.056 0 N-CA-C 108.853 -0.795 . . . . 2.68 108.853 175.75 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' MET . . . . . 0.621 ' HE3' ' CE1' ' A' ' 116' ' ' TYR . 43.1 mtp -128.61 121.42 28.63 Favored 'General case' 0 C--N 1.317 -0.821 0 N-CA-C 107.815 -1.18 . . . . 1.66 107.815 179.016 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 1.6 m -132.95 137.1 46.47 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 120.389 -0.524 . . . . 1.5 111.713 -174.289 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' TRP . . . . . 0.474 ' CD1' ' HG3' ' A' ' 132' ' ' LYS . 61.6 t-105 -150.36 127.46 11.22 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.453 -0.794 . . . . 0.88 109.99 177.633 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . 0.474 ' HG3' ' CD1' ' A' ' 131' ' ' TRP . 56.8 mtmt 54.68 39.07 31.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.963 -0.562 . . . . 2.42 111.595 -176.47 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 82.72 -31.25 3.05 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.84 -0.695 . . . . 0.53 112.74 -178.62 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 61.1 t -68.98 123.02 21.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 N-CA-C 109.832 -0.432 . . . . 1.13 109.832 178.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 22.5 t -131.75 161.61 32.45 Favored 'General case' 0 N--CA 1.444 -0.755 0 CA-C-O 121.696 0.76 . . . . 1.64 111.438 -176.235 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' THR . . . . . 0.442 ' CG2' ' HB2' ' A' ' 129' ' ' MET . 4.3 t -138.42 139.88 39.09 Favored 'General case' 0 C--N 1.309 -1.159 0 CA-C-N 114.357 -1.292 . . . . 1.1 110.317 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 3.3 m -106.09 116.71 32.41 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.078 -0.51 . . . . 1.06 109.683 177.238 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . 0.818 HH21 ' HH ' ' A' ' 140' ' ' TYR . 20.4 mmm180 -99.97 115.2 29.13 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 115.6 -0.727 . . . . 2.41 109.607 -178.128 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 92.6 m-85 -95.79 105.7 17.74 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.178 0.513 . . . . 1.03 110.854 -177.212 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 140' ' ' TYR . . . . . 0.818 ' HH ' HH21 ' A' ' 138' ' ' ARG . 76.3 m-85 -100.7 119.12 38.13 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 115.534 -0.757 . . . . 0.92 111.305 -178.459 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . 0.503 ' HZ3' ' HH ' ' A' ' 124' ' ' TYR . 2.4 tppp? -95.62 147.84 23.16 Favored 'General case' 0 N--CA 1.432 -1.352 0 N-CA-C 107.007 -1.479 . . . . 2.41 107.007 176.652 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . 0.54 ' HA ' ' HA ' ' A' ' 11' ' ' PHE . 56.3 mtpt -48.71 163.59 0.08 Allowed 'General case' 0 N--CA 1.475 0.776 0 CA-C-N 119.467 1.03 . . . . 2.59 111.901 175.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . 0.527 ' NE2' ' HB3' ' A' ' 12' ' ' LYS . 40.3 mm-40 . . . . . 0 C--O 1.25 1.124 0 O-C-N 121.216 -0.927 . . . . 1.74 110.416 164.032 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1001 ' ' OLA . . . . . 0.608 ' C1 ' ' HZ1' ' A' ' 43' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' -11' ' ' MET . . . . . . . . . . . . . 23.9 mmt . . . . . 0 N--CA 1.482 1.161 0 CA-C-O 120.794 0.331 . . . . 14.72 110.757 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' -10' ' ' ARG . . . . . . . . . . . . . 78.6 mtt180 -73.43 132.13 42.61 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.382 -0.372 . . . . 16.38 110.134 -179.447 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' -9' ' ' GLY . . . . . . . . . . . . . . . 103.19 -72.4 0.28 Allowed Glycine 0 N--CA 1.45 -0.409 0 N-CA-C 111.294 -0.722 . . . . 12.05 111.294 -175.432 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' -8' ' ' SER . . . . . . . . . . . . . 47.4 t 71.68 -51.82 0.69 Allowed 'General case' 0 N--CA 1.468 0.463 0 N-CA-C 113.285 0.846 . . . . 11.72 113.285 172.587 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' -7' ' ' HIS . . . . . . . . . . . . . 7.8 t-80 -59.56 -51.66 68.9 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 122.247 0.219 . . . . 12.39 111.318 -173.396 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' -6' ' ' HIS . . . . . . . . . . . . . 40.1 m80 52.27 68.12 0.87 Allowed 'General case' 0 N--CA 1.466 0.356 0 O-C-N 123.504 0.502 . . . . 11.6 111.45 178.707 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' -5' ' ' HIS . . . . . . . . . . . . . 30.0 t-80 -144.47 68.47 1.26 Allowed 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 121.23 0.538 . . . . 9.98 110.004 178.734 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' -4' ' ' HIS . . . . . . . . . . . . . 19.1 t60 -127.78 -14.87 5.03 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.848 -0.614 . . . . 11.3 110.747 -179.617 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' -3' ' ' HIS . . . . . . . . . . . . . 5.1 p-80 -144.25 33.51 1.2 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.225 0.536 . . . . 9.34 110.508 177.614 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 63.6 t60 -144.68 68.0 1.25 Allowed 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.812 -0.631 . . . . 7.77 109.595 179.412 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -110.14 -82.9 1.37 Allowed Glycine 0 N--CA 1.441 -0.981 0 C-N-CA 120.472 -0.87 . . . . 3.92 111.327 178.613 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 0' ' ' SER . . . . . 0.627 ' OG ' ' HB2' ' A' ' 73' ' ' ALA . 2.1 m -101.35 146.03 28.13 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-O 120.7 0.286 . . . . 3.42 110.268 -178.817 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . 0.413 ' HB2' HD21 ' A' ' 74' ' ' LEU . 87.3 mttt -63.45 133.15 53.45 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 107.382 -1.34 . . . . 3.45 107.382 170.018 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -77.43 122.95 25.88 Favored 'General case' 0 C--N 1.315 -0.925 0 C-N-CA 119.909 -0.717 . . . . 1.44 110.165 -175.75 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.461 ' HB2' ' CE1' ' A' ' 56' ' ' TYR . 0.9 OUTLIER -57.06 122.34 52.71 Favored Pre-proline 0 C--N 1.325 -0.487 0 CA-C-N 115.857 -0.61 . . . . 1.33 110.856 -179.42 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_exo -56.02 127.04 24.41 Favored 'Trans proline' 0 N--CA 1.463 -0.323 0 C-N-CA 122.792 2.328 . . . . 0.81 111.035 173.04 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -56.16 -23.97 38.28 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.188 -0.46 . . . . 2.19 112.206 -176.682 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 15.5 pttm -67.98 -11.46 58.9 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.352 0.501 . . . . 3.1 112.352 177.16 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.438 ' CE1' ' HG2' ' A' ' 120' ' ' ARG . 22.7 m-85 -95.49 -5.31 43.21 Favored 'General case' 0 CA--C 1.519 -0.228 0 O-C-N 121.839 -0.538 . . . . 0.74 110.481 175.62 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.436 HD23 ' HB3' ' A' ' 45' ' ' PHE . 78.4 mt -97.52 145.59 26.07 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.159 0.504 . . . . 1.12 111.036 -171.449 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 133.82 172.81 13.01 Favored Glycine 0 N--CA 1.449 -0.497 0 CA-C-N 115.255 -0.884 . . . . 0.52 111.59 -176.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 14.6 m -102.41 122.84 45.1 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.605 -0.517 . . . . 1.62 109.605 175.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.427 ' HA ' ' HA ' ' A' ' 142' ' ' LYS . 79.3 m-85 -116.76 134.64 54.55 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 112.234 0.457 . . . . 0.57 112.234 -172.714 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.677 ' HB3' ' NE2' ' A' ' 143' ' ' GLN . 19.7 ptpt -88.46 -161.29 0.72 Allowed 'General case' 0 N--CA 1.466 0.366 0 C-N-CA 120.49 -0.484 . . . . 2.65 109.79 165.126 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.454 HD13 ' CE1' ' A' ' 140' ' ' TYR . 7.2 tt -138.59 127.01 23.1 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 108.559 -0.904 . . . . 1.79 108.559 -174.854 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -99.04 -48.49 4.85 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 121.104 -0.239 . . . . 2.08 111.444 -175.752 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 15.0 ptm180 -157.56 -173.65 4.5 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.967 0.413 . . . . 3.92 111.185 -176.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -167.06 161.82 15.05 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.565 -0.743 . . . . 1.19 109.513 -177.674 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 59.2 mm-40 -140.36 134.89 31.54 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 123.133 0.27 . . . . 2.66 111.023 -175.544 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 57.1 t30 67.83 25.66 7.84 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-O 121.74 0.781 . . . . 0.97 111.234 173.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 24.3 t80 -74.63 -41.47 60.31 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.443 -0.799 . . . . 0.64 111.117 -173.587 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.415 ' CG ' ' HZ2' ' A' ' 37' ' ' LYS . 3.8 m-20 -54.31 -55.29 29.79 Favored 'General case' 0 CA--C 1.516 -0.341 0 CA-C-O 120.582 0.229 . . . . 2.04 111.243 176.819 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -56.96 -37.71 71.96 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.036 -0.529 . . . . 1.79 111.174 -178.684 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.546 ' CE1' ' HE1' ' A' ' 129' ' ' MET . 53.6 t80 -61.91 -43.21 99.32 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 120.824 -0.35 . . . . 1.12 110.943 174.127 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 94.6 mt -63.34 -41.86 98.91 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.98 0.419 . . . . 1.13 110.298 -178.42 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -65.08 -43.33 92.48 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.7 -0.682 . . . . 2.43 110.2 179.637 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.44 -39.68 76.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.657 -0.701 . . . . 1.2 111.014 175.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.462 ' NH1' ' HB2' ' A' ' 114' ' ' GLU . 12.5 mmm180 -69.91 -17.77 63.35 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.712 -0.677 . . . . 1.71 111.267 178.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 96.93 12.01 51.25 Favored Glycine 0 N--CA 1.446 -0.694 0 C-N-CA 120.781 -0.723 . . . . 0.62 112.393 -179.709 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 58.1 m-85 -73.91 123.51 24.39 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.937 0.399 . . . . 0.99 110.17 178.735 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -77.38 -173.69 39.93 Favored Glycine 0 N--CA 1.443 -0.875 0 C-N-CA 120.732 -0.746 . . . . 1.54 112.343 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.573 ' O ' ' HG2' ' A' ' 34' ' ' GLN . 83.8 t90 -54.95 -51.34 66.45 Favored 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 122.465 0.306 . . . . 1.31 111.566 -176.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 1.3 mm -54.36 -52.07 42.76 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.208 0 CA-C-O 120.823 0.344 . . . . 2.68 111.772 -178.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.405 ' HE1' H121 ' A' 1001 ' ' OLA . 0.0 OUTLIER -56.8 -44.89 82.39 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.147 -0.479 . . . . 1.16 110.71 179.513 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 47.5 mtm105 -63.68 -25.84 68.39 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 121.096 -0.242 . . . . 2.48 111.105 179.236 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.69 ' O ' HD23 ' A' ' 38' ' ' LEU . 26.1 mm-40 -76.67 -39.19 52.96 Favored 'General case' 0 C--O 1.223 -0.295 0 CA-C-O 120.796 0.331 . . . . 2.4 110.629 178.366 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.471 ' CG1' ' HG2' ' A' ' 64' ' ' LYS . 70.6 t -75.92 -63.77 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-O 121.149 0.5 . . . . 1.33 110.97 -179.191 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.583 ' HA ' ' H9 ' ' A' 1001 ' ' OLA . 83.8 mt -42.74 -45.76 1.18 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.445 0 C-N-CA 124.45 1.1 . . . . 1.25 113.685 -179.202 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.415 ' HZ2' ' CG ' ' A' ' 20' ' ' ASP . 46.4 mtmt -78.42 -23.44 46.68 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.524 0.565 . . . . 1.62 112.524 -174.309 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.69 HD23 ' O ' ' A' ' 34' ' ' GLN . 4.6 mm? -85.79 -28.15 24.72 Favored 'General case' 0 C--N 1.321 -0.667 0 C-N-CA 120.762 -0.375 . . . . 2.6 111.038 -177.059 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.487 ' HA ' ' OG1' ' A' ' 63' ' ' THR . . . -65.64 122.76 17.99 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.087 -0.506 . . . . 1.15 111.166 176.506 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.407 ' O ' ' HA ' ' A' ' 62' ' ' THR . . . -76.11 150.96 39.79 Favored Glycine 0 N--CA 1.448 -0.517 0 N-CA-C 110.543 -1.023 . . . . 0.84 110.543 174.237 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.43 ' HA ' HG21 ' A' ' 62' ' ' THR . 40.9 t -124.7 126.83 72.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 117.376 0.588 . . . . 1.88 111.939 -173.254 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 23.2 m -116.24 113.45 23.04 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.319 -0.855 . . . . 1.13 109.691 174.526 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.484 ' HE2' ' CE ' ' A' ' 127' ' ' MET . 49.1 mttp -109.22 139.46 44.11 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.978 -0.379 . . . . 1.45 109.978 178.7 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 15.8 ptmt -140.9 134.8 30.55 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-O 121.135 0.493 . . . . 2.46 111.529 -175.382 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.436 ' HB3' HD23 ' A' ' 8' ' ' LEU . 59.5 m-85 -121.22 140.53 51.9 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.071 -0.968 . . . . 0.63 109.53 176.146 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 36.7 ptt180 -164.98 173.92 11.05 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 116.313 -0.403 . . . . 3.72 110.564 -176.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 19.0 m120 -64.33 160.49 18.75 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.536 -0.756 . . . . 1.9 108.986 171.316 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -48.7 146.36 3.16 Favored 'General case' 0 N--CA 1.464 0.27 0 N-CA-C 112.388 0.514 . . . . 1.18 112.388 -174.616 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -43.05 -64.07 0.69 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.558 -0.746 . . . . 1.94 112.57 -176.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 65.2 m -63.01 -40.24 97.17 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.826 0.822 . . . . 2.82 109.879 177.681 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 122.15 31.0 1.13 Allowed Glycine 0 N--CA 1.446 -0.658 0 CA-C-N 114.963 -1.017 . . . . 1.96 112.057 176.654 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 29.3 mtpp -69.07 143.11 93.88 Favored Pre-proline 0 C--N 1.323 -0.56 0 N-CA-C 109.577 -0.527 . . . . 3.54 109.577 177.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.5 ' O ' ' HB3' ' A' ' 54' ' ' ASP . 87.9 Cg_endo -76.31 142.56 24.15 Favored 'Trans proline' 0 C--O 1.239 0.563 0 C-N-CA 122.509 2.139 . . . . 2.1 111.665 179.625 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.5 ' HB3' ' O ' ' A' ' 53' ' ' PRO . 21.9 t70 83.49 -52.88 0.15 Allowed 'General case' 0 N--CA 1.465 0.279 0 O-C-N 124.302 1.002 . . . . 2.44 109.395 178.237 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 14.6 mmm180 -64.32 135.95 56.69 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.745 -0.661 . . . . 4.72 110.977 172.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.461 ' CE1' ' HB2' ' A' ' 3' ' ' LEU . 57.0 m-85 -116.88 176.94 4.89 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 115.75 -0.659 . . . . 1.39 110.72 179.816 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -135.32 139.24 44.16 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.52 -0.548 . . . . 1.1 109.52 179.291 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 1.6 tmt? -142.16 141.84 32.67 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.229 -0.656 . . . . 1.22 109.229 -178.403 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 50.0 tt0 -144.35 148.83 35.23 Favored 'General case' 0 C--N 1.322 -0.598 0 C-N-CA 120.568 -0.453 . . . . 1.77 111.977 -174.324 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.461 ' OD1' ' HG2' ' A' ' 43' ' ' LYS . 43.4 m-80 -123.84 109.01 13.1 Favored 'General case' 0 CA--C 1.515 -0.385 0 CA-C-N 115.395 -0.821 . . . . 1.55 109.865 179.371 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 80.6 mt -108.72 124.99 51.43 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 110.069 -0.345 . . . . 2.22 110.069 177.172 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.43 HG21 ' HA ' ' A' ' 41' ' ' VAL . 42.6 p -131.21 -175.65 3.76 Favored 'General case' 0 N--CA 1.445 -0.701 0 N-CA-C 109.077 -0.712 . . . . 1.16 109.077 -179.595 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.487 ' OG1' ' HA ' ' A' ' 39' ' ' ALA . 25.0 p -84.16 -27.68 27.93 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-O 121.245 0.545 . . . . 1.14 110.721 179.622 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.471 ' HG2' ' CG1' ' A' ' 35' ' ' VAL . 23.4 tptp -105.21 -22.0 13.15 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.805 -0.634 . . . . 2.64 111.249 -173.026 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.437 ' HB3' ' H ' ' A' ' 66' ' ' ASP . 57.1 mmtt -142.14 -157.43 0.77 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.862 0.363 . . . . 2.34 111.543 -172.155 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.437 ' H ' ' HB3' ' A' ' 65' ' ' LYS . 6.1 p-10 168.17 132.4 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.141 -0.936 . . . . 2.12 109.488 -170.55 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.457 ' OG1' ' HB2' ' A' ' 60' ' ' ASN . 71.9 p -142.62 154.87 44.78 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 108.971 -0.752 . . . . 1.17 108.971 173.673 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 8.8 t-160 -142.61 99.34 3.47 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.035 0.445 . . . . 2.5 110.473 -178.392 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.462 ' CD2' ' HZ ' ' A' ' 92' ' ' PHE . 31.6 m-70 -77.11 84.55 3.6 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 108.659 -0.867 . . . . 0.48 108.659 175.149 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 11.5 ptpt -80.24 123.27 27.8 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.015 -0.539 . . . . 2.79 112.355 -175.344 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.451 ' HA ' ' O ' ' A' ' 56' ' ' TYR . 6.5 p-10 46.91 69.56 0.48 Allowed 'General case' 0 N--CA 1.472 0.67 0 CA-C-N 114.585 -1.189 . . . . 2.07 112.619 175.115 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 62.9 p-90 -104.8 150.44 24.79 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.09 -0.959 . . . . 0.51 109.785 176.175 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.627 ' HB2' ' OG ' ' A' ' 0' ' ' SER . . . -100.15 142.02 32.2 Favored 'General case' 0 C--N 1.314 -0.943 0 N-CA-C 109.776 -0.453 . . . . 1.22 109.776 174.34 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.514 HD11 HD23 ' A' ' 94' ' ' LEU . 1.8 tt -64.46 117.22 7.0 Favored 'General case' 0 C--N 1.315 -0.907 0 N-CA-C 109.39 -0.596 . . . . 2.28 109.39 172.148 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 96.43 19.8 26.76 Favored Glycine 0 N--CA 1.451 -0.362 0 CA-C-N 115.884 -0.598 . . . . 0.66 112.15 -170.17 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.473 ' HB2' ' HB3' ' A' ' 73' ' ' ALA . 10.5 tp10 -107.44 154.02 21.96 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-O 120.981 0.419 . . . . 2.37 110.771 179.489 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.457 ' HA ' ' O ' ' A' ' 90' ' ' ILE . 43.1 tt0 -128.38 108.63 10.73 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.33 -0.85 . . . . 1.4 108.853 177.715 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 53.9 p90 -131.09 159.39 37.74 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.511 -0.313 . . . . 0.69 110.45 -174.239 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 24.2 tt0 -90.44 152.09 21.12 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.429 -0.582 . . . . 2.38 109.429 176.281 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.438 ' O ' ' HA ' ' A' ' 87' ' ' GLN . 10.0 t0 -159.57 174.08 15.15 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.098 -0.705 . . . . 1.26 109.098 -173.836 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.479 ' HB3' ' NE2' ' A' ' 87' ' ' GLN . 9.9 pt-20 -115.7 104.22 11.46 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.859 0.838 . . . . 2.26 109.223 176.44 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -87.26 179.06 6.69 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 114.399 -1.273 . . . . 1.61 113.069 -167.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.484 ' H ' HD23 ' A' ' 83' ' ' LEU . 2.8 mm? -56.45 -29.81 62.13 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 121.17 0.51 . . . . 1.98 110.249 -179.726 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -76.46 10.68 1.94 Allowed 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.128 -0.942 . . . . 1.55 112.498 -174.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 24.9 m 74.57 0.76 3.66 Favored 'General case' 0 N--CA 1.467 0.407 0 N-CA-C 113.486 0.921 . . . . 1.68 113.486 169.312 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 52.5 p -120.33 168.99 10.71 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 119.928 -0.709 . . . . 1.5 111.539 177.336 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.479 ' NE2' ' HB3' ' A' ' 81' ' ' GLU . 0.2 OUTLIER -98.79 127.95 44.87 Favored 'General case' 0 CA--C 1.511 -0.543 0 N-CA-C 108.564 -0.902 . . . . 1.88 108.564 -178.485 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . 0.591 ' CB ' ' HA ' ' A' ' 106' ' ' LYS . 12.6 p80 -154.59 170.68 20.92 Favored 'General case' 0 C--N 1.32 -0.696 0 C-N-CA 120.713 -0.395 . . . . 1.51 111.641 177.173 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.514 ' CG ' ' HB ' ' A' ' 105' ' ' ILE . 6.1 ptpp? -77.62 150.9 34.57 Favored 'General case' 0 N--CA 1.45 -0.425 0 CA-C-N 115.637 -0.711 . . . . 1.95 110.327 -176.673 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.457 ' O ' ' HA ' ' A' ' 77' ' ' GLU . 61.7 mt -142.77 137.56 27.67 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.804 0 CA-C-N 115.442 -0.799 . . . . 1.19 110.367 -176.829 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.447 ' HA ' ' O ' ' A' ' 76' ' ' GLU . 72.8 m -128.5 140.22 51.92 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.785 0.326 . . . . 1.12 111.256 179.818 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.462 ' HZ ' ' CD2' ' A' ' 69' ' ' HIS . 48.5 m-85 -113.12 137.98 50.63 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.059 -0.719 . . . . 0.81 109.059 175.861 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -158.56 146.2 18.0 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.915 0.388 . . . . 1.69 111.321 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.514 HD23 HD11 ' A' ' 74' ' ' LEU . 0.8 OUTLIER -94.51 117.29 29.9 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.141 -0.688 . . . . 1.81 109.141 175.687 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 23.4 ttmm -91.02 -58.52 2.44 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 108.993 -0.743 . . . . 3.48 108.993 -177.016 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.482 ' C ' ' H ' ' A' ' 98' ' ' ASN . 12.6 m-20 -107.56 165.55 12.6 Favored Pre-proline 0 C--N 1.319 -0.724 0 N-CA-C 107.55 -1.278 . . . . 1.79 107.55 172.659 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 16.8 Cg_exo -68.63 14.02 0.2 Allowed 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.935 2.423 . . . . 1.07 112.727 -177.192 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . 0.482 ' H ' ' C ' ' A' ' 96' ' ' ASP . 27.8 p-10 -159.21 26.99 0.2 Allowed 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.931 -0.577 . . . . 2.63 109.624 178.25 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 58.5 m -139.39 110.36 6.83 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 115.658 -0.701 . . . . 1.26 111.194 179.506 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.464 ' HB3' ' HB2' ' A' ' 118' ' ' TYR . 14.1 tp -103.83 133.98 47.91 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.763 -0.653 . . . . 1.78 109.79 177.773 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 14.4 p -113.41 132.63 55.55 Favored 'General case' 0 C--N 1.321 -0.645 0 O-C-N 121.777 -0.577 . . . . 1.11 111.316 -179.694 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -115.19 96.61 5.76 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.701 -0.681 . . . . 1.31 109.508 177.548 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' THR . . . . . 0.45 ' O ' ' HA ' ' A' ' 90' ' ' ILE . 26.8 m -89.03 117.89 28.36 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.833 -0.622 . . . . 1.12 110.691 -174.217 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . 0.53 ' HB3' ' CE1' ' A' ' 88' ' ' HIS . 10.6 m170 -102.05 92.16 4.65 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.297 -0.411 . . . . 2.22 110.335 -179.832 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.514 ' HB ' ' CG ' ' A' ' 89' ' ' LYS . 15.9 mt -90.4 111.92 24.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-O 121.422 0.629 . . . . 1.36 110.725 177.888 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.591 ' HA ' ' CB ' ' A' ' 88' ' ' HIS . 98.6 mttt -61.08 118.11 6.37 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.075 -0.966 . . . . 2.12 111.504 178.598 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 29.5 m -65.65 -23.88 33.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 114.959 -1.018 . . . . 2.03 111.006 179.657 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -82.42 -37.13 25.93 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 116.341 -0.39 . . . . 2.5 110.452 -179.575 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . 0.411 ' O ' ' HB2' ' A' ' 106' ' ' LYS . 15.0 t70 -152.82 100.36 2.73 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.392 0.615 . . . . 2.39 110.275 177.016 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 63.3 Cg_endo -74.01 9.5 1.68 Allowed 'Trans proline' 0 CA--C 1.531 0.344 0 C-N-CA 123.281 2.654 . . . . 0.91 113.969 -177.623 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 63.7 p -110.85 14.83 22.1 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.695 0.76 . . . . 1.91 110.492 176.368 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -130.5 27.6 5.0 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 122.085 0.945 . . . . 1.59 109.099 175.444 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.49 ' CG1' ' HA ' ' A' ' 105' ' ' ILE . 16.9 m -72.52 178.8 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 114.909 -1.041 . . . . 2.17 111.568 -175.64 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.462 ' HB2' ' NH1' ' A' ' 26' ' ' ARG . 8.4 tp10 -162.1 153.02 17.71 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.244 -0.435 . . . . 2.78 110.166 176.582 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 86.7 m -131.17 130.24 42.77 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.265 0.555 . . . . 1.18 110.867 -176.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' TYR . . . . . 0.432 ' HB3' ' CE ' ' A' ' 127' ' ' MET . 9.7 m-30 -95.08 144.69 25.53 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 107.518 -1.29 . . . . 1.49 107.518 174.513 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . 0.532 ' O ' ' HA ' ' A' ' 127' ' ' MET . 37.4 tt0 -129.36 120.02 24.87 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 118.964 0.802 . . . . 1.53 109.268 -175.608 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . 0.464 ' HB2' ' HB3' ' A' ' 100' ' ' LEU . 78.2 m-85 -96.81 108.37 21.03 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.632 -175.546 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 22.7 ttt180 -120.39 152.17 38.27 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.101 -0.499 . . . . 3.96 109.841 178.301 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . 0.486 ' NH2' ' HA ' ' A' ' 123' ' ' ASP . 14.9 mmm180 -98.3 138.95 34.81 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 120.884 0.373 . . . . 2.25 111.259 -179.294 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -130.4 88.97 2.71 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.015 -0.539 . . . . 1.08 109.583 176.749 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 68.25 -95.5 0.36 Allowed Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 120.949 -0.643 . . . . 1.04 111.611 -176.226 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . 0.486 ' HA ' ' NH2' ' A' ' 120' ' ' ARG . 6.2 p-10 -118.71 -2.09 11.0 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.987 0.422 . . . . 2.31 110.667 177.607 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 24.1 m-85 -96.55 143.83 27.18 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.089 -0.505 . . . . 1.17 110.857 -178.707 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -93.59 118.44 31.37 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 107.753 -1.202 . . . . 1.66 107.753 172.514 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 59.6 t -117.2 129.3 73.96 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.819 0 CA-C-O 121.152 0.501 . . . . 1.1 109.833 -173.406 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' MET . . . . . 0.538 ' HB3' ' HB3' ' A' ' 138' ' ' ARG . 23.3 ttm -103.49 138.82 39.68 Favored 'General case' 0 C--N 1.311 -1.068 0 CA-C-N 115.77 -0.65 . . . . 1.4 110.829 -178.858 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 23.8 mmtp -108.5 129.82 55.28 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.543 -0.753 . . . . 2.68 109.431 175.003 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' MET . . . . . 0.546 ' HE1' ' CE1' ' A' ' 22' ' ' TYR . 67.3 mtp -131.91 127.43 36.41 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 107.874 -1.158 . . . . 1.66 107.874 175.666 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' SER . . . . . 0.48 ' HA ' ' O ' ' A' ' 134' ' ' VAL . 7.2 p -139.9 129.98 25.0 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.044 0.45 . . . . 1.5 112.169 -172.199 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' TRP . . . . . 0.429 ' CG ' ' HD2' ' A' ' 26' ' ' ARG . 30.1 t-105 -146.03 131.03 18.23 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.455 -0.793 . . . . 0.88 110.084 178.624 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 59.0 mttp 51.24 43.75 29.13 Favored 'General case' 0 C--N 1.327 -0.371 0 O-C-N 123.677 0.61 . . . . 2.42 111.634 -179.259 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 80.73 -6.23 62.51 Favored Glycine 0 N--CA 1.451 -0.338 0 CA-C-N 115.633 -0.712 . . . . 0.53 113.289 177.609 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . 0.48 ' O ' ' HA ' ' A' ' 130' ' ' SER . 4.3 t -93.54 105.6 17.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.97 0.385 . . . . 1.13 110.479 -179.249 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -99.66 132.07 45.24 Favored 'General case' 0 N--CA 1.438 -1.063 0 CA-C-O 121.171 0.51 . . . . 1.64 110.397 176.801 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 6.1 t -120.43 140.25 51.65 Favored 'General case' 0 C--N 1.31 -1.131 0 CA-C-N 115.537 -0.756 . . . . 1.1 109.571 177.677 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 15.2 m -106.13 117.15 33.3 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.018 0.437 . . . . 1.06 110.233 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . 0.538 ' HB3' ' HB3' ' A' ' 127' ' ' MET . 5.4 tpt180 -97.79 108.22 20.88 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 108.588 -0.893 . . . . 2.41 108.588 179.183 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 92.5 m-85 -91.58 112.9 25.0 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.859 0.362 . . . . 1.03 111.747 -171.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 140' ' ' TYR . . . . . 0.454 ' CE1' HD13 ' A' ' 13' ' ' LEU . 95.3 m-85 -107.83 147.01 31.48 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.824 -0.626 . . . . 0.92 110.942 177.518 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . 0.505 ' HG3' ' O ' ' A' ' 142' ' ' LYS . 17.5 ptpt -127.95 166.43 18.35 Favored 'General case' 0 C--N 1.31 -1.149 0 N-CA-C 107.194 -1.41 . . . . 2.41 107.194 173.676 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . 0.585 ' O ' ' HG2' ' A' ' 12' ' ' LYS . 31.1 mtpp -54.5 165.84 0.52 Allowed 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 119.304 0.956 . . . . 2.59 111.262 173.164 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . 0.677 ' NE2' ' HB3' ' A' ' 12' ' ' LYS . 26.5 mm-40 . . . . . 0 C--O 1.245 0.865 0 O-C-N 121.537 -0.727 . . . . 1.74 110.399 165.117 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1001 ' ' OLA . . . . . 0.583 ' H9 ' ' HA ' ' A' ' 36' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' -11' ' ' MET . . . . . . . . . . . . . 1.9 mpt? . . . . . 0 N--CA 1.481 1.112 0 N-CA-C 110.121 -0.325 . . . . 14.72 110.121 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' -10' ' ' ARG . . . . . . . . . . . . . 53.5 ttt180 -72.22 -35.8 68.97 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.894 -0.41 . . . . 16.38 109.894 177.057 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' -9' ' ' GLY . . . . . . . . . . . . . . . -74.56 134.59 17.96 Favored Glycine 0 N--CA 1.446 -0.668 0 C-N-CA 120.725 -0.75 . . . . 12.05 111.458 178.042 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' -8' ' ' SER . . . . . . . . . . . . . 47.8 m 65.28 -171.36 0.19 Allowed 'General case' 0 C--O 1.234 0.28 0 C-N-CA 122.513 0.325 . . . . 11.72 110.741 -177.746 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' -7' ' ' HIS . . . . . . . . . . . . . 89.6 m-70 62.94 38.83 10.91 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 120.915 0.388 . . . . 12.39 111.279 178.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' -6' ' ' HIS . . . . . . . . . . . . . 18.1 t-80 -79.92 -20.08 46.56 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.979 0.418 . . . . 11.6 110.312 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' -5' ' ' HIS . . . . . . . . . . . . . 44.9 m80 -92.5 31.85 1.29 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.095 0.474 . . . . 9.98 110.298 177.585 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' -4' ' ' HIS . . . . . . . . . . . . . 59.8 t-80 -82.3 73.81 9.31 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.716 -0.674 . . . . 11.3 109.465 178.641 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' -3' ' ' HIS . . . . . . . . . . . . . 33.0 m80 59.02 85.1 0.1 Allowed 'General case' 0 CA--C 1.52 -0.195 0 CA-C-N 115.7 -0.682 . . . . 9.34 110.387 -174.184 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 6.7 t-80 -77.72 56.84 1.55 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.549 0.69 . . . . 7.77 110.429 -177.301 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -133.4 149.58 19.68 Favored Glycine 0 N--CA 1.443 -0.863 0 CA-C-N 115.192 -0.913 . . . . 3.92 110.844 178.063 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 0' ' ' SER . . . . . 0.496 ' OG ' ' HB1' ' A' ' 73' ' ' ALA . 3.6 m -88.72 147.54 24.43 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-O 121.179 0.514 . . . . 3.42 111.174 -175.151 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . 0.45 ' HZ1' ' HB3' ' A' ' 1' ' ' LYS . 6.9 mtpm? -76.26 134.43 39.8 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 107.484 -1.302 . . . . 3.45 107.484 166.852 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.403 HG22 ' HH ' ' A' ' 56' ' ' TYR . 2.8 m -77.33 131.79 38.27 Favored 'General case' 0 C--N 1.316 -0.849 0 C-N-CA 120.685 -0.406 . . . . 1.44 110.916 -172.65 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.48 ' HB2' ' CE1' ' A' ' 56' ' ' TYR . 0.5 OUTLIER -64.36 120.95 69.4 Favored Pre-proline 0 C--N 1.327 -0.401 0 CA-C-N 115.632 -0.713 . . . . 1.33 110.422 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 41.4 Cg_exo -56.49 125.55 19.41 Favored 'Trans proline' 0 N--CA 1.459 -0.522 0 C-N-CA 122.342 2.028 . . . . 0.81 110.432 172.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.422 ' HA ' HD13 ' A' ' 8' ' ' LEU . 4.2 p-10 -57.45 -20.48 30.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.108 -0.496 . . . . 2.19 111.62 -175.393 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 70.7 tttt -64.21 -15.91 60.93 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.39 -0.368 . . . . 3.1 111.555 179.108 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 31.7 m-85 -97.51 -1.55 43.81 Favored 'General case' 0 C--N 1.333 -0.129 0 O-C-N 122.053 -0.404 . . . . 0.74 110.53 176.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.422 HD13 ' HA ' ' A' ' 5' ' ' ASP . 83.1 mt -100.1 150.54 22.38 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.121 0.486 . . . . 1.12 111.083 -174.314 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 133.55 -179.1 17.74 Favored Glycine 0 N--CA 1.446 -0.64 0 CA-C-N 115.467 -0.788 . . . . 0.52 111.997 -178.676 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 56.4 m -110.78 126.82 55.02 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.856 -0.424 . . . . 1.62 109.856 176.666 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 45.1 m-85 -126.91 133.63 50.63 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.429 -0.351 . . . . 0.57 111.127 -175.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.51 ' HD2' ' NE2' ' A' ' 143' ' ' GLN . 21.0 ptmt -93.9 138.4 32.08 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 120.686 -0.405 . . . . 2.65 110.442 172.597 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.449 HD13 ' CZ ' ' A' ' 138' ' ' ARG . 5.4 tt -55.19 121.48 8.91 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.57 -0.286 . . . . 1.79 110.471 175.008 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -94.64 -52.82 4.13 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.315 -0.402 . . . . 2.08 110.376 179.126 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 14.3 ptm180 -163.62 -169.52 1.95 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.275 -0.42 . . . . 3.92 110.037 -177.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -147.18 -174.37 4.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.839 0.352 . . . . 1.19 111.125 -177.384 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -162.6 109.49 1.26 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.779 -0.646 . . . . 2.66 110.085 -179.616 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 3.1 t30 69.27 24.44 5.94 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-O 121.742 0.782 . . . . 0.97 110.711 176.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 76.9 t80 -73.58 -41.41 62.93 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.428 -0.806 . . . . 0.64 111.335 -174.363 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.533 ' OD1' ' HE3' ' A' ' 24' ' ' LYS . 27.9 t70 -57.3 -48.65 78.37 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.92 0.391 . . . . 2.04 110.775 179.256 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -60.32 -35.39 75.52 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.12 -0.491 . . . . 1.79 111.533 178.519 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.705 ' CE1' ' HE1' ' A' ' 129' ' ' MET . 82.7 t80 -60.75 -40.2 91.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.871 0.367 . . . . 1.12 110.644 174.39 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.402 HD21 HG21 ' A' ' 36' ' ' ILE . 96.1 mt -63.89 -38.42 91.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 1.13 110.621 -178.245 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.533 ' HE3' ' OD1' ' A' ' 20' ' ' ASP . 96.9 mttt -61.95 -47.93 82.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.866 -0.606 . . . . 2.43 110.154 178.883 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.93 -36.08 76.26 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.43 -0.805 . . . . 1.2 111.098 179.13 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 19.0 mmm180 -74.9 -11.01 60.03 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.924 -0.58 . . . . 1.71 111.668 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 99.98 11.97 41.37 Favored Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 120.489 -0.863 . . . . 0.62 112.943 176.179 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 94.8 m-85 -84.91 122.04 28.61 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.891 0.377 . . . . 0.99 110.175 177.32 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -78.02 -176.31 45.9 Favored Glycine 0 N--CA 1.445 -0.703 0 CA-C-N 115.664 -0.698 . . . . 1.54 112.014 177.33 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.52 ' O ' ' HG2' ' A' ' 34' ' ' GLN . 42.8 t90 -51.04 -43.48 60.94 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 122.286 0.234 . . . . 1.31 111.625 -178.836 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.547 HD11 ' H ' ' A' ' 31' ' ' ILE . 3.6 mp -56.73 -59.28 3.19 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.774 0 CA-C-O 121.402 0.62 . . . . 2.68 110.004 -175.484 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.704 ' O ' HG12 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -62.89 -40.76 98.54 Favored 'General case' 0 N--CA 1.427 -1.591 0 CA-C-N 115.112 -0.949 . . . . 1.16 110.918 -177.751 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.407 ' O ' ' HE2' ' A' ' 37' ' ' LYS . 46.9 mtm105 -57.31 -30.09 64.47 Favored 'General case' 0 C--N 1.33 -0.243 0 O-C-N 123.201 0.313 . . . . 2.48 110.972 178.844 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.52 ' HG2' ' O ' ' A' ' 30' ' ' TRP . 29.4 mm-40 -66.64 -46.8 74.6 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.303 -0.629 . . . . 2.4 109.303 174.605 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 67.3 t -64.68 -58.6 6.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.162 -0.472 . . . . 1.33 111.11 -177.607 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.704 HG12 ' O ' ' A' ' 32' ' ' MET . 2.3 mm -47.68 -48.25 10.96 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.406 0 CA-C-N 116.017 -0.538 . . . . 1.25 111.975 -177.096 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.407 ' HE2' ' O ' ' A' ' 33' ' ' ARG . 52.3 mtmt -77.28 -32.17 55.3 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.224 -0.444 . . . . 1.62 111.68 -174.593 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 14.8 mt -102.6 32.39 3.64 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.838 0.352 . . . . 2.6 110.991 -176.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -90.75 -85.08 0.23 Allowed 'General case' 0 N--CA 1.447 -0.618 0 CA-C-O 121.119 0.485 . . . . 1.15 111.031 -178.647 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.47 ' O ' ' HA ' ' A' ' 62' ' ' THR . . . 118.8 115.25 2.62 Favored Glycine 0 C--N 1.308 -0.99 0 N-CA-C 110.66 -0.976 . . . . 0.84 110.66 -167.524 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.524 ' HB ' ' CG2' ' A' ' 62' ' ' THR . 0.5 OUTLIER -145.07 136.91 20.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-O 121.482 0.658 . . . . 1.88 111.752 -175.755 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 29.3 m -115.23 125.38 53.29 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 114.826 -1.079 . . . . 1.13 110.301 178.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.705 ' HZ3' ' HH ' ' A' ' 118' ' ' TYR . 74.0 mmtt -88.79 134.31 33.97 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.567 -0.288 . . . . 1.45 110.393 178.583 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.476 ' HB2' ' HB2' ' A' ' 59' ' ' GLU . 51.2 mtpt -129.63 117.06 19.78 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 110.206 -0.294 . . . . 2.46 110.206 177.491 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 74.3 m-85 -118.83 130.19 55.63 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.424 -0.584 . . . . 0.63 109.424 174.68 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 11.2 ptp180 -161.17 167.5 26.01 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.22 0.533 . . . . 3.72 111.612 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.487 ' HA ' ' CD2' ' A' ' 56' ' ' TYR . 7.4 p30 -66.18 146.18 54.94 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 108.145 -1.058 . . . . 1.9 108.145 170.361 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -47.57 117.22 1.72 Allowed 'General case' 0 CA--C 1.519 -0.246 0 CA-C-O 121.075 0.464 . . . . 1.18 111.74 -172.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -46.64 -38.33 9.52 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 114.234 -1.348 . . . . 1.94 113.515 -175.545 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 49.4 m -73.8 14.13 0.42 Allowed 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.671 0.619 . . . . 2.82 112.671 -179.483 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 71.44 22.16 78.61 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.827 -0.702 . . . . 1.96 112.769 178.071 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.402 ' HD2' ' HD2' ' A' ' 53' ' ' PRO . 54.9 tptt -82.89 119.38 74.25 Favored Pre-proline 0 N--CA 1.447 -0.605 0 N-CA-C 109.647 -0.501 . . . . 3.54 109.647 178.297 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.479 ' O ' ' HB3' ' A' ' 54' ' ' ASP . 60.9 Cg_endo -72.68 147.71 45.69 Favored 'Trans proline' 0 C--O 1.238 0.496 0 C-N-CA 122.452 2.101 . . . . 2.1 112.317 -178.666 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.479 ' HB3' ' O ' ' A' ' 53' ' ' PRO . 27.5 t70 82.38 -52.02 0.21 Allowed 'General case' 0 N--CA 1.464 0.27 0 O-C-N 124.306 1.004 . . . . 2.44 109.529 178.47 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 9.8 mpt_? -64.13 141.8 58.64 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.378 -0.828 . . . . 4.72 112.261 173.13 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.487 ' CD2' ' HA ' ' A' ' 47' ' ' ASN . 90.5 m-85 -120.41 169.45 10.3 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.096 -0.956 . . . . 1.39 109.257 174.529 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -136.04 151.04 49.46 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.368 -0.604 . . . . 1.1 109.368 171.559 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.49 ' HE1' ' OD1' ' A' ' 60' ' ' ASN . 1.9 tmt? -143.08 138.41 29.88 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.901 -0.59 . . . . 1.22 110.01 -171.205 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.476 ' HB2' ' HB2' ' A' ' 44' ' ' LYS . 41.9 mt-10 -127.9 151.1 49.49 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.566 0.698 . . . . 1.77 112.812 -175.741 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.49 ' OD1' ' HE1' ' A' ' 58' ' ' MET . 36.9 m-80 -126.49 85.42 2.38 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 114.311 -1.313 . . . . 1.55 108.896 174.479 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 57.8 mt -84.11 108.77 17.22 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 116.127 -0.488 . . . . 2.22 110.516 -178.603 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.524 ' CG2' ' HB ' ' A' ' 41' ' ' VAL . 23.6 p -121.39 -179.22 4.0 Favored 'General case' 0 N--CA 1.445 -0.71 0 CA-C-N 116.248 -0.433 . . . . 1.16 109.869 -176.889 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 26.9 p -86.1 -26.06 25.47 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-N 116.234 -0.439 . . . . 1.14 111.307 -177.621 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 32.2 mmmt -103.81 -17.85 14.89 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.275 -0.421 . . . . 2.64 110.842 -177.072 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.456 ' HA ' ' HE3' ' A' ' 65' ' ' LYS . 0.0 OUTLIER -137.28 -155.22 0.59 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.058 0.456 . . . . 2.34 111.123 -176.821 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.406 ' H ' ' HB3' ' A' ' 65' ' ' LYS . 6.3 p-10 166.4 98.76 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 114.604 -1.18 . . . . 2.12 108.56 -172.123 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.478 ' OG1' ' HB2' ' A' ' 60' ' ' ASN . 45.7 p -120.65 145.92 46.93 Favored 'General case' 0 C--N 1.307 -1.26 0 CA-C-N 115.39 -0.823 . . . . 1.17 110.142 -177.043 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 8.3 t-160 -140.73 91.98 2.47 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-N 115.858 -0.61 . . . . 2.5 109.925 -175.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 7.7 m-70 -68.05 87.33 0.26 Allowed 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 108.397 -0.964 . . . . 0.48 108.397 174.564 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 12.0 ptpt -92.75 125.92 37.59 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 112.347 0.499 . . . . 2.79 112.347 -173.374 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 17.4 t70 64.77 68.48 0.52 Allowed 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 114.977 -1.01 . . . . 2.07 110.94 173.725 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 70.3 p-90 -119.86 152.65 37.01 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.893 -0.594 . . . . 0.51 110.204 176.606 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.496 ' HB1' ' OG ' ' A' ' 0' ' ' SER . . . -115.95 138.09 51.51 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-O 120.78 0.324 . . . . 1.22 110.319 178.732 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.495 HD12 HD12 ' A' ' 94' ' ' LEU . 4.6 tt -56.68 129.6 41.81 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.111 -0.495 . . . . 2.28 110.081 175.536 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.464 ' N ' HD22 ' A' ' 74' ' ' LEU . . . 89.4 -0.64 81.11 Favored Glycine 0 N--CA 1.45 -0.421 0 CA-C-N 115.789 -0.641 . . . . 0.66 112.37 -176.608 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.411 ' HB2' ' O ' ' A' ' 73' ' ' ALA . 51.9 mm-40 -112.42 170.28 8.28 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.328 0.585 . . . . 2.37 110.979 -176.523 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -131.78 131.93 43.35 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.295 -0.866 . . . . 1.4 109.033 -176.222 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 34.9 p90 -136.38 159.6 41.27 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-O 120.612 0.244 . . . . 0.69 110.431 -177.084 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 70.5 mt-30 -91.16 145.59 24.55 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.702 -0.481 . . . . 2.38 109.702 172.695 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.434 ' HB3' HD13 ' A' ' 90' ' ' ILE . 7.8 t70 -167.59 165.19 14.62 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 115.682 -0.69 . . . . 1.26 109.686 -174.356 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.428 ' HA ' ' HA ' ' A' ' 87' ' ' GLN . 35.2 tt0 -98.96 118.89 36.76 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.188 -0.671 . . . . 2.26 109.188 179.73 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.56 ' HB3' ' OD1' ' A' ' 84' ' ' ASP . . . -96.1 178.46 5.4 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.528 -0.76 . . . . 1.61 112.348 -173.359 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -63.39 -16.64 61.1 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.338 -0.392 . . . . 1.98 111.227 -177.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.56 ' OD1' ' HB3' ' A' ' 82' ' ' ALA . 6.8 p-10 -80.25 14.82 1.77 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.352 -0.385 . . . . 1.55 110.996 177.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 53.3 m 75.5 -32.03 0.21 Allowed 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 124.153 0.981 . . . . 1.68 112.712 169.47 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 11.9 p -90.83 165.69 13.49 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 120.827 0.346 . . . . 1.5 110.176 174.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.428 ' HA ' ' HA ' ' A' ' 81' ' ' GLU . 3.9 pt20 -109.69 152.69 25.28 Favored 'General case' 0 CA--C 1.503 -0.836 0 C-N-CA 120.496 -0.482 . . . . 1.88 109.973 -179.774 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . 0.693 ' HB2' ' O ' ' A' ' 105' ' ' ILE . 4.3 p80 -169.05 -172.52 1.56 Allowed 'General case' 0 C--N 1.313 -0.978 0 CA-C-N 115.615 -0.72 . . . . 1.51 111.232 -176.526 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 18.9 ptmt -78.32 142.3 37.83 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-O 120.993 0.425 . . . . 1.95 110.378 -177.135 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.434 HD13 ' HB3' ' A' ' 80' ' ' ASP . 65.4 mt -141.15 124.56 16.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 115.36 -0.836 . . . . 1.19 110.373 -179.356 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 6.1 m -107.94 133.78 51.79 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-O 120.965 0.412 . . . . 1.12 110.49 177.114 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -116.07 130.03 56.62 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.045 -0.724 . . . . 0.81 109.045 175.532 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -170.44 173.66 5.51 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 109.153 -0.684 . . . . 1.69 109.153 -176.769 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.495 HD12 HD12 ' A' ' 74' ' ' LEU . 2.9 mp -109.86 132.22 54.35 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.289 0.566 . . . . 1.81 111.185 -177.356 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 4.7 tmmm? -87.42 -39.67 15.05 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.086 -0.961 . . . . 3.48 108.56 179.035 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.436 ' C ' ' H ' ' A' ' 98' ' ' ASN . 3.8 p30 -145.81 161.62 39.48 Favored Pre-proline 0 C--N 1.323 -0.577 0 N-CA-C 107.714 -1.217 . . . . 1.79 107.714 172.589 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_exo -62.64 8.33 0.12 Allowed 'Trans proline' 0 N--CA 1.481 0.778 0 C-N-CA 123.581 2.854 . . . . 1.07 114.258 -174.57 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . 0.436 ' H ' ' C ' ' A' ' 96' ' ' ASP . 20.1 t-20 -126.77 -10.57 6.11 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.555 0.217 . . . . 2.63 110.679 179.52 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 16.1 m -129.29 113.33 14.87 Favored 'General case' 0 C--O 1.236 0.389 0 N-CA-C 112.647 0.61 . . . . 1.26 112.647 -174.474 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.451 ' HB3' ' HB2' ' A' ' 118' ' ' TYR . 0.7 OUTLIER -77.61 148.54 35.07 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 107.672 -1.233 . . . . 1.78 107.672 169.002 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' THR . . . . . 0.497 HG21 ' HG2' ' A' ' 117' ' ' GLU . 17.0 p -129.15 135.7 49.21 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 118.689 0.677 . . . . 1.11 111.431 176.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 75.5 tt0 -117.25 109.05 16.38 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.512 -0.767 . . . . 1.31 109.928 176.61 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 43.0 m -106.9 119.75 40.2 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.892 -0.41 . . . . 1.12 109.892 179.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . 0.519 ' HB2' ' CE1' ' A' ' 88' ' ' HIS . 25.4 p80 -119.64 128.3 53.72 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 120.35 -0.54 . . . . 2.22 111.059 179.153 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.693 ' O ' ' HB2' ' A' ' 88' ' ' HIS . 53.0 mt -129.84 132.99 65.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.404 -0.817 . . . . 1.36 109.973 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.567 ' HA ' ' CB ' ' A' ' 88' ' ' HIS . 46.5 mttp -63.39 119.82 10.44 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.282 0.563 . . . . 2.12 112.314 -179.707 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.424 HG13 ' HA ' ' A' ' 88' ' ' HIS . 29.9 m -59.93 -29.94 44.34 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.232 0 CA-C-N 114.893 -1.049 . . . . 2.03 110.71 176.148 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -75.12 -60.31 2.35 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.217 -0.901 . . . . 2.5 110.284 179.517 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . 0.457 ' C ' ' H ' ' A' ' 111' ' ' THR . 3.3 m-20 -133.37 99.64 14.42 Favored Pre-proline 0 C--N 1.319 -0.739 0 CA-C-N 115.34 -0.846 . . . . 2.39 109.999 179.549 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -67.73 14.55 0.15 Allowed 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 124.011 3.141 . . . . 0.91 113.148 -178.159 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' THR . . . . . 0.457 ' H ' ' C ' ' A' ' 109' ' ' ASP . 28.7 p -71.5 -32.38 68.16 Favored 'General case' 0 N--CA 1.443 -0.777 0 N-CA-C 109.232 -0.655 . . . . 1.91 109.232 174.687 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -83.62 103.99 13.38 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 114.986 -1.006 . . . . 1.59 110.397 174.634 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.416 HG21 HG12 ' A' ' 105' ' ' ILE . 24.2 t -124.39 132.24 71.62 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.297 0 N-CA-C 108.966 -0.753 . . . . 2.17 108.966 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.502 ' HB3' ' NE2' ' A' ' 104' ' ' HIS . 40.8 tt0 -152.13 145.35 24.66 Favored 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 120.713 -0.395 . . . . 2.78 110.718 177.198 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 30.8 m -131.54 130.38 42.24 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.051 -0.522 . . . . 1.18 111.261 -178.198 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' TYR . . . . . 0.44 ' HB3' ' CE ' ' A' ' 127' ' ' MET . 20.2 m-85 -104.3 154.42 19.83 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 107.54 -1.281 . . . . 1.49 107.54 172.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . 0.497 ' HG2' HG21 ' A' ' 101' ' ' THR . 31.7 mt-10 -132.79 129.25 38.32 Favored 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 108.642 -0.873 . . . . 1.53 108.642 179.41 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . 0.705 ' HH ' ' HZ3' ' A' ' 43' ' ' LYS . 76.1 m-85 -109.98 98.65 7.9 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.772 0.32 . . . . 1.0 111.0 -176.643 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 2.6 ptp180 -117.37 167.35 11.33 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.067 0.46 . . . . 3.96 111.303 179.448 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 11.8 mmm180 -121.96 119.36 31.28 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.117 -0.492 . . . . 2.25 110.669 179.746 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -101.95 -11.28 19.09 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.638 0.732 . . . . 1.08 109.521 175.331 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -179.85 -131.3 1.61 Allowed Glycine 0 N--CA 1.447 -0.579 0 CA-C-N 115.141 -0.936 . . . . 1.04 111.062 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -88.24 24.24 1.93 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.057 0.456 . . . . 2.31 110.96 178.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 82.7 m-85 -128.92 138.16 51.84 Favored 'General case' 0 N--CA 1.444 -0.754 0 N-CA-C 109.234 -0.654 . . . . 1.17 109.234 -179.156 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -76.33 102.38 5.88 Favored 'General case' 0 N--CA 1.436 -1.166 0 N-CA-C 107.088 -1.449 . . . . 1.66 107.088 171.766 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 19.1 t -94.85 103.98 15.3 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.866 0 N-CA-C 108.545 -0.909 . . . . 1.1 108.545 -173.471 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' MET . . . . . 0.497 ' SD ' ' HE3' ' A' ' 43' ' ' LYS . 28.1 ttt -95.43 140.85 29.71 Favored 'General case' 0 C--N 1.302 -1.487 0 CA-C-N 114.521 -1.218 . . . . 1.4 109.771 -172.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . 0.433 ' HB3' ' HB2' ' A' ' 117' ' ' GLU . 47.4 tttm -125.95 136.87 53.51 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-O 120.931 0.396 . . . . 2.68 110.062 -176.345 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' MET . . . . . 0.705 ' HE1' ' CE1' ' A' ' 22' ' ' TYR . 44.8 mtp -137.27 130.74 31.31 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 108.496 -0.927 . . . . 1.66 108.496 179.681 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 8.1 p -141.92 132.26 25.05 Favored 'General case' 0 C--N 1.323 -0.586 0 C-N-CA 120.518 -0.473 . . . . 1.5 111.983 -177.185 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' TRP . . . . . . . . . . . . . 56.8 t-105 -147.51 132.88 18.54 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.51 -0.768 . . . . 0.88 110.109 177.334 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 68.1 mttm 54.11 37.48 27.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.685 -0.689 . . . . 2.42 111.604 -178.072 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 85.47 -27.96 4.99 Favored Glycine 0 N--CA 1.451 -0.323 0 CA-C-N 115.999 -0.546 . . . . 0.53 113.094 -179.608 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 16.4 t -76.77 108.43 9.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 120.927 0.394 . . . . 1.13 110.034 -178.083 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 32.1 t -109.13 159.5 16.84 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.788 0.804 . . . . 1.64 110.81 -179.702 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' THR . . . . . 0.447 ' CG2' ' HB2' ' A' ' 129' ' ' MET . 4.7 t -142.06 141.62 32.78 Favored 'General case' 0 C--N 1.307 -1.269 0 CA-C-N 114.275 -1.33 . . . . 1.1 110.758 -179.355 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -102.67 101.29 11.4 Favored 'General case' 0 N--CA 1.446 -0.631 0 N-CA-C 109.159 -0.682 . . . . 1.06 109.159 174.817 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . 0.479 ' HB3' ' HB3' ' A' ' 127' ' ' MET . 16.2 tpt180 -85.56 103.12 14.12 Favored 'General case' 0 C--N 1.317 -0.845 0 N-CA-C 108.749 -0.834 . . . . 2.41 108.749 -178.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 -85.63 110.2 19.1 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.113 0.482 . . . . 1.03 111.902 -171.704 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 86.2 m-85 -106.18 127.79 53.46 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.727 -0.67 . . . . 0.92 109.963 173.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . 0.482 ' HD3' ' O ' ' A' ' 142' ' ' LYS . 0.0 OUTLIER -108.51 158.7 17.31 Favored 'General case' 0 C--O 1.21 -1.004 0 N-CA-C 108.062 -1.088 . . . . 2.41 108.062 178.619 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . 0.482 ' O ' ' HD3' ' A' ' 141' ' ' LYS . 78.3 tttt -47.41 162.29 0.07 Allowed 'General case' 0 CA--C 1.546 0.8 0 CA-C-O 121.896 0.855 . . . . 2.59 113.075 -178.443 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . 0.51 ' NE2' ' HD2' ' A' ' 12' ' ' LYS . 3.6 mm-40 . . . . . 0 C--O 1.246 0.889 0 O-C-N 121.328 -0.857 . . . . 1.74 110.263 159.042 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1001 ' ' OLA . . . . . 0.557 H182 HG21 ' A' ' 36' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' -11' ' ' MET . . . . . . . . . . . . . 71.9 mtm . . . . . 0 N--CA 1.48 1.042 0 CA-C-O 120.9 0.381 . . . . 14.72 110.672 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' -10' ' ' ARG . . . . . . . . . . . . . 33.0 mmt180 -112.39 83.76 1.86 Allowed 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.573 -0.528 . . . . 16.38 109.573 178.29 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' -9' ' ' GLY . . . . . . . . . . . . . . . 96.52 123.63 4.45 Favored Glycine 0 N--CA 1.445 -0.754 0 C-N-CA 120.802 -0.713 . . . . 12.05 111.93 -178.691 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' -8' ' ' SER . . . . . . . . . . . . . 4.8 p -80.48 86.04 5.84 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.089 0.471 . . . . 11.72 110.797 -179.376 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' -7' ' ' HIS . . . . . . . . . . . . . 26.7 m-70 -79.43 75.53 6.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.074 -0.512 . . . . 12.39 110.755 -179.169 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' -6' ' ' HIS . . . . . . . . . . . . . 21.8 t60 -78.61 -33.06 47.7 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.047 -0.723 . . . . 11.6 109.047 176.33 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' -5' ' ' HIS . . . . . . . . . . . . . 76.6 m80 -88.3 109.0 19.61 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.458 -0.792 . . . . 9.98 109.458 175.681 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' -4' ' ' HIS . . . . . . . . . . . . . 36.8 m80 -92.91 -59.76 1.97 Allowed 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 116.329 -0.396 . . . . 11.3 110.275 -178.628 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' -3' ' ' HIS . . . . . . . . . . . . . 8.4 p-80 -164.75 147.76 8.65 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.904 -0.589 . . . . 9.34 110.335 -178.588 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 17.5 p80 -154.85 -31.02 0.1 Allowed 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.075 -0.511 . . . . 7.77 110.46 176.176 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 68.56 -94.33 0.34 Allowed Glycine 0 N--CA 1.45 -0.382 0 N-CA-C 111.272 -0.731 . . . . 3.92 111.272 -176.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 22.4 m -73.85 148.91 41.93 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 108.852 -0.795 . . . . 3.42 108.852 171.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . 0.628 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 39.2 mttp -85.35 101.96 13.01 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 109.312 -0.625 . . . . 3.45 109.312 178.649 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 19.3 m -57.21 142.4 43.08 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 123.536 0.522 . . . . 1.44 110.039 -176.414 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.466 ' HB2' ' CE1' ' A' ' 56' ' ' TYR . 0.2 OUTLIER -60.32 117.32 23.16 Favored Pre-proline 0 C--O 1.234 0.244 0 O-C-N 123.331 0.395 . . . . 1.33 111.067 -174.065 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.415 ' HD2' HD21 ' A' ' 3' ' ' LEU . 44.8 Cg_exo -56.99 122.2 11.42 Favored 'Trans proline' 0 N--CA 1.461 -0.434 0 C-N-CA 122.922 2.414 . . . . 0.81 111.291 174.159 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -55.05 -24.36 24.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.616 -0.72 . . . . 2.19 111.663 -177.335 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.456 ' HZ2' ' HB3' ' A' ' 6' ' ' LYS . 0.2 OUTLIER -61.15 -14.73 26.85 Favored 'General case' 0 CA--C 1.534 0.361 0 N-CA-C 112.53 0.567 . . . . 3.1 112.53 178.442 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.453 ' HZ ' ' C ' ' A' ' 98' ' ' ASN . 24.0 m-85 -96.91 -3.46 41.84 Favored 'General case' 0 C--N 1.33 -0.268 0 O-C-N 121.932 -0.48 . . . . 0.74 111.222 179.014 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.445 HD23 ' HB3' ' A' ' 45' ' ' PHE . 97.2 mt -92.86 149.84 21.0 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.285 0.564 . . . . 1.12 111.889 -170.646 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 128.0 170.35 12.81 Favored Glycine 0 N--CA 1.442 -0.919 0 CA-C-N 115.195 -0.911 . . . . 0.52 111.568 -179.137 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.423 HG21 ' HG2' ' A' ' 44' ' ' LYS . 57.0 m -101.24 123.55 45.53 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 109.347 -0.612 . . . . 1.62 109.347 175.578 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.478 ' HA ' ' HA ' ' A' ' 142' ' ' LYS . 55.6 m-85 -116.02 138.08 51.54 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.574 -0.284 . . . . 0.57 111.536 -174.095 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' ' 141' ' ' LYS . 14.6 ptmm? -84.47 -165.97 1.32 Allowed 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 109.266 -0.642 . . . . 2.65 109.266 165.491 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.5 tt -121.71 125.23 46.13 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 107.852 -1.166 . . . . 1.79 107.852 -176.27 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -92.94 -57.62 2.59 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.723 0.297 . . . . 2.08 110.753 179.109 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 23.3 ptt180 -156.41 179.37 9.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.994 0.426 . . . . 3.92 110.97 -176.358 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -138.32 172.31 13.1 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.733 -0.667 . . . . 1.19 110.05 178.691 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -153.64 118.7 5.08 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.496 -0.32 . . . . 2.66 110.979 -177.454 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 5.6 t30 63.31 29.27 15.79 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-O 121.761 0.791 . . . . 0.97 110.775 174.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.449 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 4.6 t80 -80.88 -33.91 33.98 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.451 -0.795 . . . . 0.64 110.513 -176.35 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.507 ' O ' ' HG3' ' A' ' 24' ' ' LYS . 2.1 m-20 -53.08 -57.69 9.55 Favored 'General case' 0 CA--C 1.515 -0.367 0 N-CA-C 109.865 -0.421 . . . . 2.04 109.865 172.372 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.43 ' HA ' ' HD2' ' A' ' 24' ' ' LYS . 8.9 mp0 -51.26 -44.62 61.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.314 -0.857 . . . . 1.79 111.5 178.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.793 ' CE1' ' HE2' ' A' ' 129' ' ' MET . 78.1 t80 -59.28 -44.56 92.46 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 116.432 -0.349 . . . . 1.12 111.079 177.007 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.449 ' HG ' ' O ' ' A' ' 19' ' ' PHE . 97.2 mt -66.85 -35.58 80.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.964 0.411 . . . . 1.13 110.008 -177.524 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.507 ' HG3' ' O ' ' A' ' 20' ' ' ASP . 94.3 mttt -61.32 -52.61 63.94 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.759 -0.655 . . . . 2.43 109.89 175.697 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.37 -36.77 69.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.169 -0.923 . . . . 1.2 111.208 177.631 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 8.9 mmm180 -67.08 -18.66 65.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.763 -0.653 . . . . 1.71 111.521 179.641 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 106.8 -1.3 36.12 Favored Glycine 0 N--CA 1.447 -0.624 0 C-N-CA 120.485 -0.864 . . . . 0.62 113.17 179.381 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.452 ' HH ' H151 ' A' 1001 ' ' OLA . 72.7 m-85 -69.85 112.12 6.06 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.243 0.544 . . . . 0.99 109.824 179.374 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -62.83 -55.65 25.63 Favored Glycine 0 C--N 1.333 0.38 0 CA-C-N 114.617 -1.174 . . . . 1.54 113.868 -172.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 87.6 t90 -167.04 -58.22 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 117.229 0.515 . . . . 1.31 111.36 -179.203 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -51.81 -50.71 31.5 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.155 0 O-C-N 123.319 0.387 . . . . 2.68 111.885 -178.024 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 55.4 mmm -59.03 -36.85 75.68 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.115 -0.493 . . . . 1.16 111.539 178.746 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.484 ' NH1' ' HG2' ' A' ' 24' ' ' LYS . 16.6 mtm180 -67.71 -24.63 65.41 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.008 0.432 . . . . 2.48 110.073 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.572 ' O ' HD21 ' A' ' 38' ' ' LEU . 29.8 mm-40 -77.29 -31.17 54.62 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.892 -0.594 . . . . 2.4 110.214 177.353 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.482 ' CG1' ' HG3' ' A' ' 64' ' ' LYS . 94.6 t -84.06 -63.33 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-O 120.806 0.336 . . . . 1.33 111.25 -179.364 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.583 ' HA ' ' H9 ' ' A' 1001 ' ' OLA . 88.6 mt -41.39 -46.07 0.8 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.486 0 C-N-CA 124.275 1.03 . . . . 1.25 113.656 179.672 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 43.7 mtmt -74.55 -25.85 59.58 Favored 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 112.177 0.436 . . . . 1.62 112.177 -176.642 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.572 HD21 ' O ' ' A' ' 34' ' ' GLN . 4.5 mm? -95.1 7.92 44.62 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.175 0.512 . . . . 2.6 110.754 -174.309 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -85.24 117.27 24.08 Favored 'General case' 0 N--CA 1.444 -0.77 0 CA-C-N 115.747 -0.66 . . . . 1.15 110.114 177.027 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.649 ' O ' ' HA ' ' A' ' 62' ' ' THR . . . -68.4 119.49 10.4 Favored Glycine 0 N--CA 1.445 -0.736 0 N-CA-C 110.649 -0.98 . . . . 0.84 110.649 173.7 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 51.9 t -109.18 120.51 60.64 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.761 0 CA-C-O 121.026 0.441 . . . . 1.88 111.097 -172.786 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.433 ' HB ' ' HB2' ' A' ' 61' ' ' LEU . 90.0 m -104.44 102.57 12.22 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.785 -0.643 . . . . 1.13 109.371 173.539 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 15.0 tppt? -81.06 123.15 28.14 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.895 -0.593 . . . . 1.45 109.804 -178.443 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.491 ' O ' ' HG2' ' A' ' 58' ' ' MET . 89.8 mttt -119.28 122.07 41.05 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 111.899 0.333 . . . . 2.46 111.899 -176.821 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.445 ' HB3' HD23 ' A' ' 8' ' ' LEU . 76.0 m-85 -123.02 137.5 54.93 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.005 -0.739 . . . . 0.63 109.005 168.116 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.519 ' HG3' ' HB3' ' A' ' 57' ' ' ASP . 1.0 OUTLIER -161.4 157.78 25.76 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.955 0.407 . . . . 3.72 111.042 -173.469 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 17.6 m120 -64.81 144.09 57.49 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 108.83 -0.804 . . . . 1.9 108.83 172.043 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.74 141.34 58.8 Favored 'General case' 0 CA--C 1.514 -0.412 0 CA-C-O 121.695 0.759 . . . . 1.18 110.735 -175.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.25 -28.53 68.79 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 114.377 -1.283 . . . . 1.94 111.113 -172.103 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 5.9 m -58.3 -9.14 1.37 Allowed 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 112.759 0.652 . . . . 2.82 112.759 174.58 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 68.52 29.6 72.97 Favored Glycine 0 C--N 1.334 0.419 0 C-N-CA 120.98 -0.629 . . . . 1.96 112.672 179.719 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 30.7 mtpp -106.57 145.08 30.31 Favored Pre-proline 0 C--N 1.324 -0.528 0 CA-C-O 120.801 0.334 . . . . 3.54 110.805 -177.35 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.526 ' O ' ' HB3' ' A' ' 54' ' ' ASP . 74.4 Cg_endo -73.29 147.25 41.65 Favored 'Trans proline' 0 C--O 1.237 0.437 0 C-N-CA 122.915 2.41 . . . . 2.1 111.576 179.608 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.526 ' HB3' ' O ' ' A' ' 53' ' ' PRO . 0.9 OUTLIER 78.52 -41.51 0.3 Allowed 'General case' 0 N--CA 1.467 0.423 0 O-C-N 123.871 0.732 . . . . 2.44 110.491 178.621 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 21.8 mmt180 -67.42 127.65 33.5 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-O 121.644 0.735 . . . . 4.72 111.115 171.671 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.466 ' CE1' ' HB2' ' A' ' 3' ' ' LEU . 83.1 m-85 -126.64 174.06 9.0 Favored 'General case' 0 C--N 1.31 -1.117 0 CA-C-N 114.908 -1.042 . . . . 1.39 109.901 175.572 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.635 ' OD2' ' HA ' ' A' ' 70' ' ' LYS . 16.4 t70 -133.68 146.9 51.27 Favored 'General case' 0 C--N 1.315 -0.892 0 N-CA-C 108.801 -0.814 . . . . 1.1 108.801 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.491 ' HG2' ' O ' ' A' ' 44' ' ' LYS . 1.4 tmt? -149.27 136.85 20.25 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 121.037 -0.265 . . . . 1.22 110.734 -173.335 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.435 ' HG2' ' HA ' ' A' ' 68' ' ' HIS . 47.9 mt-10 -135.74 155.16 50.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.503 0.668 . . . . 1.77 112.534 -176.862 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.567 ' HB2' ' OG1' ' A' ' 67' ' ' THR . 83.1 m-20 -127.77 98.06 5.05 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 114.571 -1.195 . . . . 1.55 109.65 176.786 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.433 ' HB2' ' HB ' ' A' ' 42' ' ' THR . 84.0 mt -96.48 132.45 42.03 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 109.964 -0.384 . . . . 2.22 109.964 177.667 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.649 ' HA ' ' O ' ' A' ' 40' ' ' GLY . 44.4 p -135.42 -154.05 0.55 Allowed 'General case' 0 N--CA 1.448 -0.536 0 CA-C-N 116.543 -0.298 . . . . 1.16 110.4 -176.445 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 47.8 p -106.24 -32.92 7.98 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 121.414 0.626 . . . . 1.14 110.733 179.303 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.482 ' HG3' ' CG1' ' A' ' 35' ' ' VAL . 10.0 mmpt? -106.56 -11.91 15.75 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.865 -0.607 . . . . 2.64 111.327 -174.471 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.498 ' HE3' ' O ' ' A' ' 82' ' ' ALA . 4.5 tmtt? -146.2 -150.67 0.34 Allowed 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.118 0.485 . . . . 2.34 110.808 -176.686 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.419 ' H ' ' HB3' ' A' ' 65' ' ' LYS . 3.8 p30 161.58 123.42 0.0 OUTLIER 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 114.32 -1.309 . . . . 2.12 108.263 -171.285 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.567 ' OG1' ' HB2' ' A' ' 60' ' ' ASN . 49.3 p -136.48 141.07 43.47 Favored 'General case' 0 C--N 1.315 -0.92 0 N-CA-C 108.701 -0.852 . . . . 1.17 108.701 178.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.435 ' HA ' ' HG2' ' A' ' 59' ' ' GLU . 0.4 OUTLIER -138.69 91.44 2.53 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 122.064 0.935 . . . . 2.5 111.666 -169.97 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 2.9 m-70 -68.76 85.72 0.32 Allowed 'General case' 0 C--N 1.313 -0.982 0 CA-C-N 114.806 -1.088 . . . . 0.48 109.66 177.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.635 ' HA ' ' OD2' ' A' ' 57' ' ' ASP . 30.7 mtmt -79.43 118.92 21.76 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.762 0.653 . . . . 2.79 112.762 -175.493 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 9.1 t70 59.06 77.73 0.29 Allowed 'General case' 0 N--CA 1.469 0.518 0 O-C-N 123.875 0.734 . . . . 2.07 111.632 168.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 66.7 p-90 -125.05 163.2 22.88 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.17 -0.468 . . . . 0.51 111.138 -178.705 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.515 ' O ' ' HB3' ' A' ' 76' ' ' GLU . . . -124.71 150.35 46.27 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.964 -0.562 . . . . 1.22 110.276 172.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.628 ' HG ' ' O ' ' A' ' 1' ' ' LYS . 0.0 OUTLIER -67.55 140.68 56.98 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-O 121.657 0.741 . . . . 2.28 109.788 170.524 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 84.74 2.54 88.62 Favored Glycine 0 C--N 1.312 -0.76 0 CA-C-N 115.021 -0.991 . . . . 0.66 112.09 -169.735 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.515 ' HB3' ' O ' ' A' ' 73' ' ' ALA . 43.0 tt0 -107.17 150.71 26.31 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 121.153 0.501 . . . . 2.37 111.364 -177.208 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.462 ' HG3' ' HG1' ' A' ' 91' ' ' THR . 32.4 tt0 -120.67 118.54 30.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.291 -0.868 . . . . 1.4 109.142 178.866 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 38.5 p90 -139.34 159.7 41.55 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.532 0.206 . . . . 0.69 110.763 -175.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 54.5 tt0 -92.75 152.86 19.25 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.482 -0.326 . . . . 2.38 110.393 178.669 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -166.74 175.9 7.52 Favored 'General case' 0 C--O 1.236 0.36 0 N-CA-C 109.726 -0.472 . . . . 1.26 109.726 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.406 ' HG2' HE22 ' A' ' 87' ' ' GLN . 16.9 mt-10 -80.2 128.57 33.68 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.946 -0.391 . . . . 2.26 109.946 -179.423 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.498 ' O ' ' HE3' ' A' ' 65' ' ' LYS . . . -80.56 153.92 27.78 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 116.041 -0.527 . . . . 1.61 111.428 173.839 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.448 ' H ' HD23 ' A' ' 83' ' ' LEU . 3.1 mm? -58.43 -24.81 61.19 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 122.208 1.004 . . . . 1.98 109.1 171.071 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -81.05 1.76 30.06 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 113.762 -1.563 . . . . 1.55 111.134 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 55.9 m 67.14 42.73 2.26 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 115.356 -0.838 . . . . 1.68 112.316 178.019 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 1.9 p -127.55 160.44 31.54 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.851 -0.613 . . . . 1.5 110.139 173.46 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.466 ' O ' HG21 ' A' ' 107' ' ' VAL . 25.8 mm-40 -91.97 81.08 5.13 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.106 -0.701 . . . . 1.88 109.106 -178.293 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . 0.458 ' CD2' ' HB2' ' A' ' 104' ' ' HIS . 9.6 p-80 -101.75 155.26 18.23 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.276 -0.875 . . . . 1.51 112.637 -160.567 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 20.3 ttmm -72.83 140.8 47.86 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 114.853 -1.067 . . . . 1.95 110.919 176.573 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 63.7 mt -132.66 145.65 34.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 116.139 -0.482 . . . . 1.19 110.401 177.301 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.462 ' HG1' ' HG3' ' A' ' 77' ' ' GLU . 49.1 m -135.28 129.29 33.33 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 116.356 -0.384 . . . . 1.12 109.974 170.842 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -108.51 138.53 44.66 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 108.875 -0.787 . . . . 0.81 108.875 177.214 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -161.02 145.85 13.92 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 110.015 -0.365 . . . . 1.69 110.015 -178.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.447 ' HB2' ' HB2' ' A' ' 1' ' ' LYS . 2.7 mm? -88.95 118.3 28.57 Favored 'General case' 0 C--N 1.317 -0.84 0 N-CA-C 109.247 -0.649 . . . . 1.81 109.247 175.683 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 52.4 tttp -92.1 -53.84 4.08 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 108.814 -0.81 . . . . 3.48 108.814 -175.601 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.423 ' C ' ' H ' ' A' ' 98' ' ' ASN . 15.4 m-20 -123.46 163.05 36.75 Favored Pre-proline 0 C--N 1.32 -0.707 0 N-CA-C 108.201 -1.037 . . . . 1.79 108.201 173.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_exo -67.71 4.39 1.42 Allowed 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.998 2.465 . . . . 1.07 112.386 -176.271 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . 0.453 ' C ' ' HZ ' ' A' ' 7' ' ' PHE . 54.6 m-80 -142.58 24.57 1.89 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.521 -0.763 . . . . 2.63 109.975 178.828 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 55.5 m -152.33 108.31 3.37 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 121.22 0.533 . . . . 1.26 111.766 179.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -82.63 151.81 26.15 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 107.884 -1.154 . . . . 1.78 107.884 171.179 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' THR . . . . . 0.451 HG22 ' HG2' ' A' ' 117' ' ' GLU . 19.6 p -129.51 136.17 49.52 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 118.925 0.784 . . . . 1.11 111.507 175.589 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -118.41 103.07 9.42 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.67 -0.695 . . . . 1.31 109.685 174.35 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 36.1 m -85.98 101.92 13.33 Favored 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 108.904 -0.776 . . . . 1.12 108.904 176.587 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . 0.458 ' HB2' ' CD2' ' A' ' 88' ' ' HIS . 6.5 p80 -102.92 106.35 16.88 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.696 0.76 . . . . 2.22 110.71 -175.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 10.9 mt -99.17 121.48 49.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 114.41 -1.268 . . . . 1.36 111.695 -174.74 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -62.56 112.74 2.61 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.02 -0.536 . . . . 2.12 110.681 171.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.466 HG21 ' O ' ' A' ' 87' ' ' GLN . 14.6 m -63.67 -18.96 23.23 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 115.507 -0.769 . . . . 2.03 111.782 176.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -73.04 -44.77 60.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.321 0.581 . . . . 2.5 110.208 178.034 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -151.88 102.23 2.85 Favored Pre-proline 0 C--N 1.323 -0.548 0 CA-C-N 115.23 -0.896 . . . . 2.39 109.06 177.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -74.2 19.98 0.42 Allowed 'Trans proline' 0 C--N 1.33 -0.437 0 C-N-CA 123.239 2.626 . . . . 0.91 114.283 -175.059 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 62.7 p -113.46 -7.88 13.41 Favored 'General case' 0 C--N 1.328 -0.327 0 O-C-N 121.931 -0.48 . . . . 1.91 110.659 172.129 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -102.08 29.27 5.17 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 122.101 0.953 . . . . 1.59 109.306 177.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 17.7 m -82.44 -175.36 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 114.88 -1.054 . . . . 2.17 111.699 -172.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.51 ' HG3' ' OH ' ' A' ' 22' ' ' TYR . 0.0 OUTLIER -167.06 170.21 12.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.95 -0.568 . . . . 2.78 110.712 174.744 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 90.5 m -135.77 132.93 37.41 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.063 -0.517 . . . . 1.18 111.126 -178.714 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' TYR . . . . . 0.505 ' HB3' ' SD ' ' A' ' 127' ' ' MET . 36.5 m-85 -91.99 150.84 20.78 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 107.477 -1.305 . . . . 1.49 107.477 172.006 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . 0.451 ' HG2' HG22 ' A' ' 101' ' ' THR . 28.4 mt-10 -131.46 99.77 4.93 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 107.696 -1.224 . . . . 1.53 107.696 174.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 89.8 m-85 -80.57 97.62 7.26 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.682 -175.338 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . 0.484 ' HG3' ' HB ' ' A' ' 126' ' ' VAL . 2.9 ptp180 -102.95 157.94 16.63 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.967 -0.56 . . . . 3.96 110.214 177.769 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 11.6 tpt180 -108.52 114.25 27.92 Favored 'General case' 0 C--N 1.317 -0.825 0 N-CA-C 109.529 -0.545 . . . . 2.25 109.529 176.267 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -114.02 79.53 1.27 Allowed 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.34 -0.615 . . . . 1.08 109.34 179.749 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 81.56 -120.98 5.29 Favored Glycine 0 N--CA 1.444 -0.775 0 CA-C-N 115.433 -0.803 . . . . 1.04 111.661 -177.761 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 23.8 m-20 -93.45 2.34 56.51 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.845 0.355 . . . . 2.31 110.464 -179.725 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . 0.681 ' CD2' ' HB3' ' A' ' 141' ' ' LYS . 95.3 m-85 -112.88 129.86 56.31 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.204 0.526 . . . . 1.17 111.458 -175.265 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -79.57 115.53 19.25 Favored 'General case' 0 N--CA 1.442 -0.834 0 N-CA-C 106.423 -1.695 . . . . 1.66 106.423 169.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . 0.484 ' HB ' ' HG3' ' A' ' 119' ' ' ARG . 86.9 t -109.52 121.61 62.8 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.047 0 C-N-CA 120.231 -0.588 . . . . 1.1 110.551 -170.126 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' MET . . . . . 0.505 ' SD ' ' HB3' ' A' ' 116' ' ' TYR . 44.7 tpp -76.91 122.22 24.55 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 115.16 -0.927 . . . . 1.4 109.249 175.51 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 14.7 tptm -115.88 107.96 15.68 Favored 'General case' 0 C--N 1.312 -1.037 0 N-CA-C 108.413 -0.958 . . . . 2.68 108.413 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' MET . . . . . 0.793 ' HE2' ' CE1' ' A' ' 22' ' ' TYR . 32.9 ttp -136.38 137.78 40.91 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 109.714 -0.476 . . . . 1.66 109.714 -176.486 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 12.1 p -143.28 129.07 19.37 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.295 0.569 . . . . 1.5 111.895 -176.745 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' TRP . . . . . . . . . . . . . 63.4 t-105 -136.36 129.52 31.44 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.09 -0.959 . . . . 0.88 109.69 -178.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 24.8 mtpp 54.98 44.8 27.66 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.237 0.541 . . . . 2.42 111.782 -178.461 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 78.18 -12.18 20.06 Favored Glycine 0 N--CA 1.451 -0.309 0 CA-C-N 115.776 -0.647 . . . . 0.53 113.063 178.347 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 47.0 t -88.74 107.72 18.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-O 120.861 0.362 . . . . 1.13 110.651 -178.122 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -97.18 139.28 33.39 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.027 -0.533 . . . . 1.64 111.062 178.644 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 3.9 t -131.62 133.69 45.21 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.803 -0.635 . . . . 1.1 110.114 176.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 69.6 m -112.06 123.85 51.14 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.865 -0.42 . . . . 1.06 109.865 175.198 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . 0.463 ' HE ' ' HH ' ' A' ' 140' ' ' TYR . 15.7 ttp-105 -116.78 128.98 55.81 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 109.602 -0.518 . . . . 2.41 109.602 -179.13 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 53.6 m-85 -100.53 114.39 27.98 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.884 -0.598 . . . . 1.03 111.296 -167.419 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 140' ' ' TYR . . . . . 0.463 ' HH ' ' HE ' ' A' ' 138' ' ' ARG . 94.4 m-85 -108.67 146.46 33.41 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.324 -0.853 . . . . 0.92 109.539 177.891 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . 0.681 ' HB3' ' CD2' ' A' ' 124' ' ' TYR . 0.0 OUTLIER -137.04 159.93 40.45 Favored 'General case' 0 C--N 1.31 -1.124 0 N-CA-C 107.927 -1.138 . . . . 2.41 107.927 175.862 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . 0.608 ' O ' ' HD3' ' A' ' 141' ' ' LYS . 13.2 tmtt? -44.8 153.35 0.18 Allowed 'General case' 0 CA--C 1.553 1.06 0 CA-C-O 121.421 0.629 . . . . 2.59 112.59 -174.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . 0.424 ' N ' ' HD3' ' A' ' 142' ' ' LYS . 41.8 mm-40 . . . . . 0 C--O 1.247 0.947 0 O-C-N 121.094 -1.004 . . . . 1.74 111.239 168.387 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1001 ' ' OLA . . . . . 0.583 ' H9 ' ' HA ' ' A' ' 36' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' -11' ' ' MET . . . . . . . . . . . . . 73.2 mtm . . . . . 0 N--CA 1.482 1.128 0 CA-C-O 120.709 0.29 . . . . 14.72 111.01 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' -10' ' ' ARG . . . . . 0.41 ' HD2' ' N ' ' A' ' -10' ' ' ARG . 4.5 mpt_? -86.75 -76.43 0.36 Allowed 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 110.029 -0.36 . . . . 16.38 110.029 -179.601 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' -9' ' ' GLY . . . . . . . . . . . . . . . -91.47 -166.14 40.06 Favored Glycine 0 N--CA 1.446 -0.678 0 N-CA-C 111.329 -0.708 . . . . 12.05 111.329 176.246 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' -8' ' ' SER . . . . . . . . . . . . . 30.1 m 63.19 84.28 0.15 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.355 0.598 . . . . 11.72 110.777 -177.58 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' -7' ' ' HIS . . . . . . . . . . . . . 83.6 t60 -82.83 62.97 6.7 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.805 -0.634 . . . . 12.39 109.966 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' -6' ' ' HIS . . . . . . . . . . . . . 61.2 m-70 70.56 -58.98 0.54 Allowed 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 115.186 -0.915 . . . . 11.6 112.043 178.571 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' -5' ' ' HIS . . . . . . . . . . . . . 9.6 p80 -131.91 124.92 30.45 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.943 0.401 . . . . 9.98 111.282 -176.334 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' -4' ' ' HIS . . . . . . . . . . . . . 24.2 m80 -93.53 -64.46 1.09 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.868 -0.606 . . . . 11.3 110.456 175.17 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' -3' ' ' HIS . . . . . . . . . . . . . 7.7 p80 -115.53 5.44 14.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 9.34 110.933 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 2.7 m170 -80.18 107.07 12.68 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 108.781 -0.822 . . . . 7.77 108.781 167.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 70.69 -168.66 49.1 Favored Glycine 0 N--CA 1.443 -0.837 0 C-N-CA 120.315 -0.945 . . . . 3.92 111.065 -174.539 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 33.2 m -140.67 -165.69 1.98 Allowed 'General case' 0 C--N 1.317 -0.831 0 CA-C-O 121.037 0.446 . . . . 3.42 110.918 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 39.7 mttm -94.62 174.75 6.96 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.629 -0.714 . . . . 3.45 109.519 175.427 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 29.6 m -94.43 144.32 25.66 Favored 'General case' 0 C--N 1.308 -1.208 0 N-CA-C 108.232 -1.025 . . . . 1.44 108.232 167.689 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.53 ' HB2' ' CE1' ' A' ' 56' ' ' TYR . 2.7 mt -61.68 119.88 51.44 Favored Pre-proline 0 CA--C 1.516 -0.359 0 CA-C-O 120.712 0.291 . . . . 1.33 110.831 -177.571 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_endo -72.17 140.01 33.44 Favored 'Trans proline' 0 N--CA 1.451 -1.008 0 C-N-CA 122.074 1.849 . . . . 0.81 110.88 175.604 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.422 ' HA ' HD13 ' A' ' 8' ' ' LEU . 7.3 t70 -51.83 -25.99 8.94 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 114.915 -1.039 . . . . 2.19 112.164 -176.157 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp -44.15 -45.64 8.37 Favored 'General case' 0 CA--C 1.531 0.242 0 N-CA-C 112.415 0.524 . . . . 3.1 112.415 174.202 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 49.3 m-85 -91.8 5.91 48.09 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.811 -0.356 . . . . 0.74 111.827 -172.362 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.422 HD13 ' HA ' ' A' ' 5' ' ' ASP . 97.1 mt -101.68 135.6 42.93 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.452 0.644 . . . . 1.12 111.657 -174.235 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 139.85 174.07 13.55 Favored Glycine 0 N--CA 1.442 -0.902 0 CA-C-N 114.706 -1.133 . . . . 0.52 111.282 -177.202 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 7.1 m -110.42 132.67 53.97 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 109.616 -0.513 . . . . 1.62 109.616 177.006 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.595 ' HA ' ' HA ' ' A' ' 142' ' ' LYS . 14.6 m-85 -128.02 138.91 52.77 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 111.761 0.282 . . . . 0.57 111.761 -173.895 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' ' 141' ' ' LYS . 47.8 mtpt -77.65 -167.57 0.99 Allowed 'General case' 0 CA--C 1.532 0.279 0 CA-C-O 120.968 0.413 . . . . 2.65 109.984 168.326 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 52.7 tp -129.4 117.56 20.77 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.174 -0.676 . . . . 1.79 109.174 -176.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -106.52 -44.63 4.45 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 120.55 -0.46 . . . . 2.08 112.228 -173.371 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 10.5 tpt180 -142.78 154.33 44.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.239 0.543 . . . . 3.92 111.915 -173.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -142.06 147.36 36.67 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.492 -0.776 . . . . 1.19 109.232 173.683 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 32.1 mm-40 -138.41 126.35 22.54 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.646 -0.252 . . . . 2.66 110.94 -175.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 62.9 t30 70.03 23.2 5.45 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-O 121.698 0.761 . . . . 0.97 110.676 176.1 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 39.8 t80 -76.8 -39.74 50.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.46 -0.791 . . . . 0.64 111.353 -173.602 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -56.75 -51.01 70.52 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.904 0.383 . . . . 2.04 110.103 176.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 31.1 mm-40 -53.33 -42.61 66.9 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-N 115.578 -0.737 . . . . 1.79 110.855 177.784 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.66 ' CE1' ' HE2' ' A' ' 129' ' ' MET . 89.1 t80 -60.42 -40.7 92.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.912 -0.585 . . . . 1.12 111.136 177.264 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 76.4 mt -64.71 -38.78 92.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.725 0.297 . . . . 1.13 110.497 -178.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 54.6 mttm -61.73 -47.83 83.46 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.439 0.637 . . . . 2.43 109.754 177.564 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.17 -40.44 89.96 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 114.764 -1.107 . . . . 1.2 111.418 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.412 HH11 ' HD2' ' A' ' 26' ' ' ARG . 12.0 mmm180 -70.79 -13.79 62.18 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.951 -0.568 . . . . 1.71 111.745 -179.074 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 95.79 26.26 11.97 Favored Glycine 0 N--CA 1.446 -0.679 0 C-N-CA 120.44 -0.886 . . . . 0.62 112.702 177.351 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 71.5 m-85 -96.13 122.06 38.57 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.009 0.433 . . . . 0.99 110.301 178.169 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -83.48 -168.52 43.55 Favored Glycine 0 N--CA 1.446 -0.695 0 CA-C-N 115.516 -0.766 . . . . 1.54 111.829 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.479 ' O ' ' HG2' ' A' ' 34' ' ' GLN . 66.9 t90 -53.06 -47.25 68.61 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 112.337 0.495 . . . . 1.31 112.337 -175.733 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.52 HD13 ' H ' ' A' ' 31' ' ' ILE . 3.6 mp -55.12 -60.23 1.79 Allowed 'Isoleucine or valine' 0 CA--C 1.503 -0.828 0 CA-C-O 121.416 0.627 . . . . 2.68 110.294 -174.274 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.513 ' O ' HG13 ' A' ' 36' ' ' ILE . 62.6 mmm -64.47 -32.1 73.59 Favored 'General case' 0 N--CA 1.427 -1.601 0 CA-C-N 115.157 -0.929 . . . . 1.16 110.763 -175.788 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 18.7 ttp180 -67.24 -28.94 68.47 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.908 -0.587 . . . . 2.48 110.293 -177.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.591 ' O ' HD22 ' A' ' 38' ' ' LEU . 12.5 mm100 -78.45 -25.94 46.05 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.978 -0.555 . . . . 2.4 111.119 176.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 90.7 t -85.49 -62.16 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-O 120.83 0.348 . . . . 1.33 110.79 178.112 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.513 HG13 ' O ' ' A' ' 32' ' ' MET . 56.0 mt -48.03 -44.38 11.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.234 -0.894 . . . . 1.25 113.192 -178.419 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 46.4 mtmt -74.53 -29.37 61.36 Favored 'General case' 0 N--CA 1.467 0.405 0 O-C-N 121.955 -0.466 . . . . 1.62 111.769 -178.607 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.591 HD22 ' O ' ' A' ' 34' ' ' GLN . 3.9 mm? -96.36 22.29 8.01 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.198 0.523 . . . . 2.6 110.425 -176.892 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -115.63 123.61 48.84 Favored 'General case' 0 N--CA 1.443 -0.787 0 CA-C-N 115.612 -0.722 . . . . 1.15 110.126 177.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -82.88 161.65 40.2 Favored Glycine 0 N--CA 1.444 -0.802 0 N-CA-C 110.409 -1.077 . . . . 0.84 110.409 174.062 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.524 ' HB ' ' CG2' ' A' ' 62' ' ' THR . 0.5 OUTLIER -153.98 139.3 10.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-O 121.34 0.591 . . . . 1.88 111.464 -176.853 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 58.9 m -113.26 122.42 47.4 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 114.997 -1.001 . . . . 1.13 110.121 -178.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.597 ' HE2' ' SD ' ' A' ' 127' ' ' MET . 39.1 mmtm -87.18 130.27 34.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.352 -0.386 . . . . 1.45 110.151 178.292 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.441 ' O ' ' HA ' ' A' ' 58' ' ' MET . 41.2 ttmt -131.23 101.64 5.65 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.619 0.247 . . . . 2.46 111.338 -176.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 80.8 m-85 -108.62 130.78 55.31 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 108.858 -0.793 . . . . 0.63 108.858 177.212 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.453 ' HG3' ' HB3' ' A' ' 57' ' ' ASP . 33.7 ptt180 -161.67 172.33 16.44 Favored 'General case' 0 C--N 1.318 -0.791 0 C-N-CA 120.925 -0.31 . . . . 3.72 110.864 -177.322 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 24.8 m-80 -66.55 157.99 30.89 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.363 -0.606 . . . . 1.9 109.363 171.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.438 ' HB2' ' O ' ' A' ' 55' ' ' ARG . . . -59.03 161.79 4.8 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.069 0.396 . . . . 1.18 112.069 -176.443 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -41.4 -60.0 1.41 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.532 -0.758 . . . . 1.94 112.745 179.448 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 48.5 t -64.36 -39.12 93.25 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.412 0.625 . . . . 2.82 109.346 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 112.05 46.66 0.75 Allowed Glycine 0 N--CA 1.452 -0.236 0 CA-C-N 115.302 -0.863 . . . . 1.96 112.259 176.012 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 57.1 mtpt -94.26 147.57 33.58 Favored Pre-proline 0 C--N 1.321 -0.664 0 CA-C-O 120.741 0.305 . . . . 3.54 110.809 -176.494 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -74.68 148.09 36.34 Favored 'Trans proline' 0 N--CA 1.458 -0.615 0 C-N-CA 122.45 2.1 . . . . 2.1 111.11 174.804 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 67.92 -1.81 1.62 Allowed 'General case' 0 N--CA 1.475 0.781 0 CA-C-N 116.256 -0.429 . . . . 2.44 111.155 178.156 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.438 ' O ' ' HB2' ' A' ' 48' ' ' ALA . 0.1 OUTLIER -124.91 111.13 15.09 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.813 -1.181 . . . . 4.72 107.813 176.737 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.53 ' CE1' ' HB2' ' A' ' 3' ' ' LEU . 96.5 m-85 -118.15 175.99 5.43 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-O 121.418 0.627 . . . . 1.39 112.148 -170.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.453 ' HB3' ' HG3' ' A' ' 46' ' ' ARG . 13.7 t70 -128.55 130.3 47.21 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 114.816 -1.084 . . . . 1.1 108.675 -179.049 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.441 ' HA ' ' O ' ' A' ' 44' ' ' LYS . 10.6 tpt -135.49 124.39 24.09 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 120.826 0.346 . . . . 1.22 110.53 -175.84 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.539 ' HG3' ' O ' ' A' ' 67' ' ' THR . 39.5 tt0 -132.32 145.76 51.5 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 121.029 0.442 . . . . 1.77 111.424 -174.025 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.457 ' HB2' ' OG1' ' A' ' 67' ' ' THR . 47.6 m-80 -124.37 104.64 8.89 Favored 'General case' 0 CA--C 1.517 -0.314 0 CA-C-N 115.7 -0.682 . . . . 1.55 109.772 177.62 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.456 ' O ' ' HA ' ' A' ' 41' ' ' VAL . 87.3 mt -97.37 122.43 40.4 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 116.2 -0.455 . . . . 2.22 110.263 178.881 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.524 ' CG2' ' HB ' ' A' ' 41' ' ' VAL . 44.1 p -126.03 -163.99 1.27 Allowed 'General case' 0 N--CA 1.442 -0.841 0 N-CA-C 110.033 -0.358 . . . . 1.16 110.033 -177.528 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 72.2 p -95.85 -22.4 17.49 Favored 'General case' 0 C--N 1.314 -0.948 0 CA-C-O 121.18 0.514 . . . . 1.14 110.646 -178.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 73.7 mmtt -116.25 -15.72 11.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.778 -0.646 . . . . 2.64 111.708 -175.411 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.459 ' HB2' ' HG1' ' A' ' 62' ' ' THR . 29.5 mmmt -137.9 -156.08 0.66 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.205 0.526 . . . . 2.34 112.218 -171.35 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 7.1 t70 167.46 130.29 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 114.351 -1.295 . . . . 2.12 108.47 -170.684 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.543 HG21 ' O ' ' A' ' 81' ' ' GLU . 75.2 p -144.58 140.46 28.78 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 108.967 -0.753 . . . . 1.17 108.967 -178.802 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 7.5 t-160 -136.05 93.8 2.97 Favored 'General case' 0 C--N 1.321 -0.657 0 C-N-CA 120.311 -0.556 . . . . 2.5 110.76 -176.299 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.487 ' HD1' ' CG ' ' A' ' 80' ' ' ASP . 8.7 m-70 -75.43 86.11 2.57 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 108.455 -0.942 . . . . 0.48 108.455 175.507 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -86.94 122.34 30.65 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 112.426 0.528 . . . . 2.79 112.426 -175.444 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.7 t70 59.94 72.15 0.54 Allowed 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 114.863 -1.062 . . . . 2.07 111.476 172.358 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 68.9 p-90 -119.98 152.85 36.84 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.89 -0.595 . . . . 0.51 110.535 178.119 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -118.72 155.14 31.6 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 116.37 -0.377 . . . . 1.22 110.464 177.05 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.505 ' CD2' HD21 ' A' ' 94' ' ' LEU . 4.2 mp -58.46 138.09 56.9 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.335 0.588 . . . . 2.28 111.288 173.066 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 77.38 7.56 87.0 Favored Glycine 0 N--CA 1.448 -0.502 0 CA-C-N 115.033 -0.985 . . . . 0.66 112.413 -176.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -100.49 148.93 24.22 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.069 0.462 . . . . 2.37 110.619 -177.33 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.506 ' HA ' ' O ' ' A' ' 90' ' ' ILE . 40.5 tt0 -123.19 114.98 21.01 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.205 -0.907 . . . . 1.4 108.817 -179.608 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 38.2 p90 -129.24 153.99 47.23 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 116.586 -0.279 . . . . 0.69 110.957 -174.558 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 28.4 tt0 -83.96 142.29 30.62 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.43 -0.581 . . . . 2.38 109.43 176.048 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.487 ' CG ' ' HD1' ' A' ' 69' ' ' HIS . 6.3 t70 -149.02 169.25 21.05 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.753 0.311 . . . . 1.26 110.806 -171.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.543 ' O ' HG21 ' A' ' 67' ' ' THR . 24.3 mt-10 -109.41 85.99 2.2 Favored 'General case' 0 CA--C 1.515 -0.376 0 N-CA-C 108.806 -0.813 . . . . 2.26 108.806 -179.483 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -80.33 174.85 11.19 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 113.763 1.023 . . . . 1.61 113.763 -164.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.473 ' H ' HD21 ' A' ' 83' ' ' LEU . 3.0 mm? -55.39 -33.81 63.79 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 121.537 0.684 . . . . 1.98 110.073 179.392 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.431 ' HA ' H142 ' A' 1001 ' ' OLA . 5.1 p30 -71.26 0.75 7.23 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 114.726 -1.125 . . . . 1.55 111.786 -177.605 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 37.1 m 66.81 27.25 9.2 Favored 'General case' 0 C--O 1.234 0.276 0 N-CA-C 112.421 0.526 . . . . 1.68 112.421 173.703 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.542 ' OG1' ' HD2' ' A' ' 88' ' ' HIS . 21.0 p -122.46 164.66 17.67 Favored 'General case' 0 C--O 1.24 0.596 0 C-N-CA 120.803 -0.359 . . . . 1.5 110.945 174.707 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 23.2 mm-40 -105.3 88.43 2.85 Favored 'General case' 0 CA--C 1.511 -0.522 0 N-CA-C 108.992 -0.744 . . . . 1.88 108.992 -175.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . 0.571 ' HB2' ' O ' ' A' ' 105' ' ' ILE . 21.1 p80 -132.5 175.34 9.38 Favored 'General case' 0 C--N 1.313 -1.013 0 C-N-CA 119.866 -0.734 . . . . 1.51 111.633 -168.259 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 60.3 pttt -84.23 149.7 25.94 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.751 -0.659 . . . . 1.95 110.639 -174.562 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.506 ' O ' ' HA ' ' A' ' 77' ' ' GLU . 47.5 mt -142.54 136.62 27.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.303 -0.862 . . . . 1.19 110.347 -177.375 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 28.8 m -120.37 138.75 53.57 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.462 -0.335 . . . . 1.12 110.704 176.648 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.421 ' CE1' ' HG3' ' A' ' 102' ' ' GLU . 7.3 m-85 -119.83 138.9 53.1 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.93 -0.577 . . . . 0.81 109.534 176.499 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.445 ' O ' HD11 ' A' ' 100' ' ' LEU . 8.2 p-10 -171.58 173.51 4.67 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.735 0.302 . . . . 1.69 110.384 -179.411 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.505 HD21 ' CD2' ' A' ' 74' ' ' LEU . 1.5 mm? -100.67 119.15 38.16 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.993 0.425 . . . . 1.81 110.093 179.802 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -88.13 -49.89 6.73 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.44 -0.8 . . . . 3.48 109.497 -176.642 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.419 ' C ' ' H ' ' A' ' 98' ' ' ASN . 8.2 m-20 -129.68 166.59 24.86 Favored Pre-proline 0 C--N 1.32 -0.705 0 N-CA-C 108.053 -1.091 . . . . 1.79 108.053 177.056 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_exo -65.68 6.63 0.41 Allowed 'Trans proline' 0 N--CA 1.476 0.462 0 C-N-CA 123.031 2.487 . . . . 1.07 113.151 -176.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . 0.419 ' H ' ' C ' ' A' ' 96' ' ' ASP . 65.6 t30 -150.98 26.49 0.72 Allowed 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.561 -0.533 . . . . 2.63 109.561 175.848 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 28.0 m -141.63 107.05 5.02 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 116.169 -0.469 . . . . 1.26 111.575 -177.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.469 ' HB3' ' HB2' ' A' ' 118' ' ' TYR . 18.2 tp -92.57 130.18 38.29 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.265 -0.643 . . . . 1.78 109.265 173.691 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' THR . . . . . 0.465 HG22 ' HG2' ' A' ' 117' ' ' GLU . 0.8 OUTLIER -110.53 137.31 48.39 Favored 'General case' 0 C--N 1.32 -0.68 0 O-C-N 121.542 -0.724 . . . . 1.11 112.587 -174.355 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.421 ' HG3' ' CE1' ' A' ' 92' ' ' PHE . 25.5 tt0 -111.08 103.93 12.42 Favored 'General case' 0 N--CA 1.454 -0.24 0 N-CA-C 108.665 -0.865 . . . . 1.31 108.665 167.584 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 54.6 m -99.15 107.42 19.77 Favored 'General case' 0 C--N 1.316 -0.858 0 N-CA-C 109.153 -0.684 . . . . 1.12 109.153 178.199 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . 0.532 ' CE1' ' HB3' ' A' ' 114' ' ' GLU . 21.1 p80 -113.55 120.95 42.74 Favored 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 120.211 -0.596 . . . . 2.22 111.257 -175.643 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.571 ' O ' ' HB2' ' A' ' 88' ' ' HIS . 37.2 mt -113.63 125.72 70.96 Favored 'Isoleucine or valine' 0 C--O 1.238 0.462 0 CA-C-N 115.119 -0.946 . . . . 1.36 110.56 -178.618 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.521 ' HA ' ' CB ' ' A' ' 88' ' ' HIS . 97.5 mttt -62.58 121.94 14.57 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.515 -0.766 . . . . 2.12 111.191 176.013 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 5.3 m -58.39 -26.68 31.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 114.75 -1.114 . . . . 2.03 111.166 176.005 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -84.23 -59.13 2.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.567 -0.742 . . . . 2.5 110.504 178.563 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . 0.483 ' O ' ' HB2' ' A' ' 106' ' ' LYS . 20.4 m-20 -120.85 92.92 48.56 Favored Pre-proline 0 C--N 1.327 -0.39 0 CA-C-N 116.133 -0.485 . . . . 2.39 110.906 -179.212 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_endo -69.13 -5.27 15.41 Favored 'Trans proline' 0 N--CA 1.463 -0.314 0 C-N-CA 123.093 2.529 . . . . 0.91 111.657 176.216 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 16.9 p -73.81 -28.38 61.6 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 115.058 -0.974 . . . . 1.91 110.141 176.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -104.3 54.49 0.73 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.539 0.685 . . . . 1.59 110.354 -179.405 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.447 ' CG2' HG12 ' A' ' 105' ' ' ILE . 8.2 p -71.19 159.08 5.9 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.004 0 CA-C-N 115.334 -0.848 . . . . 2.17 110.52 174.887 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.532 ' HB3' ' CE1' ' A' ' 104' ' ' HIS . 29.1 tt0 -154.35 149.72 27.19 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.561 -0.533 . . . . 2.78 109.561 175.458 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 84.8 m -134.56 131.14 37.56 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.236 0.541 . . . . 1.18 111.326 -177.62 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 17.0 m-85 -102.31 149.83 23.94 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 108.268 -1.012 . . . . 1.49 108.268 175.268 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . 0.465 ' HG2' HG22 ' A' ' 101' ' ' THR . 33.0 mt-10 -133.28 126.15 30.82 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.21 -1.033 . . . . 1.53 108.21 -176.749 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . 0.469 ' HB2' ' HB3' ' A' ' 100' ' ' LEU . 64.5 m-85 -108.1 113.21 26.19 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-O 120.733 0.302 . . . . 1.0 111.318 -173.584 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 31.9 mtm180 -116.34 161.95 18.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.864 -0.607 . . . . 3.96 110.183 178.096 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 11.7 mmm-85 -114.42 134.86 54.68 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.833 0.349 . . . . 2.25 111.16 173.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . 0.449 ' HB3' HG23 ' A' ' 126' ' ' VAL . 32.2 t70 -151.57 97.5 2.39 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.432 -0.803 . . . . 1.08 109.2 175.343 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 74.09 -144.65 33.76 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.794 -0.717 . . . . 1.04 111.47 -176.659 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -85.81 29.59 0.7 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.983 0.897 . . . . 2.31 109.749 178.467 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . 0.45 ' CZ ' ' HE3' ' A' ' 141' ' ' LYS . 20.0 m-85 -122.76 132.18 54.11 Favored 'General case' 0 CA--C 1.51 -0.568 0 CA-C-N 115.363 -0.835 . . . . 1.17 111.295 -177.265 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.479 ' HB3' ' HB2' ' A' ' 140' ' ' TYR . 3.0 tm? -82.36 103.95 12.3 Favored 'General case' 0 N--CA 1.44 -0.947 0 N-CA-C 106.422 -1.695 . . . . 1.66 106.422 164.22 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . 0.449 HG23 ' HB3' ' A' ' 121' ' ' ASP . 92.4 t -92.21 96.43 6.25 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 CA-C-O 121.957 0.884 . . . . 1.1 109.19 -173.29 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' MET . . . . . 0.597 ' SD ' ' HE2' ' A' ' 43' ' ' LYS . 20.6 ttt -90.25 142.03 28.12 Favored 'General case' 0 C--N 1.305 -1.358 0 CA-C-N 114.144 -1.389 . . . . 1.4 109.428 -175.612 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . 0.429 ' HB3' ' HB2' ' A' ' 117' ' ' GLU . 77.6 tttt -128.45 139.73 52.2 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-O 120.922 0.391 . . . . 2.68 110.14 -175.54 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' MET . . . . . 0.66 ' HE2' ' CE1' ' A' ' 22' ' ' TYR . 45.8 mtp -136.8 132.1 34.23 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 108.399 -0.963 . . . . 1.66 108.399 178.46 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' SER . . . . . 0.52 ' HA ' ' O ' ' A' ' 134' ' ' VAL . 10.3 p -138.46 127.18 23.58 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.364 0.602 . . . . 1.5 111.78 -179.415 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' TRP . . . . . 0.508 ' CD1' ' HG2' ' A' ' 132' ' ' LYS . 46.3 t-105 -146.76 134.49 21.14 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.153 -0.93 . . . . 0.88 109.656 177.785 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . 0.508 ' HG2' ' CD1' ' A' ' 131' ' ' TRP . 75.0 mmtt 54.72 41.16 32.12 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 123.717 0.636 . . . . 2.42 111.186 -175.889 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 75.84 -6.99 30.1 Favored Glycine 0 CA--C 1.519 0.291 0 CA-C-N 115.823 -0.626 . . . . 0.53 112.975 179.72 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . 0.52 ' O ' ' HA ' ' A' ' 130' ' ' SER . 33.4 t -85.53 105.65 14.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.861 0.331 . . . . 1.13 110.421 -179.246 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -98.51 124.3 43.17 Favored 'General case' 0 N--CA 1.443 -0.798 0 CA-C-O 121.363 0.601 . . . . 1.64 110.794 177.163 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' THR . . . . . 0.47 ' CG2' ' HB2' ' A' ' 129' ' ' MET . 4.6 t -115.95 137.09 52.43 Favored 'General case' 0 C--N 1.309 -1.165 0 CA-C-N 115.097 -0.956 . . . . 1.1 109.905 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 4.1 p -101.18 120.34 40.09 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.658 0.742 . . . . 1.06 110.058 177.234 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . 0.541 ' HB3' ' HB3' ' A' ' 127' ' ' MET . 12.8 tpt180 -104.78 96.2 6.4 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-N 114.972 -1.013 . . . . 2.41 108.675 -177.659 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 77.6 m-85 -84.95 108.12 17.41 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.394 0.616 . . . . 1.03 111.843 -172.439 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 140' ' ' TYR . . . . . 0.479 ' HB2' ' HB3' ' A' ' 125' ' ' LEU . 52.2 m-85 -96.8 128.43 43.75 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.184 -0.916 . . . . 0.92 110.451 178.201 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . 0.453 ' O ' ' N ' ' A' ' 12' ' ' LYS . 3.1 tppp? -103.1 127.16 50.47 Favored 'General case' 0 C--O 1.208 -1.125 0 N-CA-C 107.222 -1.399 . . . . 2.41 107.222 177.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . 0.595 ' HA ' ' HA ' ' A' ' 11' ' ' PHE . 80.8 tttt -47.63 167.48 0.02 OUTLIER 'General case' 0 CA--C 1.548 0.877 0 N-CA-C 113.568 0.951 . . . . 2.59 113.568 -171.172 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . 0.469 ' HA ' HE21 ' A' ' 143' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--O 1.248 0.987 0 O-C-N 121.346 -0.846 . . . . 1.74 109.988 166.14 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1001 ' ' OLA . . . . . 0.498 H112 H152 ' A' 1001 ' ' OLA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' -11' ' ' MET . . . . . . . . . . . . . 14.6 tpt . . . . . 0 N--CA 1.483 1.217 0 CA-C-O 120.599 0.238 . . . . 14.72 111.397 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' -10' ' ' ARG . . . . . . . . . . . . . 11.5 tpp180 -86.23 82.92 7.85 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.321 0.581 . . . . 16.38 111.17 -175.652 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' -9' ' ' GLY . . . . . . . . . . . . . . . -119.15 49.57 0.86 Allowed Glycine 0 N--CA 1.45 -0.427 0 N-CA-C 110.877 -0.889 . . . . 12.05 110.877 176.258 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' -8' ' ' SER . . . . . . . . . . . . . 14.0 m -88.79 -20.37 24.8 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.589 -0.305 . . . . 11.72 111.649 -172.37 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' -7' ' ' HIS . . . . . . . . . . . . . 42.0 m80 -131.7 82.92 2.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.071 0.462 . . . . 12.39 111.214 -179.141 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' -6' ' ' HIS . . . . . . . . . . . . . 28.4 m170 -80.69 112.56 18.17 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.105 -0.498 . . . . 11.6 109.742 174.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' -5' ' ' HIS . . . . . . . . . . . . . 49.1 m80 -94.68 66.75 3.22 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.035 0.445 . . . . 9.98 110.91 -176.222 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' -4' ' ' HIS . . . . . . . . . . . . . 44.9 m-70 -117.91 -53.86 2.36 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.125 -0.489 . . . . 11.3 110.472 175.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' -3' ' ' HIS . . . . . . . . . . . . . 51.9 m80 -131.64 1.14 4.03 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.976 -0.556 . . . . 9.34 110.676 177.353 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 58.3 m170 -90.84 68.61 6.37 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.321 0.581 . . . . 7.77 109.919 176.643 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 132.17 151.35 6.78 Favored Glycine 0 N--CA 1.445 -0.713 0 N-CA-C 111.251 -0.74 . . . . 3.92 111.251 -176.551 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 14.1 m -94.02 144.28 25.61 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 120.865 0.364 . . . . 3.42 110.971 -177.707 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . 0.436 ' O ' HD11 ' A' ' 74' ' ' LEU . 27.4 mtpp -63.29 120.76 12.19 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 108.013 -1.106 . . . . 3.45 108.013 167.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 7.1 m -67.56 131.28 45.34 Favored 'General case' 0 C--N 1.317 -0.833 0 C-N-CA 120.713 -0.395 . . . . 1.44 110.583 -174.49 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.524 ' HB2' ' CE1' ' A' ' 56' ' ' TYR . 0.6 OUTLIER -66.33 120.4 69.89 Favored Pre-proline 0 C--N 1.324 -0.521 0 CA-C-N 115.579 -0.737 . . . . 1.33 110.961 -176.048 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_exo -56.22 121.2 9.58 Favored 'Trans proline' 0 N--CA 1.458 -0.613 0 C-N-CA 122.538 2.159 . . . . 0.81 110.654 172.482 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.443 ' HA ' HD11 ' A' ' 8' ' ' LEU . 26.8 t70 -53.11 -23.01 7.0 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 115.949 -0.569 . . . . 2.19 111.453 -179.118 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.488 ' O ' ' HD3' ' A' ' 120' ' ' ARG . 0.1 OUTLIER -55.88 -24.71 38.83 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.796 -0.638 . . . . 3.1 111.872 177.74 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 28.0 m-85 -95.15 -4.36 46.22 Favored 'General case' 0 CA--C 1.519 -0.237 0 O-C-N 121.933 -0.479 . . . . 0.74 110.969 179.75 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.454 ' HA ' ' HB2' ' A' ' 45' ' ' PHE . 87.7 mt -95.83 155.76 16.62 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.987 0.423 . . . . 1.12 111.286 -170.856 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 125.28 177.58 14.96 Favored Glycine 0 N--CA 1.442 -0.912 0 CA-C-N 115.572 -0.74 . . . . 0.52 112.313 179.224 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.449 HG23 ' HG2' ' A' ' 44' ' ' LYS . 1.7 m -101.31 125.87 48.0 Favored 'General case' 0 N--CA 1.447 -0.606 0 N-CA-C 109.14 -0.689 . . . . 1.62 109.14 175.652 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 73.1 m-85 -118.53 126.96 53.12 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 113.017 0.747 . . . . 0.57 113.017 -174.015 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.578 ' CG ' HE21 ' A' ' 143' ' ' GLN . 48.7 mtmt -70.02 -176.74 1.18 Allowed 'General case' 0 C--N 1.352 0.702 0 CA-C-O 121.117 0.484 . . . . 2.65 110.463 167.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.2 tt -127.44 114.6 17.71 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.126 -1.064 . . . . 1.79 108.126 -178.046 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -91.3 -49.04 6.57 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.809 -0.356 . . . . 2.08 111.036 -176.73 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 11.0 ptm180 -166.32 -167.76 1.09 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.981 0.42 . . . . 3.92 111.109 -176.035 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -144.99 -174.65 4.42 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.977 -0.556 . . . . 1.19 110.281 -178.648 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -154.71 108.07 2.86 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.972 -0.558 . . . . 2.66 110.037 177.601 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 4.4 t30 69.09 29.46 4.72 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-O 122.001 0.905 . . . . 0.97 110.577 175.154 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.423 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 36.5 t80 -71.52 -43.16 66.96 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.249 -0.887 . . . . 0.64 111.502 -173.199 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -59.24 -44.72 92.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.668 0.271 . . . . 2.04 111.197 179.784 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -62.6 -36.01 81.36 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.48 -0.327 . . . . 1.79 111.303 179.499 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.618 ' CE1' ' HE2' ' A' ' 129' ' ' MET . 58.8 t80 -61.2 -37.79 84.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.969 0.414 . . . . 1.12 110.535 173.763 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.423 ' HG ' ' O ' ' A' ' 19' ' ' PHE . 85.1 mt -65.52 -38.76 90.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 1.13 110.257 -178.653 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 26.0 mtpp -62.32 -47.61 83.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.868 -0.605 . . . . 2.43 109.98 177.418 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.47 -44.75 85.1 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.36 -0.836 . . . . 1.2 111.208 179.298 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.508 ' NH2' ' HB2' ' A' ' 114' ' ' GLU . 18.0 mmm180 -67.7 -9.91 47.8 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 116.167 -0.469 . . . . 1.71 112.046 -177.671 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 101.88 5.7 50.26 Favored Glycine 0 N--CA 1.444 -0.786 0 C-N-CA 120.574 -0.822 . . . . 0.62 112.776 176.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 72.7 m-85 -80.13 121.51 25.65 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.802 0.334 . . . . 0.99 110.143 179.555 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.445 ' O ' ' HG3' ' A' ' 33' ' ' ARG . . . -79.08 -170.69 39.34 Favored Glycine 0 N--CA 1.445 -0.739 0 C-N-CA 120.95 -0.643 . . . . 1.54 111.927 178.784 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.519 ' O ' ' HG2' ' A' ' 34' ' ' GLN . 45.9 t90 -50.61 -45.48 57.57 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 122.6 0.36 . . . . 1.31 111.817 -177.897 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.58 HD11 ' H ' ' A' ' 31' ' ' ILE . 3.7 mp -54.08 -59.31 2.14 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.8 0 CA-C-O 121.455 0.645 . . . . 2.68 110.251 -175.417 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.493 ' O ' HG13 ' A' ' 36' ' ' ILE . 74.1 mmm -65.56 -36.07 82.72 Favored 'General case' 0 N--CA 1.428 -1.549 0 CA-C-N 114.818 -1.083 . . . . 1.16 111.077 -175.057 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.445 ' HG3' ' O ' ' A' ' 29' ' ' GLY . 52.7 mtm180 -61.37 -26.0 67.54 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.593 -0.276 . . . . 2.48 111.223 179.124 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.519 ' HG2' ' O ' ' A' ' 30' ' ' TRP . 30.1 mm-40 -73.45 -48.38 34.1 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.787 -0.449 . . . . 2.4 109.787 175.264 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 88.3 t -68.21 -59.65 3.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.763 -0.653 . . . . 1.33 111.536 -174.001 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.525 ' HA ' ' H9 ' ' A' 1001 ' ' OLA . 44.8 mt -48.09 -36.55 6.13 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.434 0 N-CA-C 113.379 0.881 . . . . 1.25 113.379 -178.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 47.0 mtmt -77.57 -20.34 54.21 Favored 'General case' 0 C--N 1.33 -0.277 0 O-C-N 122.062 -0.399 . . . . 1.62 111.903 -178.404 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.484 ' HG ' ' O ' ' A' ' 34' ' ' GLN . 42.4 mt -88.8 -7.67 55.77 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.991 0.425 . . . . 2.6 110.839 -179.689 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -79.39 97.86 6.52 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.013 -0.539 . . . . 1.15 111.131 -177.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -78.94 56.9 4.32 Favored Glycine 0 N--CA 1.452 -0.239 0 CA-C-N 115.907 -0.588 . . . . 0.84 112.218 178.656 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.523 ' HB ' HG21 ' A' ' 62' ' ' THR . 2.5 p -55.41 147.55 3.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 N-CA-C 113.946 1.091 . . . . 1.88 113.946 -177.264 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 86.2 m -112.11 125.67 54.35 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 114.368 -1.287 . . . . 1.13 109.581 176.728 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.595 ' HE3' ' SD ' ' A' ' 127' ' ' MET . 73.3 mmtt -87.09 136.33 32.96 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.989 -0.374 . . . . 1.45 109.989 178.547 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.481 ' HZ2' ' HB3' ' A' ' 44' ' ' LYS . 6.8 mtpm? -132.31 116.16 16.55 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.591 -0.277 . . . . 2.46 110.593 -179.795 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.454 ' HB2' ' HA ' ' A' ' 8' ' ' LEU . 64.6 m-85 -120.3 143.45 48.34 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 109.156 -0.683 . . . . 0.63 109.156 174.359 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.405 ' HG3' ' HB3' ' A' ' 57' ' ' ASP . 10.5 ptm180 -170.58 171.68 6.25 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.787 0.327 . . . . 3.72 111.007 -179.444 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.513 ' HA ' ' CD2' ' A' ' 56' ' ' TYR . 8.3 p30 -70.19 152.06 44.68 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.647 -0.871 . . . . 1.9 108.647 170.111 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.499 ' HA ' ' HB2' ' A' ' 57' ' ' ASP . . . -49.92 131.03 22.55 Favored 'General case' 0 CA--C 1.516 -0.363 0 CA-C-O 121.606 0.717 . . . . 1.18 111.841 -173.313 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.37 -39.2 89.79 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 113.836 -1.529 . . . . 1.94 112.425 -168.739 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 12.2 p -74.15 12.62 0.69 Allowed 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 112.234 0.457 . . . . 2.82 112.234 -179.337 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 71.3 20.34 78.1 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.66 -0.781 . . . . 1.96 111.77 -176.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.411 ' HB3' ' CB ' ' A' ' 48' ' ' ALA . 5.4 tppp? -72.62 118.43 67.84 Favored Pre-proline 0 N--CA 1.444 -0.738 0 N-CA-C 109.62 -0.511 . . . . 3.54 109.62 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.443 ' O ' ' HB3' ' A' ' 54' ' ' ASP . 61.3 Cg_endo -72.19 145.87 44.85 Favored 'Trans proline' 0 C--O 1.237 0.474 0 C-N-CA 122.391 2.06 . . . . 2.1 112.445 -177.518 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.443 ' HB3' ' O ' ' A' ' 53' ' ' PRO . 33.1 t70 82.34 -53.54 0.22 Allowed 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 124.286 1.035 . . . . 2.44 109.968 176.868 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.497 ' HD3' ' OD2' ' A' ' 71' ' ' ASP . 82.8 mtt-85 -67.06 149.66 50.28 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.377 -0.828 . . . . 4.72 112.54 175.014 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.524 ' CE1' ' HB2' ' A' ' 3' ' ' LEU . 66.7 m-85 -122.21 179.02 4.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.468 -0.787 . . . . 1.39 111.132 -179.176 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.54 ' OD2' ' HA ' ' A' ' 70' ' ' LYS . 18.7 t70 -135.58 139.55 43.96 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.693 -0.685 . . . . 1.1 109.489 -177.245 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.553 ' HE2' ' OD1' ' A' ' 60' ' ' ASN . 1.4 tmt? -142.3 139.61 31.92 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.47 -0.567 . . . . 1.22 109.47 -178.271 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.515 ' HG3' ' O ' ' A' ' 67' ' ' THR . 38.3 tt0 -142.31 147.94 37.19 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.263 0.554 . . . . 1.77 111.854 -175.443 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.553 ' OD1' ' HE2' ' A' ' 58' ' ' MET . 41.4 m-80 -125.71 100.9 6.63 Favored 'General case' 0 CA--C 1.515 -0.402 0 CA-C-N 115.276 -0.875 . . . . 1.55 109.247 178.867 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.483 ' O ' ' HA ' ' A' ' 41' ' ' VAL . 63.8 mt -93.49 118.54 31.46 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 116.207 -0.451 . . . . 2.22 109.943 178.845 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.523 HG21 ' HB ' ' A' ' 41' ' ' VAL . 4.3 p -121.88 -164.84 1.19 Allowed 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.719 -0.474 . . . . 1.16 109.719 -175.875 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 74.0 p -100.03 -17.72 17.36 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-O 121.346 0.594 . . . . 1.14 110.602 -178.417 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.507 ' HB3' ' HZ2' ' A' ' 64' ' ' LYS . 2.0 mmmp? -107.05 -39.95 5.59 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.878 -0.601 . . . . 2.64 111.842 -175.682 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.5 ' HD3' ' N ' ' A' ' 66' ' ' ASP . 8.4 tmtm? -158.27 135.03 9.7 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.23 -0.656 . . . . 2.34 109.23 -174.268 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.5 ' N ' ' HD3' ' A' ' 65' ' ' LYS . 22.1 m-20 -108.25 128.13 54.46 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 120.971 0.415 . . . . 2.12 110.284 -177.264 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.586 HG21 ' O ' ' A' ' 81' ' ' GLU . 66.3 p -110.65 144.57 39.37 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.958 -0.564 . . . . 1.17 109.746 -179.204 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 8.0 t-160 -137.85 97.59 3.46 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.164 0.507 . . . . 2.5 109.956 -178.537 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 7.4 m-70 -75.5 84.2 2.58 Favored 'General case' 0 C--N 1.318 -0.787 0 N-CA-C 108.449 -0.945 . . . . 0.48 108.449 176.215 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.54 ' HA ' ' OD2' ' A' ' 57' ' ' ASP . 10.8 ptpt -89.81 127.08 35.91 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.872 -0.604 . . . . 2.79 111.95 -174.614 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.497 ' OD2' ' HD3' ' A' ' 55' ' ' ARG . 13.3 t70 63.84 72.96 0.45 Allowed 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 115.139 -0.937 . . . . 2.07 110.843 173.611 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' TRP . . . . . 0.433 ' HE1' ' N ' ' A' ' 58' ' ' MET . 69.8 p-90 -126.88 161.42 28.3 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.275 -0.421 . . . . 0.51 111.435 179.201 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.513 ' O ' ' HB3' ' A' ' 76' ' ' GLU . . . -126.36 148.51 49.57 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.834 -0.621 . . . . 1.22 109.738 172.721 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.56 HD12 ' H ' ' A' ' 74' ' ' LEU . 0.0 OUTLIER -65.88 144.99 56.46 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 119.398 -0.921 . . . . 2.28 109.518 170.861 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 85.55 -2.63 87.91 Favored Glycine 0 N--CA 1.441 -0.995 0 CA-C-N 115.127 -0.942 . . . . 0.66 111.784 -169.759 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.513 ' HB3' ' O ' ' A' ' 73' ' ' ALA . 43.5 tt0 -105.97 153.16 22.39 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-O 121.206 0.527 . . . . 2.37 111.466 -176.379 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.428 ' HG3' ' HG1' ' A' ' 91' ' ' THR . 39.4 tt0 -128.03 119.15 24.84 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.27 -0.877 . . . . 1.4 108.799 -179.837 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 40.0 p90 -134.19 157.42 46.29 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.728 -0.215 . . . . 0.69 110.655 -173.593 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.411 ' HA ' ' HA ' ' A' ' 89' ' ' LYS . 1.5 mp0 -85.26 152.69 23.13 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.864 -0.335 . . . . 2.38 110.172 176.546 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -153.48 155.16 35.74 Favored 'General case' 0 C--O 1.245 0.836 0 CA-C-N 116.066 -0.516 . . . . 1.26 110.549 -174.584 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.586 ' O ' HG21 ' A' ' 67' ' ' THR . 13.5 pt-20 -91.11 85.13 5.81 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-O 121.921 0.867 . . . . 2.26 108.828 177.801 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -73.54 171.99 12.17 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 114.935 -1.03 . . . . 1.61 113.13 -168.251 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.57 HD22 ' H ' ' A' ' 83' ' ' LEU . 2.0 mm? -54.92 -30.88 59.53 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.012 -0.54 . . . . 1.98 110.581 -177.824 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -85.64 13.4 7.1 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.795 -0.639 . . . . 1.55 111.128 -174.688 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 22.8 t 63.41 47.15 4.03 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 115.411 -0.813 . . . . 1.68 111.212 172.185 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.455 ' O ' ' HA ' ' A' ' 81' ' ' GLU . 20.9 p -132.37 168.58 17.87 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.825 -0.625 . . . . 1.5 110.024 175.657 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.447 HE22 ' HB3' ' A' ' 81' ' ' GLU . 30.0 mm-40 -105.75 56.68 0.67 Allowed 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.177 -0.675 . . . . 1.88 109.177 178.561 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . 0.513 ' CB ' ' HA ' ' A' ' 106' ' ' LYS . 15.9 p80 -93.8 162.78 13.78 Favored 'General case' 0 C--N 1.32 -0.713 0 C-N-CA 119.622 -0.831 . . . . 1.51 111.801 -169.605 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.411 ' HA ' ' HA ' ' A' ' 79' ' ' GLN . 54.6 pttt -84.05 150.72 25.4 Favored 'General case' 0 N--CA 1.44 -0.952 0 CA-C-N 115.567 -0.742 . . . . 1.95 110.409 -172.183 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 59.2 mt -142.77 134.17 24.39 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.074 0 CA-C-N 114.951 -1.022 . . . . 1.19 110.014 -176.309 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.428 ' HG1' ' HG3' ' A' ' 77' ' ' GLU . 13.1 m -113.81 131.99 56.03 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 116.179 -0.464 . . . . 1.12 110.524 178.585 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -107.77 135.65 48.83 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 108.286 -1.005 . . . . 0.81 108.286 173.075 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -158.34 147.36 19.15 Favored 'General case' 0 C--N 1.314 -0.953 0 N-CA-C 109.599 -0.519 . . . . 1.69 109.599 -176.761 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.42 ' CD1' ' HG ' ' A' ' 100' ' ' LEU . 1.5 mp -95.24 121.68 37.15 Favored 'General case' 0 C--N 1.317 -0.815 0 C-N-CA 120.306 -0.557 . . . . 1.81 110.83 178.352 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.56 ' HG3' ' OD1' ' A' ' 96' ' ' ASP . 19.1 tptp -85.29 -47.84 9.66 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-N 115.172 -0.922 . . . . 3.48 108.865 -177.16 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.56 ' OD1' ' HG3' ' A' ' 95' ' ' LYS . 6.1 m-20 -140.74 166.12 25.05 Favored Pre-proline 0 C--N 1.321 -0.66 0 N-CA-C 107.839 -1.171 . . . . 1.79 107.839 175.026 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 15.1 Cg_exo -70.73 6.8 1.48 Allowed 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.822 2.348 . . . . 1.07 112.121 -178.542 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 -137.78 15.61 2.89 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.545 -0.752 . . . . 2.63 109.289 176.601 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 33.0 m -151.6 109.4 3.67 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-O 121.447 0.641 . . . . 1.26 111.964 179.096 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.42 ' HG ' ' CD1' ' A' ' 94' ' ' LEU . 0.6 OUTLIER -84.4 153.58 23.33 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.117 -1.068 . . . . 1.78 108.117 172.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 9.1 p -128.29 131.68 48.69 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 119.096 0.862 . . . . 1.11 111.099 173.731 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 68.6 tt0 -116.33 110.54 18.85 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.911 -0.586 . . . . 1.31 109.589 178.193 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 56.1 m -102.13 118.14 36.26 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.817 0.341 . . . . 1.12 111.017 -177.274 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . 0.444 ' HB3' ' CE1' ' A' ' 88' ' ' HIS . 17.2 m170 -98.88 122.89 42.71 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.951 -0.389 . . . . 2.22 109.951 176.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.424 HG22 ' HA ' ' A' ' 110' ' ' PRO . 56.5 mt -124.73 117.35 50.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-O 121.44 0.638 . . . . 1.36 111.051 172.836 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.513 ' HA ' ' CB ' ' A' ' 88' ' ' HIS . 54.0 mttm -60.19 118.41 6.33 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 114.756 -1.111 . . . . 2.12 111.048 176.633 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 11.9 m -65.7 -19.75 26.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.942 -0.572 . . . . 2.03 110.878 177.52 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -79.19 -42.94 24.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.707 -0.679 . . . . 2.5 110.356 176.347 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -144.12 94.58 5.78 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.082 -0.508 . . . . 2.39 109.968 179.462 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . 0.424 ' HA ' HG22 ' A' ' 105' ' ' ILE . 56.3 Cg_endo -71.13 0.76 6.17 Favored 'Trans proline' 0 N--CA 1.462 -0.365 0 C-N-CA 123.033 2.488 . . . . 0.91 112.869 -177.661 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 29.0 p -72.44 -25.87 61.62 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.558 0.694 . . . . 1.91 109.852 173.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . 0.493 ' HB2' ' HD2' ' A' ' 106' ' ' LYS . 4.9 m-20 -94.48 56.28 2.09 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.056 -0.974 . . . . 1.59 111.102 -177.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 15.0 p -65.41 159.6 4.0 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.961 0 CA-C-N 115.97 -0.559 . . . . 2.17 109.786 174.403 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.508 ' HB2' ' NH2' ' A' ' 26' ' ' ARG . 41.1 tt0 -155.24 137.55 14.87 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.511 -0.551 . . . . 2.78 109.511 -176.51 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 39.1 m -130.53 121.67 26.17 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.308 0.575 . . . . 1.18 112.121 -176.765 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' TYR . . . . . 0.671 ' CE1' ' HE1' ' A' ' 129' ' ' MET . 4.5 m-30 -102.01 155.0 18.45 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 106.715 -1.587 . . . . 1.49 106.715 168.333 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . 0.495 ' O ' ' HA ' ' A' ' 127' ' ' MET . 12.6 pt-20 -139.74 122.88 16.86 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 119.319 0.963 . . . . 1.53 109.046 175.287 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -98.03 111.54 23.82 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.282 0.563 . . . . 1.0 111.348 -173.103 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 18.0 ttm180 -114.17 144.7 42.75 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 115.032 -0.986 . . . . 3.96 109.767 178.715 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . 0.488 ' HD3' ' O ' ' A' ' 6' ' ' LYS . 8.6 tpt180 -102.06 101.39 11.74 Favored 'General case' 0 C--N 1.32 -0.697 0 C-N-CA 120.433 -0.507 . . . . 2.25 110.114 179.677 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -97.78 82.2 3.0 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.389 0.614 . . . . 1.08 109.625 179.23 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 71.2 -112.77 4.35 Favored Glycine 0 N--CA 1.444 -0.771 0 CA-C-N 115.121 -0.945 . . . . 1.04 112.399 179.749 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -91.47 -10.16 41.89 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.114 0.483 . . . . 2.31 110.689 -176.517 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 61.5 m-85 -107.93 135.45 49.29 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.116 0.484 . . . . 1.17 111.537 -175.311 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -82.64 113.5 20.38 Favored 'General case' 0 N--CA 1.443 -0.778 0 N-CA-C 107.033 -1.469 . . . . 1.66 107.033 170.45 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 88.9 t -117.66 129.08 74.65 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.009 0 N-CA-C 109.267 -0.642 . . . . 1.1 109.267 -170.648 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' MET . . . . . 0.595 ' SD ' ' HE3' ' A' ' 43' ' ' LYS . 26.2 ptm -128.89 150.32 50.4 Favored 'General case' 0 C--N 1.305 -1.335 0 C-N-CA 120.306 -0.558 . . . . 1.4 110.577 -175.541 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . 0.449 ' HA ' ' O ' ' A' ' 136' ' ' THR . 40.1 ttmt -122.78 133.95 54.44 Favored 'General case' 0 C--N 1.31 -1.135 0 CA-C-N 115.444 -0.798 . . . . 2.68 109.229 -179.107 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' MET . . . . . 0.671 ' HE1' ' CE1' ' A' ' 116' ' ' TYR . 25.8 mtp -126.16 121.45 32.86 Favored 'General case' 0 C--N 1.313 -0.984 0 N-CA-C 107.648 -1.241 . . . . 1.66 107.648 178.43 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 2.6 m -128.9 137.53 51.48 Favored 'General case' 0 C--N 1.321 -0.634 0 C-N-CA 120.051 -0.66 . . . . 1.5 111.813 -173.45 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' TRP . . . . . . . . . . . . . 44.0 t-105 -149.52 133.37 16.97 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.197 -0.911 . . . . 0.88 109.8 175.469 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 67.9 mttm 55.87 33.11 20.96 Favored 'General case' 0 C--N 1.327 -0.382 0 O-C-N 123.532 0.52 . . . . 2.42 111.143 -176.314 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 82.63 -28.21 3.57 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.967 -0.635 . . . . 0.53 112.446 -176.636 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 20.4 t -69.44 106.75 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 121.07 0.462 . . . . 1.13 109.838 -179.487 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 1.6 m -105.91 153.04 22.53 Favored 'General case' 0 N--CA 1.436 -1.148 0 CA-C-N 115.785 -0.643 . . . . 1.64 110.98 -176.206 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' THR . . . . . 0.449 ' O ' ' HA ' ' A' ' 128' ' ' LYS . 9.2 t -135.48 138.18 42.88 Favored 'General case' 0 C--N 1.313 -0.981 0 CA-C-N 115.456 -0.793 . . . . 1.1 110.058 174.652 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' SER . . . . . 0.489 ' HA ' ' O ' ' A' ' 127' ' ' MET . 14.8 m -109.95 106.89 16.6 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 121.36 0.6 . . . . 1.06 109.874 174.524 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . 0.403 ' HG2' ' CE2' ' A' ' 140' ' ' TYR . 6.7 tpt180 -83.3 124.91 31.07 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.356 -0.838 . . . . 2.41 108.861 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 88.4 m-85 -98.28 110.47 23.05 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-O 120.859 0.361 . . . . 1.03 111.656 -174.146 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 140' ' ' TYR . . . . . 0.546 ' HE2' ' SD ' ' A' ' 127' ' ' MET . 97.6 m-85 -111.34 143.94 41.32 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.017 -0.538 . . . . 0.92 110.499 174.802 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . 0.496 ' HG3' ' O ' ' A' ' 142' ' ' LYS . 17.0 ptpt -118.21 167.78 11.19 Favored 'General case' 0 C--O 1.208 -1.101 0 N-CA-C 107.261 -1.385 . . . . 2.41 107.261 172.779 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . 0.496 ' O ' ' HG3' ' A' ' 141' ' ' LYS . 88.2 tttt -56.82 161.64 2.78 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 119.409 1.004 . . . . 2.59 110.443 172.863 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . 0.578 HE21 ' CG ' ' A' ' 12' ' ' LYS . 2.2 mt-30 . . . . . 0 C--O 1.249 1.057 0 O-C-N 121.201 -0.937 . . . . 1.74 109.931 165.34 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1001 ' ' OLA . . . . . 0.564 H141 ' C10' ' A' 1001 ' ' OLA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' -11' ' ' MET . . . . . . . . . . . . . 49.6 tpp . . . . . 0 N--CA 1.476 0.862 0 CA-C-O 120.881 0.372 . . . . 14.72 110.46 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' -10' ' ' ARG . . . . . . . . . . . . . 16.0 ptp180 -135.06 159.06 42.72 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.097 -0.501 . . . . 16.38 110.083 178.525 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' -9' ' ' GLY . . . . . . . . . . . . . . . 75.37 17.51 80.16 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.924 -0.655 . . . . 12.05 111.756 -176.76 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' -8' ' ' SER . . . . . . . . . . . . . 4.4 p -78.79 77.67 5.26 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.308 0.575 . . . . 11.72 111.137 -177.13 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' -7' ' ' HIS . . . . . . . . . . . . . 53.3 m80 -89.25 32.18 0.86 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.003 -0.544 . . . . 12.39 110.432 178.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' -6' ' ' HIS . . . . . . . . . . . . . 84.9 m-70 -88.79 85.44 6.76 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.014 -0.539 . . . . 11.6 109.947 -179.423 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' -5' ' ' HIS . . . . . . . . . . . . . 89.6 m-70 -81.01 -8.98 59.89 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.196 -0.456 . . . . 9.98 110.644 -179.734 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' -4' ' ' HIS . . . . . . . . . . . . . 45.4 t60 -75.03 -14.83 60.65 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.866 -0.607 . . . . 11.3 109.471 174.43 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' -3' ' ' HIS . . . . . . . . . . . . . 18.0 t60 70.11 117.41 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 114.861 -1.063 . . . . 9.34 110.627 -178.06 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 2.0 t-160 -76.79 96.58 4.29 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.209 -0.451 . . . . 7.77 109.835 179.242 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -61.47 -39.11 96.86 Favored Glycine 0 N--CA 1.451 -0.336 0 N-CA-C 110.742 -0.943 . . . . 3.92 110.742 175.004 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 70.4 m -82.05 157.32 24.19 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.317 -0.442 . . . . 3.42 109.843 170.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 33.5 mtmm -97.41 159.31 14.99 Favored 'General case' 0 C--N 1.312 -1.037 0 N-CA-C 109.378 -0.601 . . . . 3.45 109.378 172.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -88.57 131.98 34.72 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 116.363 -0.38 . . . . 1.44 111.296 178.769 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.41 HD22 ' HA ' ' A' ' 3' ' ' LEU . 1.6 mt -60.87 125.28 82.91 Favored Pre-proline 0 C--N 1.326 -0.435 0 CA-C-N 115.881 -0.599 . . . . 1.33 111.577 178.472 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_exo -57.33 132.62 52.02 Favored 'Trans proline' 0 N--CA 1.462 -0.329 0 C-N-CA 122.523 2.149 . . . . 0.81 110.815 171.545 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.421 ' HA ' HD11 ' A' ' 8' ' ' LEU . 4.6 p-10 -61.64 -18.01 57.71 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.404 -0.362 . . . . 2.19 111.775 -174.64 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 31.6 mmtp -62.93 -26.13 68.66 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 111.594 0.22 . . . . 3.1 111.594 175.761 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 48.1 m-85 -92.44 -5.8 51.21 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.733 -0.387 . . . . 0.74 109.987 178.505 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.435 HD22 ' HB3' ' A' ' 45' ' ' PHE . 97.8 mt -98.72 155.95 17.08 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-O 121.269 0.557 . . . . 1.12 111.148 -174.827 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 119.05 172.37 15.26 Favored Glycine 0 N--CA 1.441 -0.97 0 CA-C-N 115.255 -0.884 . . . . 0.52 111.681 -179.194 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 6.9 m -98.56 124.01 43.06 Favored 'General case' 0 C--N 1.317 -0.848 0 N-CA-C 109.636 -0.505 . . . . 1.62 109.636 176.568 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 75.7 m-85 -114.06 132.9 55.86 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.252 -0.431 . . . . 0.57 111.552 -175.159 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.604 ' HG2' ' O ' ' A' ' 142' ' ' LYS . 19.9 ptpt -91.78 -161.81 0.86 Allowed 'General case' 0 CA--C 1.535 0.379 0 N-CA-C 109.69 -0.485 . . . . 2.65 109.69 169.14 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.1 tt -131.63 124.97 31.02 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 108.726 -0.842 . . . . 1.79 108.726 -172.492 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.417 ' HB2' ' HE3' ' A' ' 141' ' ' LYS . 42.9 tt0 -99.02 -51.59 3.81 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 121.07 -0.252 . . . . 2.08 111.14 -179.715 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 13.0 ptm180 -148.12 -176.59 5.34 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.928 0.394 . . . . 3.92 111.051 -177.647 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.415 ' OD2' ' HB2' ' A' ' 19' ' ' PHE . 18.1 t70 -145.14 166.11 26.35 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.866 -0.606 . . . . 1.19 109.502 -172.366 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -159.34 116.0 2.63 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 117.811 0.278 . . . . 2.66 111.544 -179.426 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.9 t30 68.69 24.4 6.77 Favored 'General case' 0 N--CA 1.476 0.834 0 CA-C-O 121.434 0.635 . . . . 0.97 112.053 170.559 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.446 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 11.9 t80 -75.76 -37.87 58.9 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.717 -0.674 . . . . 0.64 111.1 -174.342 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -58.04 -49.03 78.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.612 0.244 . . . . 2.04 110.577 179.287 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -61.67 -37.54 84.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.391 -0.368 . . . . 1.79 111.056 179.174 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.517 ' CE1' ' HE1' ' A' ' 129' ' ' MET . 87.3 t80 -59.26 -39.15 81.97 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 120.723 -0.391 . . . . 1.12 110.416 174.108 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.446 ' HG ' ' O ' ' A' ' 19' ' ' PHE . 90.1 mt -69.39 -37.81 77.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.37 -0.377 . . . . 1.13 110.437 -178.59 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.497 ' HZ3' ' HB3' ' A' ' 24' ' ' LYS . 8.2 mtpm? -63.36 -48.69 76.88 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.987 -0.551 . . . . 2.43 109.736 177.709 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.407 ' HB1' ' HB2' ' A' ' 132' ' ' LYS . . . -59.55 -39.48 84.13 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.189 -0.914 . . . . 1.2 111.116 176.87 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.529 ' HA ' ' CD1' ' A' ' 131' ' ' TRP . 15.4 mmm180 -67.01 -14.84 63.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.857 -0.611 . . . . 1.71 111.959 -179.485 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 95.65 20.3 27.13 Favored Glycine 0 N--CA 1.445 -0.711 0 C-N-CA 120.448 -0.882 . . . . 0.62 112.533 179.542 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.661 ' HH ' H151 ' A' 1001 ' ' OLA . 66.5 m-85 -90.15 125.81 35.58 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.881 0.372 . . . . 0.99 110.022 177.183 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -76.53 -172.81 35.83 Favored Glycine 0 N--CA 1.445 -0.751 0 C-N-CA 120.954 -0.641 . . . . 1.54 111.775 178.658 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.449 ' O ' ' HG2' ' A' ' 34' ' ' GLN . 64.8 t90 -53.97 -45.5 71.38 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 111.962 0.356 . . . . 1.31 111.962 -176.314 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.551 HD11 ' H ' ' A' ' 31' ' ' ILE . 3.7 mp -58.53 -56.05 18.86 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.74 0 CA-C-O 121.609 0.718 . . . . 2.68 109.941 -174.856 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -66.71 -31.29 71.85 Favored 'General case' 0 N--CA 1.43 -1.437 0 CA-C-N 114.85 -1.068 . . . . 1.16 111.032 -176.171 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 35.9 ttp180 -69.74 -22.2 63.39 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.058 -0.519 . . . . 2.48 110.187 178.42 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.621 ' O ' HD23 ' A' ' 38' ' ' LEU . 26.1 mm-40 -83.69 -27.77 28.79 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.768 -0.651 . . . . 2.4 110.826 175.745 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.459 HG13 ' HG3' ' A' ' 64' ' ' LYS . 57.4 t -85.39 -67.93 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-O 121.16 0.505 . . . . 1.33 110.866 -178.549 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.564 ' CG2' H182 ' A' 1001 ' ' OLA . 28.7 mt -50.48 -38.84 16.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 114.885 -1.052 . . . . 1.25 113.089 -175.899 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 25.8 ttpp -77.45 -20.9 53.78 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-O 120.851 0.357 . . . . 1.62 111.645 -174.592 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.621 HD23 ' O ' ' A' ' 34' ' ' GLN . 3.9 mm? -104.73 -1.57 26.05 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.139 0.495 . . . . 2.6 110.409 -177.275 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -76.55 120.14 21.34 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.541 -0.754 . . . . 1.15 110.721 179.613 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.611 ' O ' ' HA ' ' A' ' 62' ' ' THR . . . -70.1 136.06 26.61 Favored Glycine 0 N--CA 1.443 -0.891 0 N-CA-C 110.462 -1.055 . . . . 0.84 110.462 174.09 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.41 HG22 ' H41' ' A' 1001 ' ' OLA . 78.4 t -122.99 126.0 73.07 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 CA-C-O 121.207 0.527 . . . . 1.88 110.858 -174.072 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 77.7 m -107.16 108.36 19.77 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.454 -0.794 . . . . 1.13 109.872 176.063 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.432 ' HZ2' ' C1 ' ' A' 1001 ' ' OLA . 13.8 tptt -87.82 118.48 27.37 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.117 -0.697 . . . . 1.45 109.117 -179.169 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.513 ' O ' ' HA ' ' A' ' 58' ' ' MET . 3.3 ttpm? -121.83 121.8 38.02 Favored 'General case' 0 C--N 1.322 -0.591 0 C-N-CA 120.126 -0.63 . . . . 2.46 111.368 -177.799 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.435 ' HB3' HD22 ' A' ' 8' ' ' LEU . 60.6 m-85 -121.97 147.24 46.3 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.609 -0.723 . . . . 0.63 109.216 174.214 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 15.9 ptp180 179.65 -178.01 0.37 Allowed 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 110.317 -0.253 . . . . 3.72 110.317 175.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 32.9 m-80 -63.41 154.92 30.54 Favored 'General case' 0 C--N 1.319 -0.728 0 O-C-N 123.679 0.612 . . . . 1.9 109.569 173.441 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -51.49 142.22 14.3 Favored 'General case' 0 CA--C 1.52 -0.174 0 CA-C-O 120.797 0.332 . . . . 1.18 111.167 -177.485 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -47.81 -58.98 3.67 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 113.726 1.01 . . . . 1.94 113.726 -170.439 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 11.1 t -65.38 -38.27 89.51 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 108.977 -0.749 . . . . 2.82 108.977 -178.041 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 123.88 23.98 1.95 Allowed Glycine 0 N--CA 1.448 -0.54 0 CA-C-N 114.963 -1.017 . . . . 1.96 112.684 173.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 63.8 mttm -71.93 129.21 88.35 Favored Pre-proline 0 C--N 1.326 -0.426 0 N-CA-C 109.847 -0.427 . . . . 3.54 109.847 178.511 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.569 ' O ' ' HB3' ' A' ' 54' ' ' ASP . 41.8 Cg_endo -66.65 150.5 83.7 Favored 'Trans proline' 0 C--O 1.234 0.297 0 C-N-CA 122.725 2.283 . . . . 2.1 112.669 -176.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.569 ' HB3' ' O ' ' A' ' 53' ' ' PRO . 9.1 t0 88.19 -60.16 0.03 OUTLIER 'General case' 0 CA--C 1.514 -0.427 0 O-C-N 124.645 1.216 . . . . 2.44 109.295 177.764 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 71.3 mtt180 -68.04 143.03 55.7 Favored 'General case' 0 C--N 1.313 -1.001 0 CA-C-O 122.011 0.91 . . . . 4.72 112.297 176.575 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 76.3 m-85 -118.97 178.91 4.32 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 114.474 -1.239 . . . . 1.39 110.073 -179.309 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -127.87 133.56 49.34 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.66 -0.7 . . . . 1.1 109.735 -177.025 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.513 ' HA ' ' O ' ' A' ' 44' ' ' LYS . 1.1 tmt? -135.86 138.14 42.18 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.156 -0.683 . . . . 1.22 109.156 178.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 59.3 tt0 -147.16 148.5 31.61 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 120.868 0.366 . . . . 1.77 111.499 -174.129 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.568 ' HB2' ' OG1' ' A' ' 67' ' ' THR . 34.7 m-80 -127.41 105.0 8.22 Favored 'General case' 0 CA--C 1.515 -0.374 0 CA-C-N 115.705 -0.68 . . . . 1.55 109.629 178.284 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 82.9 mt -100.16 123.81 44.83 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 109.881 -0.414 . . . . 2.22 109.881 176.329 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.611 ' HA ' ' O ' ' A' ' 40' ' ' GLY . 43.7 p -125.05 -153.78 0.58 Allowed 'General case' 0 N--CA 1.444 -0.76 0 CA-C-O 120.869 0.366 . . . . 1.16 110.392 -175.189 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 68.0 p -101.73 -35.26 9.14 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-N 116.156 -0.475 . . . . 1.14 110.985 -179.761 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.459 ' HG3' HG13 ' A' ' 35' ' ' VAL . 74.5 mmtt -120.06 4.94 10.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.006 -0.543 . . . . 2.64 111.562 -174.731 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.599 ' HG3' ' H ' ' A' ' 66' ' ' ASP . 29.7 tptt -146.92 -156.99 0.76 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.972 0.415 . . . . 2.34 110.662 -178.844 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.599 ' H ' ' HG3' ' A' ' 65' ' ' LYS . 3.0 t70 167.75 129.67 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.06 -0.973 . . . . 2.12 108.738 -169.257 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.568 ' OG1' ' HB2' ' A' ' 60' ' ' ASN . 23.7 p -146.88 140.63 25.84 Favored 'General case' 0 C--N 1.311 -1.081 0 N-CA-C 108.94 -0.763 . . . . 1.17 108.94 177.258 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 8.4 t-160 -140.75 96.99 3.1 Favored 'General case' 0 C--N 1.313 -1.019 0 CA-C-O 121.164 0.507 . . . . 2.5 109.945 -177.305 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 18.7 m-70 -70.69 88.33 0.7 Allowed 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.363 -0.835 . . . . 0.48 108.806 176.457 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 43.6 mttm -78.49 115.6 18.31 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.443 -0.799 . . . . 2.79 112.619 -176.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 61.37 76.97 0.35 Allowed 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 115.4 -0.818 . . . . 2.07 112.215 169.133 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 66.5 p-90 -122.11 145.0 48.59 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.609 -0.723 . . . . 0.51 109.897 176.546 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -101.87 146.53 27.7 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 110.102 -0.333 . . . . 1.22 110.102 176.755 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.6 tt -56.71 119.12 5.63 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.092 0.472 . . . . 2.28 110.036 174.683 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 88.86 23.98 33.95 Favored Glycine 0 N--CA 1.447 -0.579 0 CA-C-N 115.652 -0.704 . . . . 0.66 112.417 -175.117 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -119.94 131.72 55.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.383 0.611 . . . . 2.37 111.316 -178.291 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -97.71 121.92 40.18 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 114.965 -1.016 . . . . 1.4 110.182 177.126 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 38.9 p90 -133.48 157.49 45.49 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 110.026 -0.361 . . . . 0.69 110.026 -178.146 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.41 HE21 ' HB2' ' A' ' 79' ' ' GLN . 7.6 tt0 -90.67 151.14 21.39 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.425 -0.584 . . . . 2.38 109.425 175.58 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.402 ' HB3' HD12 ' A' ' 90' ' ' ILE . 14.9 t70 -156.79 160.83 39.6 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.581 -0.281 . . . . 1.26 110.323 -168.31 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -101.18 87.26 3.2 Favored 'General case' 0 CA--C 1.515 -0.374 0 CA-C-O 122.13 0.967 . . . . 2.26 108.745 175.41 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -75.99 172.28 13.02 Favored 'General case' 0 C--N 1.309 -1.163 0 CA-C-N 114.356 -1.293 . . . . 1.61 113.093 -166.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 12.4 mt -53.11 -34.53 57.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.817 -0.629 . . . . 1.98 111.105 -176.737 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.459 ' HA ' H141 ' A' 1001 ' ' OLA . 10.3 p-10 -78.62 20.71 0.42 Allowed 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.226 -0.897 . . . . 1.55 112.276 -174.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 20.4 m 65.39 28.47 11.71 Favored 'General case' 0 C--O 1.235 0.329 0 N-CA-C 112.999 0.74 . . . . 1.68 112.999 164.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 13.5 p -138.52 163.39 32.1 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 116.542 -0.299 . . . . 1.5 110.343 177.634 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 12.6 mm-40 -98.43 118.75 35.81 Favored 'General case' 0 CA--C 1.507 -0.69 0 N-CA-C 107.27 -1.382 . . . . 1.88 107.27 176.592 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . 0.73 ' HB2' ' O ' ' A' ' 105' ' ' ILE . 23.9 p80 -153.88 170.63 20.54 Favored 'General case' 0 C--N 1.311 -1.079 0 C-N-CA 119.71 -0.796 . . . . 1.51 111.903 -178.567 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.47 ' H ' HG12 ' A' ' 107' ' ' VAL . 20.4 ptmt -75.5 142.77 42.82 Favored 'General case' 0 N--CA 1.446 -0.655 0 CA-C-N 115.326 -0.852 . . . . 1.95 110.861 -173.019 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.434 HG12 ' HB3' ' A' ' 104' ' ' HIS . 40.1 mt -139.81 128.91 28.01 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.775 0 CA-C-N 115.503 -0.771 . . . . 1.19 110.67 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 38.3 m -110.53 131.36 55.12 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 116.359 -0.382 . . . . 1.12 110.304 174.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -113.38 127.9 56.28 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 108.997 -0.742 . . . . 0.81 108.997 174.737 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -165.1 173.1 11.81 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 110.065 -0.346 . . . . 1.69 110.065 -177.659 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -108.31 120.24 41.81 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.925 -0.579 . . . . 1.81 109.685 179.403 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 56.7 tptt -86.69 -46.6 9.89 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 108.388 -0.967 . . . . 3.48 108.388 -179.588 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.42 ' C ' ' H ' ' A' ' 98' ' ' ASN . 13.5 m-20 -133.0 163.25 52.43 Favored Pre-proline 0 C--N 1.319 -0.725 0 N-CA-C 107.745 -1.206 . . . . 1.79 107.745 172.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 16.5 Cg_exo -69.74 6.61 1.24 Allowed 'Trans proline' 0 CA--C 1.528 0.178 0 C-N-CA 122.763 2.309 . . . . 1.07 111.958 -178.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . 0.42 ' H ' ' C ' ' A' ' 96' ' ' ASP . 62.7 t30 -134.15 17.11 3.77 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.5 -0.773 . . . . 2.63 109.481 177.475 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.452 ' HA ' ' O ' ' A' ' 118' ' ' TYR . 51.7 m -152.7 106.51 3.08 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-O 121.153 0.502 . . . . 1.26 112.094 -177.03 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.609 HD23 ' N ' ' A' ' 101' ' ' THR . 4.6 tt -88.68 135.77 33.34 Favored 'General case' 0 C--O 1.223 -0.328 0 N-CA-C 107.762 -1.199 . . . . 1.78 107.762 172.433 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' THR . . . . . 0.609 ' N ' HD23 ' A' ' 100' ' ' LEU . 1.4 p -116.51 133.0 56.53 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 118.563 0.619 . . . . 1.11 112.125 -177.707 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -109.67 102.31 11.15 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-N 115.559 -0.746 . . . . 1.31 109.346 171.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 26.7 m -92.39 102.81 15.29 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 109.435 -0.58 . . . . 1.12 109.435 178.363 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . 0.434 ' HB3' HG12 ' A' ' 90' ' ' ILE . 5.9 p80 -114.1 114.98 26.82 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.506 0.67 . . . . 2.22 111.401 -176.381 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.73 ' O ' ' HB2' ' A' ' 88' ' ' HIS . 50.0 mt -116.38 129.72 72.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 114.628 -1.169 . . . . 1.36 111.003 -176.144 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.532 ' HB2' ' O ' ' A' ' 109' ' ' ASP . 21.4 mmtm -58.63 109.25 0.76 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.026 -0.533 . . . . 2.12 110.868 173.241 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.47 HG12 ' H ' ' A' ' 89' ' ' LYS . 20.9 m -59.8 -22.19 23.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.249 -0.432 . . . . 2.03 112.048 177.151 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -95.52 -45.99 6.85 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.47 -0.332 . . . . 2.5 111.0 -177.289 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . 0.532 ' O ' ' HB2' ' A' ' 106' ' ' LYS . 23.6 m-20 -132.3 88.82 38.82 Favored Pre-proline 0 CA--C 1.514 -0.412 0 CA-C-O 120.943 0.401 . . . . 2.39 109.993 175.118 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -69.7 19.74 0.18 Allowed 'Trans proline' 0 C--N 1.335 -0.176 0 C-N-CA 123.538 2.825 . . . . 0.91 113.139 -175.416 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' THR . . . . . 0.455 ' H ' ' C ' ' A' ' 109' ' ' ASP . 76.0 p -85.96 -30.53 22.71 Favored 'General case' 0 N--CA 1.443 -0.8 0 CA-C-N 116.086 -0.507 . . . . 1.91 110.355 174.053 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . 0.445 ' HB3' ' HG3' ' A' ' 106' ' ' LYS . 23.0 t70 -97.83 52.6 1.08 Allowed 'General case' 0 CA--C 1.532 0.251 0 CA-C-O 121.563 0.697 . . . . 1.59 110.878 -176.748 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.444 ' CG1' HG12 ' A' ' 105' ' ' ILE . 14.5 m -84.65 169.82 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.815 0 CA-C-N 115.999 -0.546 . . . . 2.17 111.544 178.468 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -165.68 161.14 18.0 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.363 -0.606 . . . . 2.78 109.363 172.283 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 26.1 m -131.82 116.45 17.25 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-O 120.999 0.428 . . . . 1.18 110.467 177.439 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' TYR . . . . . 0.581 ' CE1' ' HE3' ' A' ' 129' ' ' MET . 19.5 m-30 -89.15 142.87 27.27 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 107.839 -1.171 . . . . 1.49 107.839 176.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -132.1 116.59 17.22 Favored 'General case' 0 N--CA 1.448 -0.54 0 N-CA-C 108.262 -1.014 . . . . 1.53 108.262 -173.663 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . 0.496 ' HB2' ' HB3' ' A' ' 100' ' ' LEU . 68.2 m-85 -93.22 114.35 26.81 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 116.423 -0.353 . . . . 1.0 110.515 -175.805 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 42.5 ttp180 -117.88 151.81 36.65 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.232 -0.44 . . . . 3.96 110.111 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . 0.513 ' NH2' ' HA ' ' A' ' 123' ' ' ASP . 15.0 mmm180 -108.0 130.16 55.08 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.964 0.411 . . . . 2.25 110.991 178.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -130.56 109.52 10.73 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.281 -0.637 . . . . 1.08 109.281 176.17 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 71.21 -101.24 0.94 Allowed Glycine 0 N--CA 1.448 -0.546 0 N-CA-C 111.303 -0.719 . . . . 1.04 111.303 -175.224 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . 0.513 ' HA ' ' NH2' ' A' ' 120' ' ' ARG . 28.3 t70 -134.7 24.27 3.68 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 122.006 0.908 . . . . 2.31 109.6 174.83 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 87.9 m-85 -111.75 140.73 46.14 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.425 -0.807 . . . . 1.17 110.617 -179.672 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -83.14 111.43 18.9 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 107.855 -1.165 . . . . 1.66 107.855 171.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 59.3 t -103.08 115.93 45.93 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.986 0 N-CA-C 109.639 -0.504 . . . . 1.1 109.639 -173.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' MET . . . . . 0.633 ' O ' ' HA ' ' A' ' 137' ' ' SER . 8.3 tpt -82.78 123.13 29.04 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-N 115.393 -0.821 . . . . 1.4 110.375 -176.647 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 24.0 tptp -113.49 110.81 20.88 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 109.508 -0.553 . . . . 2.68 109.508 -177.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' MET . . . . . 0.581 ' HE3' ' CE1' ' A' ' 116' ' ' TYR . 48.1 mtp -131.13 148.6 52.74 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 108.711 -0.848 . . . . 1.66 108.711 -179.067 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 2.2 p -160.12 127.2 4.45 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.85 0.357 . . . . 1.5 111.631 -176.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' TRP . . . . . 0.529 ' CD1' ' HA ' ' A' ' 26' ' ' ARG . 57.5 t-105 -141.07 134.76 30.21 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.957 -0.565 . . . . 0.88 109.796 -179.443 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . 0.504 ' HD3' ' CD1' ' A' ' 131' ' ' TRP . 6.1 mptp? 52.45 38.26 24.94 Favored 'General case' 0 N--CA 1.462 0.149 0 O-C-N 123.561 0.538 . . . . 2.42 111.239 -174.411 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 79.71 -10.84 36.45 Favored Glycine 0 CA--C 1.521 0.462 0 C-N-CA 121.069 -0.586 . . . . 0.53 113.683 179.041 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 43.9 t -87.72 105.68 15.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 117.1 0.45 . . . . 1.13 110.162 -179.702 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 1.5 m -92.73 151.43 20.06 Favored 'General case' 0 N--CA 1.437 -1.125 0 CA-C-O 121.185 0.517 . . . . 1.64 111.141 -179.59 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 5.0 t -139.47 150.07 44.74 Favored 'General case' 0 C--N 1.313 -1.019 0 CA-C-N 115.157 -0.929 . . . . 1.1 109.389 176.157 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' SER . . . . . 0.633 ' HA ' ' O ' ' A' ' 127' ' ' MET . 19.5 m -136.98 95.67 3.16 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.972 0.415 . . . . 1.06 110.384 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . 0.418 ' HD2' ' CE1' ' A' ' 19' ' ' PHE . 33.8 mtp180 -79.3 136.95 37.17 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.962 -0.755 . . . . 2.41 108.962 177.696 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 84.3 m-85 -100.56 106.53 18.05 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 121.36 0.6 . . . . 1.03 111.308 -175.488 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 87.5 m-85 -103.36 135.54 44.79 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 114.902 -1.044 . . . . 0.92 109.871 179.728 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . 0.537 ' HG3' ' O ' ' A' ' 142' ' ' LYS . 17.6 ptpt -113.09 168.5 9.65 Favored 'General case' 0 C--N 1.311 -1.069 0 N-CA-C 107.893 -1.151 . . . . 2.41 107.893 175.869 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . 0.604 ' O ' ' HG2' ' A' ' 12' ' ' LYS . 45.5 tttp -54.9 165.95 0.57 Allowed 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 118.441 0.564 . . . . 2.59 110.383 170.634 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . 0.535 ' NE2' ' HB3' ' A' ' 12' ' ' LYS . 52.8 mm-40 . . . . . 0 C--O 1.249 1.035 0 O-C-N 121.121 -0.987 . . . . 1.74 110.968 167.198 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1001 ' ' OLA . . . . . 0.661 H151 ' HH ' ' A' ' 28' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' -11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.481 1.106 0 CA-C-O 120.519 0.2 . . . . 14.72 111.388 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' -10' ' ' ARG . . . . . . . . . . . . . 81.7 mtp180 -77.59 -51.97 9.79 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.966 0.412 . . . . 16.38 110.507 -179.338 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' -9' ' ' GLY . . . . . . . . . . . . . . . -87.03 103.05 2.83 Favored Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 120.724 -0.75 . . . . 12.05 111.503 176.188 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' -8' ' ' SER . . . . . . . . . . . . . 29.3 m -62.96 132.55 52.42 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.882 0.373 . . . . 11.72 110.639 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' -7' ' ' HIS . . . . . . . . . . . . . 36.8 m170 -63.59 -30.92 71.97 Favored 'General case' 0 CA--C 1.519 -0.229 0 CA-C-N 115.928 -0.578 . . . . 12.39 110.21 178.744 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' -6' ' ' HIS . . . . . . . . . . . . . 9.8 t-160 -86.62 97.75 10.72 Favored 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 108.154 -1.054 . . . . 11.6 108.154 169.307 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' -5' ' ' HIS . . . . . 0.408 ' HB3' ' HB2' ' A' ' -2' ' ' HIS . 97.5 m-70 -64.96 97.24 0.22 Allowed 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.402 -0.817 . . . . 9.98 112.437 -169.663 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' -4' ' ' HIS . . . . . . . . . . . . . 32.6 m80 -79.72 -36.18 37.81 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 108.412 -0.958 . . . . 11.3 108.412 172.783 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' -3' ' ' HIS . . . . . . . . . . . . . 23.3 p80 -140.41 122.03 15.24 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 114.537 -1.21 . . . . 9.34 108.877 174.53 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' -2' ' ' HIS . . . . . 0.408 ' HB2' ' HB3' ' A' ' -5' ' ' HIS . 11.6 t-160 -137.77 62.7 1.57 Allowed 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.679 0.752 . . . . 7.77 110.075 -177.629 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 88.43 -68.46 2.91 Favored Glycine 0 N--CA 1.445 -0.725 0 CA-C-N 115.311 -0.859 . . . . 3.92 111.771 -179.421 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 12.3 m -94.76 126.06 39.83 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 120.921 0.391 . . . . 3.42 110.124 178.19 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . 0.799 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 68.4 mttm -83.25 119.97 25.23 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.04 -0.527 . . . . 3.45 109.952 177.441 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 19.0 m -63.42 143.04 58.15 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 110.046 -0.353 . . . . 1.44 110.046 -176.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.462 HD23 ' HD2' ' A' ' 4' ' ' PRO . 0.1 OUTLIER -60.13 117.09 20.64 Favored Pre-proline 0 C--O 1.235 0.328 0 CA-C-N 116.178 -0.464 . . . . 1.33 111.348 -172.863 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.462 ' HD2' HD23 ' A' ' 3' ' ' LEU . 31.9 Cg_exo -57.82 128.89 30.82 Favored 'Trans proline' 0 N--CA 1.461 -0.419 0 C-N-CA 122.989 2.459 . . . . 0.81 111.419 173.598 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -54.76 -25.95 31.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.705 -0.68 . . . . 2.19 111.899 -179.341 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.401 ' O ' ' HD3' ' A' ' 120' ' ' ARG . 57.6 mtpt -59.0 -19.85 47.45 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.408 0.522 . . . . 3.1 112.408 178.362 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.488 ' CE1' ' HG2' ' A' ' 120' ' ' ARG . 48.9 m-85 -96.09 5.75 50.41 Favored 'General case' 0 C--N 1.327 -0.4 0 O-C-N 122.165 -0.334 . . . . 0.74 111.43 179.87 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.407 HD22 ' HB3' ' A' ' 45' ' ' PHE . 97.2 mt -99.8 143.28 30.2 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.076 0.465 . . . . 1.12 111.752 -174.661 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 131.6 -179.74 16.84 Favored Glycine 0 N--CA 1.449 -0.481 0 CA-C-N 115.538 -0.755 . . . . 0.52 112.552 179.754 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.424 HG23 ' HG3' ' A' ' 143' ' ' GLN . 96.4 m -105.94 122.62 46.5 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.803 0.335 . . . . 1.62 110.171 177.637 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 77.7 m-85 -119.19 134.11 55.39 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.124 -0.489 . . . . 0.57 110.842 -176.396 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.483 ' HB3' ' CD ' ' A' ' 143' ' ' GLN . 0.0 OUTLIER -97.16 133.67 41.49 Favored 'General case' 0 C--O 1.234 0.282 0 C-N-CA 120.019 -0.673 . . . . 2.65 111.037 174.096 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 52.0 tp -59.72 129.15 40.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.753 -0.658 . . . . 1.79 110.904 174.429 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -104.58 -50.81 3.22 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.215 -0.448 . . . . 2.08 110.543 177.273 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 16.2 ptp180 -154.77 -179.03 7.63 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.547 -0.297 . . . . 3.92 110.552 -173.65 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -148.63 176.77 10.06 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.503 -0.317 . . . . 1.19 110.714 178.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -148.44 113.92 5.62 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.116 -0.493 . . . . 2.66 110.401 -178.761 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 44.9 t30 72.08 24.64 3.15 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-O 121.551 0.691 . . . . 0.97 111.263 175.293 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.472 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 14.0 t80 -73.61 -37.67 65.34 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.625 -0.716 . . . . 0.64 110.374 -175.08 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -52.09 -57.51 9.35 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.183 -0.462 . . . . 2.04 111.336 175.524 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 43.7 mm-40 -52.55 -42.41 64.4 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 115.769 -0.651 . . . . 1.79 110.897 177.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.555 ' CE1' ' HE2' ' A' ' 129' ' ' MET . 89.5 t80 -58.65 -40.86 84.63 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 116.304 -0.407 . . . . 1.12 111.237 177.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.472 ' HG ' ' O ' ' A' ' 19' ' ' PHE . 96.5 mt -62.58 -44.11 97.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.038 0.447 . . . . 1.13 110.802 -178.464 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 55.9 mtmt -67.07 -40.47 87.06 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.86 -0.609 . . . . 2.43 110.674 179.718 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.5 -40.08 95.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.758 -0.655 . . . . 1.2 111.177 178.192 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 13.2 mmm180 -73.9 -7.11 51.04 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.824 -0.625 . . . . 1.71 111.556 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 94.58 11.1 57.36 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.536 -0.84 . . . . 0.62 112.895 174.298 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 74.6 m-85 -73.93 124.22 25.76 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-O 120.834 0.35 . . . . 0.99 110.099 179.06 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.516 ' O ' ' HG3' ' A' ' 33' ' ' ARG . . . -81.08 -177.13 51.45 Favored Glycine 0 N--CA 1.447 -0.6 0 N-CA-C 111.338 -0.705 . . . . 1.54 111.338 177.327 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 42.0 t90 -48.29 -46.08 35.64 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 111.727 0.269 . . . . 1.31 111.727 -177.212 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.551 ' O ' ' HG3' ' A' ' 34' ' ' GLN . 3.6 mp -51.8 -58.6 2.08 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.971 0 O-C-N 123.705 0.628 . . . . 2.68 110.087 -173.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.416 ' HE2' H132 ' A' 1001 ' ' OLA . 55.0 mmm -69.45 -39.71 77.59 Favored 'General case' 0 N--CA 1.422 -1.833 0 CA-C-N 115.179 -0.919 . . . . 1.16 111.058 -175.199 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.516 ' HG3' ' O ' ' A' ' 29' ' ' GLY . 44.9 mtm-85 -57.48 -42.32 82.39 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 120.919 -0.312 . . . . 2.48 111.324 -177.809 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.551 ' HG3' ' O ' ' A' ' 31' ' ' ILE . 0.0 OUTLIER -73.9 -35.3 64.64 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.632 -0.427 . . . . 2.4 110.721 -177.679 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 69.2 t -71.39 -51.19 35.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 121.154 0.502 . . . . 1.33 110.567 178.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.6 ' HA ' ' H9 ' ' A' 1001 ' ' OLA . 96.0 mt -52.78 -39.98 33.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.012 -0.995 . . . . 1.25 112.589 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.435 ' HG3' ' O ' ' A' ' 33' ' ' ARG . 61.5 mttm -63.22 -36.87 85.1 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 121.064 0.459 . . . . 1.62 111.45 178.228 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 46.2 mt -86.77 -5.12 59.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.07 -0.514 . . . . 2.6 111.57 -173.789 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -82.33 111.78 18.7 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.403 -0.362 . . . . 1.15 111.325 -177.212 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.452 ' O ' ' HA ' ' A' ' 62' ' ' THR . . . -69.29 137.1 28.99 Favored Glycine 0 N--CA 1.449 -0.443 0 N-CA-C 110.544 -1.022 . . . . 0.84 110.544 172.069 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 28.3 t -121.64 127.94 75.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-O 121.247 0.546 . . . . 1.88 112.003 -171.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 22.5 m -117.53 119.54 35.35 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.554 -0.748 . . . . 1.13 110.209 173.803 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.562 ' HZ3' ' C1 ' ' A' 1001 ' ' OLA . 69.5 mmtt -97.38 135.56 39.1 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.862 -0.421 . . . . 1.45 109.862 178.746 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.534 ' O ' ' HA ' ' A' ' 58' ' ' MET . 27.9 mtpp -133.18 131.78 40.8 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.708 0.289 . . . . 2.46 111.447 -178.13 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.551 ' CE2' ' HG3' ' A' ' 58' ' ' MET . 53.2 m-85 -129.51 142.95 50.66 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.718 -0.674 . . . . 0.63 109.382 172.536 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 12.7 ptm180 -162.47 166.53 24.81 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 120.795 0.331 . . . . 3.72 110.497 173.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -69.75 136.35 50.83 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 108.15 -1.055 . . . . 1.9 108.15 172.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.543 ' HB3' ' CG ' ' A' ' 55' ' ' ARG . . . -73.53 175.09 7.37 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.116 0.484 . . . . 1.18 111.598 -174.871 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -128.84 -15.6 4.32 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.62 -0.718 . . . . 1.94 111.108 -174.364 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 22.9 t -49.91 -22.34 1.49 Allowed 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 115.33 -0.85 . . . . 2.82 111.575 174.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 94.32 9.3 59.28 Favored Glycine 0 CA--C 1.52 0.39 0 C-N-CA 120.632 -0.794 . . . . 1.96 114.406 171.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.705 ' O ' ' HB3' ' A' ' 55' ' ' ARG . 4.1 mppt? -104.17 104.03 41.64 Favored Pre-proline 0 C--O 1.214 -0.789 0 CA-C-N 117.858 0.829 . . . . 3.54 110.107 177.811 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.416 ' C ' ' H ' ' A' ' 55' ' ' ARG . 9.6 Cg_endo -49.82 151.14 8.5 Favored 'Trans proline' 0 N--CA 1.474 0.352 0 C-N-CA 123.242 2.628 . . . . 2.1 113.256 -168.106 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 14.3 t70 84.77 -21.9 0.23 Allowed 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 124.52 1.128 . . . . 2.44 108.954 -174.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.705 ' HB3' ' O ' ' A' ' 52' ' ' LYS . 24.6 ptt-85 -42.41 133.97 3.12 Favored 'General case' 0 C--O 1.239 0.508 0 CA-C-N 114.567 -1.197 . . . . 4.72 113.368 169.222 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 76.5 m-85 -139.23 159.05 43.06 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 109.161 -0.681 . . . . 1.39 109.161 166.544 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -117.02 134.14 55.12 Favored 'General case' 0 C--N 1.317 -0.844 0 N-CA-C 108.604 -0.888 . . . . 1.1 108.604 179.363 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.551 ' HG3' ' CE2' ' A' ' 45' ' ' PHE . 1.8 tmt? -143.21 140.49 30.74 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.917 0.389 . . . . 1.22 110.346 -176.412 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -130.82 141.21 50.33 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.069 0.461 . . . . 1.77 111.697 -177.699 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.499 ' ND2' ' HZ1' ' A' ' 43' ' ' LYS . 0.7 OUTLIER -112.91 85.51 2.19 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 107.037 -1.468 . . . . 1.55 107.037 173.076 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 85.9 mt -89.14 135.35 33.61 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 120.783 0.325 . . . . 2.22 110.958 -173.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.452 ' HA ' ' O ' ' A' ' 40' ' ' GLY . 18.5 p -136.66 -158.03 0.83 Allowed 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.194 -0.669 . . . . 1.16 109.194 -179.24 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 64.5 p -102.33 -17.65 15.79 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-O 121.017 0.437 . . . . 1.14 111.448 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 48.1 mmtm -112.57 -55.32 2.53 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.93 0.395 . . . . 2.64 111.187 -175.758 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 16.2 tppt? -127.02 126.16 42.66 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 116.107 -0.497 . . . . 2.34 110.296 -178.674 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -111.53 150.55 29.82 Favored 'General case' 0 C--N 1.318 -0.761 0 N-CA-C 108.888 -0.782 . . . . 2.12 108.888 179.297 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.493 ' HG1' ' HB2' ' A' ' 60' ' ' ASN . 34.3 p -124.94 152.68 43.8 Favored 'General case' 0 C--N 1.317 -0.847 0 N-CA-C 110.221 -0.288 . . . . 1.17 110.221 179.444 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 21.1 t-160 -136.76 83.13 1.98 Allowed 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.044 0.45 . . . . 2.5 110.097 -178.775 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.514 ' HD2' ' SD ' ' A' ' 58' ' ' MET . 27.4 m-70 -73.71 88.16 1.72 Allowed 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 108.953 -0.758 . . . . 0.48 108.953 177.445 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 8.8 ptpt -89.68 135.17 33.77 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 112.455 0.539 . . . . 2.79 112.455 -178.18 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 46.67 61.33 2.85 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 114.038 -1.437 . . . . 2.07 112.809 174.085 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 55.2 p-90 -100.1 149.35 23.59 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.118 -0.946 . . . . 0.51 109.231 172.465 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.567 ' O ' ' HB2' ' A' ' 76' ' ' GLU . . . -116.93 154.02 31.57 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 116.383 -0.371 . . . . 1.22 110.084 179.193 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.799 ' HG ' ' O ' ' A' ' 1' ' ' LYS . 3.8 mm? -59.22 128.29 36.42 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.099 0.476 . . . . 2.28 111.175 174.292 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 86.19 6.68 81.24 Favored Glycine 0 N--CA 1.447 -0.624 0 CA-C-N 115.486 -0.779 . . . . 0.66 111.794 -178.551 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.567 ' HB2' ' O ' ' A' ' 73' ' ' ALA . 9.8 mm-40 -103.18 150.56 23.56 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.513 0.673 . . . . 2.37 111.648 -178.25 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.498 ' HA ' ' O ' ' A' ' 90' ' ' ILE . 28.8 tt0 -130.72 118.33 20.73 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 114.648 -1.16 . . . . 1.4 108.734 -177.078 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 48.0 p90 -128.88 151.88 49.14 Favored 'General case' 0 C--N 1.317 -0.818 0 N-CA-C 110.24 -0.282 . . . . 0.69 110.24 -176.613 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.442 ' HA ' ' O ' ' A' ' 88' ' ' HIS . 1.8 mp0 -84.85 147.73 26.65 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 108.893 -0.781 . . . . 2.38 108.893 174.794 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -164.92 165.69 20.12 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.47 -0.332 . . . . 1.26 110.27 -171.163 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.487 ' O ' HG23 ' A' ' 67' ' ' THR . 34.1 tt0 -101.63 97.36 7.79 Favored 'General case' 0 CA--C 1.514 -0.431 0 N-CA-C 108.832 -0.803 . . . . 2.26 108.832 178.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -84.15 176.59 8.68 Favored 'General case' 0 C--N 1.314 -0.967 0 CA-C-N 114.992 -1.004 . . . . 1.61 112.899 -171.185 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.532 ' H ' HD21 ' A' ' 83' ' ' LEU . 2.4 mm? -54.75 -38.79 67.6 Favored 'General case' 0 CA--C 1.515 -0.389 0 CA-C-O 121.454 0.645 . . . . 1.98 109.641 179.323 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.597 ' HA ' H142 ' A' 1001 ' ' OLA . 6.4 p-10 -74.93 8.85 2.21 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 114.887 -1.051 . . . . 1.55 111.033 -173.85 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 7.4 m 64.45 38.01 7.84 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 115.221 -0.9 . . . . 1.68 111.895 169.284 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 25.0 p -122.93 161.43 24.2 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.964 -0.562 . . . . 1.5 110.642 174.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 10.4 mm100 -106.53 79.94 1.42 Allowed 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 107.92 -1.141 . . . . 1.88 107.92 176.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . 0.522 ' HB2' ' HA ' ' A' ' 106' ' ' LYS . 10.0 p-80 -124.81 173.68 8.43 Favored 'General case' 0 C--N 1.313 -1.012 0 C-N-CA 119.971 -0.692 . . . . 1.51 111.241 -164.473 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.514 ' O ' ' HD2' ' A' ' 88' ' ' HIS . 62.7 pttt -85.73 136.21 33.44 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-O 121.442 0.639 . . . . 1.95 110.356 -178.388 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.498 ' O ' ' HA ' ' A' ' 77' ' ' GLU . 7.6 mt -131.4 127.07 59.45 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.848 0 CA-C-N 115.498 -0.774 . . . . 1.19 110.72 -171.494 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 15.8 m -117.37 141.83 47.84 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 120.895 0.379 . . . . 1.12 111.235 -178.101 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 37.3 m-85 -117.81 133.01 56.36 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.595 -0.73 . . . . 0.81 109.109 174.569 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -153.97 142.45 20.71 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.9 0.381 . . . . 1.69 110.801 -175.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.404 HD22 HD13 ' A' ' 74' ' ' LEU . 0.4 OUTLIER -87.61 114.83 24.59 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 108.978 -0.749 . . . . 1.81 108.978 177.016 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 59.7 tttp -86.46 -42.04 13.92 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.14 -0.689 . . . . 3.48 109.14 -175.122 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -155.41 164.79 20.0 Favored Pre-proline 0 C--N 1.319 -0.718 0 N-CA-C 106.935 -1.506 . . . . 1.79 106.935 172.238 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_exo -58.79 0.32 0.43 Allowed 'Trans proline' 0 N--CA 1.48 0.696 0 C-N-CA 123.309 2.673 . . . . 1.07 114.762 -172.756 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . 0.44 ' O ' ' HA ' ' A' ' 119' ' ' ARG . 7.4 t30 -135.31 18.97 3.38 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.043 0.449 . . . . 2.63 109.996 177.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 25.6 m -145.08 107.01 4.28 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-O 121.182 0.515 . . . . 1.26 111.839 179.347 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.413 ' HB3' ' HB2' ' A' ' 118' ' ' TYR . 0.8 OUTLIER -93.38 136.95 33.16 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.696 -1.224 . . . . 1.78 107.696 170.852 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 17.5 p -112.71 128.86 56.52 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 119.117 0.871 . . . . 1.11 111.452 179.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 69.5 tt0 -111.33 102.57 10.96 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.325 -0.852 . . . . 1.31 109.12 175.021 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 25.0 m -98.19 114.76 27.1 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.105 0.479 . . . . 1.12 111.033 -174.813 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 39.5 m170 -96.1 100.52 12.16 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.913 -0.585 . . . . 2.22 110.179 176.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.483 ' O ' ' HB2' ' A' ' 88' ' ' HIS . 17.9 mt -104.81 113.48 41.95 Favored 'Isoleucine or valine' 0 C--O 1.238 0.455 0 CA-C-O 121.177 0.513 . . . . 1.36 111.164 176.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.522 ' HA ' ' HB2' ' A' ' 88' ' ' HIS . 42.2 mtmt -63.63 117.31 6.63 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.369 -0.832 . . . . 2.12 111.134 179.361 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 11.4 m -57.63 -26.64 27.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.266 -0.879 . . . . 2.03 111.036 175.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -76.65 -51.9 10.67 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.498 -0.773 . . . . 2.5 110.771 179.762 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -138.85 91.93 11.46 Favored Pre-proline 0 CA--C 1.515 -0.371 0 CA-C-O 121.307 0.575 . . . . 2.39 110.081 -179.695 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 68.2 Cg_endo -73.73 8.92 1.76 Allowed 'Trans proline' 0 N--CA 1.464 -0.244 0 C-N-CA 123.566 2.844 . . . . 0.91 113.204 -176.08 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 41.7 p -92.29 -23.25 19.35 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.5 0.667 . . . . 1.91 110.185 175.153 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . 0.466 ' HB3' ' HE2' ' A' ' 106' ' ' LYS . 37.0 t70 -108.27 46.88 0.93 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.282 -0.872 . . . . 1.59 109.838 -175.688 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.411 HG12 ' HA ' ' A' ' 105' ' ' ILE . 14.5 m -70.29 -179.04 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.171 -0.922 . . . . 2.17 112.049 179.674 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -153.82 143.48 21.75 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.582 -0.736 . . . . 2.78 109.391 176.28 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 23.8 m -143.09 140.52 30.93 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.138 0.494 . . . . 1.18 111.478 -176.722 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -118.68 162.51 18.29 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 107.381 -1.34 . . . . 1.49 107.381 174.195 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . 0.494 ' HB2' ' HB3' ' A' ' 128' ' ' LYS . 30.3 mt-10 -135.17 123.87 23.76 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 108.131 -1.063 . . . . 1.53 108.131 179.444 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . 0.413 ' HB2' ' HB3' ' A' ' 100' ' ' LEU . 40.1 m-85 -93.42 115.83 28.37 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-O 120.887 0.375 . . . . 1.0 110.381 -175.883 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . 0.44 ' HA ' ' O ' ' A' ' 98' ' ' ASN . 88.7 mtm180 -120.46 157.1 30.09 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.822 -0.626 . . . . 3.96 110.327 -178.326 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . 0.488 ' HG2' ' CE1' ' A' ' 7' ' ' PHE . 12.1 mmm180 -102.48 140.37 36.85 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 110.235 -0.283 . . . . 2.25 110.235 174.721 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -142.28 89.3 2.15 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.557 -0.534 . . . . 1.08 109.557 173.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 71.55 -113.11 4.46 Favored Glycine 0 N--CA 1.446 -0.634 0 N-CA-C 111.052 -0.819 . . . . 1.04 111.052 -175.071 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -107.49 12.31 27.96 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.058 0.456 . . . . 2.31 110.409 176.746 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 -106.74 140.55 39.42 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 116.072 -0.513 . . . . 1.17 111.122 -179.196 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -91.89 117.62 29.97 Favored 'General case' 0 N--CA 1.449 -0.524 0 N-CA-C 107.479 -1.304 . . . . 1.66 107.479 170.613 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 72.1 t -111.55 120.08 61.28 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.855 0 CA-C-O 121.153 0.502 . . . . 1.1 110.29 -172.286 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' MET . . . . . 0.536 ' O ' ' HA ' ' A' ' 137' ' ' SER . 31.1 ttm -93.02 136.59 33.15 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-N 115.572 -0.74 . . . . 1.4 110.418 -179.312 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . 0.494 ' HB3' ' HB2' ' A' ' 117' ' ' GLU . 23.9 tptm -119.85 116.27 25.53 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 109.301 -0.629 . . . . 2.68 109.301 178.338 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' MET . . . . . 0.555 ' HE2' ' CE1' ' A' ' 22' ' ' TYR . 16.3 mtp -122.79 133.73 54.44 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 108.445 -0.946 . . . . 1.66 108.445 -179.803 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' SER . . . . . 0.411 ' HA ' ' O ' ' A' ' 134' ' ' VAL . 10.8 p -141.19 129.68 22.57 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.185 0.517 . . . . 1.5 111.615 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' TRP . . . . . 0.429 ' CD1' ' HG3' ' A' ' 132' ' ' LYS . 53.1 t-105 -144.93 130.23 18.66 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.318 -0.855 . . . . 0.88 110.085 178.526 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . 0.429 ' HG3' ' CD1' ' A' ' 131' ' ' TRP . 67.8 mttm 51.51 44.26 29.15 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 121.196 0.522 . . . . 2.42 111.245 -177.451 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 80.93 -22.14 5.18 Favored Glycine 0 CA--C 1.52 0.353 0 CA-C-N 115.725 -0.67 . . . . 0.53 113.016 179.616 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . 0.411 ' O ' ' HA ' ' A' ' 130' ' ' SER . 27.7 t -74.85 107.83 5.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 N-CA-C 110.159 -0.312 . . . . 1.13 110.159 -177.73 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 1.2 m -102.71 137.21 41.23 Favored 'General case' 0 N--CA 1.433 -1.285 0 CA-C-O 121.134 0.493 . . . . 1.64 110.992 -179.739 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' THR . . . . . 0.497 ' CG2' ' HB2' ' A' ' 129' ' ' MET . 6.2 t -134.81 135.63 41.92 Favored 'General case' 0 C--N 1.309 -1.171 0 CA-C-N 115.344 -0.843 . . . . 1.1 110.22 179.615 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' SER . . . . . 0.536 ' HA ' ' O ' ' A' ' 127' ' ' MET . 62.0 m -116.47 110.0 18.04 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.242 -0.435 . . . . 1.06 109.961 176.068 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . 0.443 ' NH1' ' H62' ' A' 1001 ' ' OLA . 29.7 mtp180 -90.2 131.42 36.04 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.232 -0.655 . . . . 2.41 109.232 177.392 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -100.41 112.22 24.55 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.196 0.522 . . . . 1.03 111.091 -174.624 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 68.8 m-85 -107.76 135.03 49.87 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.252 -0.885 . . . . 0.92 108.841 177.116 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 13.3 ptpt -108.45 168.17 9.51 Favored 'General case' 0 C--N 1.309 -1.154 0 N-CA-C 107.565 -1.272 . . . . 2.41 107.565 172.728 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . 0.403 ' O ' ' HG3' ' A' ' 12' ' ' LYS . 78.5 tttt -57.24 170.19 0.51 Allowed 'General case' 0 C--N 1.313 -1.003 0 CA-C-O 121.251 0.548 . . . . 2.59 110.888 174.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . 0.526 ' HA ' HE21 ' A' ' 143' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--O 1.248 0.976 0 O-C-N 121.33 -0.856 . . . . 1.74 109.838 160.633 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1001 ' ' OLA . . . . . 0.6 ' H9 ' ' HA ' ' A' ' 36' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' -11' ' ' MET . . . . . . . . . . . . . 14.3 tpt . . . . . 0 N--CA 1.482 1.153 0 CA-C-O 120.582 0.229 . . . . 14.72 110.563 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' -10' ' ' ARG . . . . . . . . . . . . . 9.4 ptp180 -140.6 24.28 2.25 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.821 0.343 . . . . 16.38 110.541 177.057 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' -9' ' ' GLY . . . . . . . . . . . . . . . 90.63 99.93 1.18 Allowed Glycine 0 N--CA 1.445 -0.728 0 C-N-CA 120.501 -0.857 . . . . 12.05 111.822 -176.513 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' -8' ' ' SER . . . . . . . . . . . . . 48.8 m -82.33 54.11 2.48 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.279 0.562 . . . . 11.72 111.706 -176.647 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' -7' ' ' HIS . . . . . . . . . . . . . 15.9 t60 -132.39 -67.81 0.64 Allowed 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.806 -0.813 . . . . 12.39 108.806 173.321 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' -6' ' ' HIS . . . . . . . . . . . . . 9.0 t-160 -88.35 126.72 35.34 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 108.347 -0.983 . . . . 11.6 108.347 175.074 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' -5' ' ' HIS . . . . . . . . . . . . . 66.5 m-70 65.34 43.22 3.58 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 120.939 0.399 . . . . 9.98 110.773 -174.023 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' -4' ' ' HIS . . . . . . . . . . . . . 24.2 p-80 -78.13 -42.8 30.74 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.864 -0.421 . . . . 11.3 109.864 178.138 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' -3' ' ' HIS . . . . . . . . . . . . . 43.1 m-70 -162.39 76.46 0.46 Allowed 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 108.773 -0.825 . . . . 9.34 108.773 177.722 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 25.5 t-80 -95.92 -4.0 44.24 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.207 0.527 . . . . 7.77 110.322 -175.491 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 92.14 -155.57 23.03 Favored Glycine 0 N--CA 1.442 -0.961 0 C-N-CA 120.583 -0.818 . . . . 3.92 112.161 179.38 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 3.0 m -82.8 136.38 34.68 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-O 120.866 0.365 . . . . 3.42 111.037 -176.396 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 52.1 mttp -67.93 124.0 22.16 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 107.179 -1.415 . . . . 3.45 107.179 166.212 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 2.0 m -70.82 126.34 29.33 Favored 'General case' 0 C--N 1.319 -0.739 0 C-N-CA 120.395 -0.522 . . . . 1.44 110.533 -172.558 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.419 HD23 ' HA ' ' A' ' 3' ' ' LEU . 5.7 mt -62.05 123.84 79.54 Favored Pre-proline 0 C--N 1.323 -0.58 0 CA-C-N 115.487 -0.779 . . . . 1.33 111.508 179.548 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_exo -59.8 135.44 63.63 Favored 'Trans proline' 0 N--CA 1.458 -0.585 0 C-N-CA 122.722 2.281 . . . . 0.81 110.567 171.119 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.404 ' HA ' HD13 ' A' ' 8' ' ' LEU . 6.1 m-20 -54.76 -21.79 12.14 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 115.978 -0.556 . . . . 2.19 111.824 -178.442 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.577 ' O ' ' HD3' ' A' ' 120' ' ' ARG . 67.9 mttm -59.79 -26.92 66.12 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.309 0.485 . . . . 3.1 112.309 176.31 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -99.65 -0.48 40.17 Favored 'General case' 0 C--N 1.328 -0.327 0 O-C-N 122.036 -0.415 . . . . 0.74 110.258 -179.228 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.418 ' HA ' ' HB2' ' A' ' 45' ' ' PHE . 89.5 mt -102.64 145.42 29.69 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.184 0.516 . . . . 1.12 111.438 -174.177 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 127.24 -173.97 18.43 Favored Glycine 0 N--CA 1.446 -0.693 0 CA-C-N 115.441 -0.8 . . . . 0.52 111.559 -176.355 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.451 HG21 ' HG2' ' A' ' 44' ' ' LYS . 36.1 m -110.95 123.23 49.75 Favored 'General case' 0 N--CA 1.446 -0.625 0 N-CA-C 109.994 -0.373 . . . . 1.62 109.994 177.082 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.427 ' HA ' ' HA ' ' A' ' 142' ' ' LYS . 56.9 m-85 -118.24 136.07 53.89 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.317 -0.401 . . . . 0.57 111.166 -174.749 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.7 ' HB3' ' NE2' ' A' ' 143' ' ' GLN . 21.7 ptmt -101.05 132.4 46.51 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 120.061 -0.656 . . . . 2.65 111.7 173.591 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.57 HD22 ' CE2' ' A' ' 140' ' ' TYR . 2.8 tm? -58.35 129.58 42.67 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 115.127 -0.942 . . . . 1.79 110.816 176.606 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -106.48 -46.99 3.88 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.363 -0.381 . . . . 2.08 111.533 -179.551 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 2.2 ptm180 -162.44 -174.38 4.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.908 0.385 . . . . 3.92 110.901 -178.666 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -143.84 163.8 32.35 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.808 -0.633 . . . . 1.19 110.387 -179.277 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -145.74 118.47 8.64 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.571 -0.286 . . . . 2.66 110.628 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 42.4 t30 73.17 22.0 2.97 Favored 'General case' 0 N--CA 1.477 0.904 0 CA-C-O 121.764 0.792 . . . . 0.97 110.427 179.542 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.484 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 9.7 t80 -75.89 -42.2 49.83 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.103 -0.953 . . . . 0.64 111.273 -171.604 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.424 ' O ' ' HG3' ' A' ' 24' ' ' LYS . 8.2 p-10 -60.51 -42.05 95.61 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 121.176 -0.21 . . . . 2.04 110.564 177.711 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 22.9 mm-40 -54.18 -46.12 72.28 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.442 -0.345 . . . . 1.79 110.727 175.657 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 43.6 t80 -58.76 -39.65 81.62 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.293 -0.412 . . . . 1.12 110.71 176.575 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.484 ' HG ' ' O ' ' A' ' 19' ' ' PHE . 88.7 mt -67.5 -38.67 84.66 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.309 -0.405 . . . . 1.13 110.576 -175.448 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.424 ' HG3' ' O ' ' A' ' 20' ' ' ASP . 89.8 mttt -64.25 -50.26 68.66 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.841 -0.618 . . . . 2.43 110.054 177.118 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.04 -36.61 75.31 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.344 -0.844 . . . . 1.2 111.021 178.134 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.485 ' HA ' ' CD1' ' A' ' 131' ' ' TRP . 16.0 tpt180 -70.7 -17.81 62.82 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.786 -0.643 . . . . 1.71 111.14 -178.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 95.61 28.16 9.85 Favored Glycine 0 N--CA 1.447 -0.618 0 C-N-CA 120.766 -0.73 . . . . 0.62 112.762 179.428 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.416 ' HH ' H151 ' A' 1001 ' ' OLA . 48.8 m-85 -92.66 129.38 38.6 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.871 0.367 . . . . 0.99 110.397 175.808 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -74.9 178.68 45.87 Favored Glycine 0 N--CA 1.445 -0.703 0 CA-C-N 115.668 -0.697 . . . . 1.54 111.921 177.139 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.505 ' O ' ' HG2' ' A' ' 34' ' ' GLN . 90.4 t90 -50.63 -54.75 20.32 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 122.759 0.424 . . . . 1.31 111.901 -176.513 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.428 HD12 ' HA ' ' A' ' 31' ' ' ILE . 1.2 mm -52.77 -54.58 15.44 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.314 0 N-CA-C 111.989 0.366 . . . . 2.68 111.989 -178.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.75 -45.02 82.3 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.634 -0.257 . . . . 1.16 110.838 177.438 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.426 ' O ' ' HG3' ' A' ' 37' ' ' LYS . 41.5 ttp180 -65.46 -21.01 66.6 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.186 0.517 . . . . 2.48 110.74 -177.838 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.505 ' HG2' ' O ' ' A' ' 30' ' ' TRP . 16.9 mm100 -84.02 -39.36 19.73 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.855 -0.611 . . . . 2.4 110.34 177.356 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 55.7 t -73.5 -57.45 6.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.26 -0.427 . . . . 1.33 111.111 -176.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.527 ' CG2' H183 ' A' 1001 ' ' OLA . 66.8 mt -47.43 -35.76 4.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 N-CA-C 113.753 1.02 . . . . 1.25 113.753 179.431 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.426 ' HG3' ' O ' ' A' ' 33' ' ' ARG . 40.3 mtmt -77.09 -21.83 53.72 Favored 'General case' 0 N--CA 1.467 0.39 0 O-C-N 121.967 -0.458 . . . . 1.62 111.681 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 54.9 mt -90.3 -13.58 34.96 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.245 0.545 . . . . 2.6 110.305 -179.443 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -75.82 109.21 9.24 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.407 -0.815 . . . . 1.15 111.049 -178.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -77.97 154.92 41.92 Favored Glycine 0 N--CA 1.444 -0.83 0 N-CA-C 110.387 -1.085 . . . . 0.84 110.387 174.159 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 43.9 t -133.71 131.82 56.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-O 121.228 0.537 . . . . 1.88 110.723 -175.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 23.7 m -107.34 107.14 17.91 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.766 -0.652 . . . . 1.13 109.761 175.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.781 ' HE3' ' SD ' ' A' ' 127' ' ' MET . 74.2 mmtt -84.14 129.52 34.89 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.098 -0.501 . . . . 1.45 110.029 179.378 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.565 ' O ' ' HA ' ' A' ' 58' ' ' MET . 10.2 mtpm? -128.81 106.06 8.67 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 120.811 0.339 . . . . 2.46 110.726 177.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.418 ' HB2' ' HA ' ' A' ' 8' ' ' LEU . 91.4 m-85 -109.86 120.65 43.15 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 109.251 -0.648 . . . . 0.63 109.251 177.018 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 15.3 ptm180 -149.13 162.85 39.15 Favored 'General case' 0 C--N 1.319 -0.735 0 C-N-CA 120.68 -0.408 . . . . 3.72 111.072 -178.545 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.433 ' HA ' ' CD2' ' A' ' 56' ' ' TYR . 1.9 t-20 -65.83 144.26 56.95 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 107.602 -1.259 . . . . 1.9 107.602 171.676 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -47.14 130.29 12.63 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-O 121.554 0.693 . . . . 1.18 111.997 -171.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.401 ' C ' ' H ' ' A' ' 51' ' ' GLY . . . -67.11 -34.23 77.16 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 114.235 -1.348 . . . . 1.94 111.697 -169.148 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 19.3 m -72.44 13.22 0.36 Allowed 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 112.233 0.457 . . . . 2.82 112.233 178.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.401 ' H ' ' C ' ' A' ' 49' ' ' ALA . . . 76.03 29.09 59.35 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.8 -0.714 . . . . 1.96 113.074 177.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -92.93 123.46 61.24 Favored Pre-proline 0 C--N 1.323 -0.584 0 N-CA-C 110.087 -0.338 . . . . 3.54 110.087 177.124 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.464 ' O ' ' HB3' ' A' ' 54' ' ' ASP . 72.0 Cg_endo -76.01 146.33 29.05 Favored 'Trans proline' 0 N--CA 1.46 -0.462 0 C-N-CA 122.606 2.204 . . . . 2.1 111.761 177.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.464 ' HB3' ' O ' ' A' ' 53' ' ' PRO . 19.6 t70 78.73 -52.94 0.47 Allowed 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 123.803 0.841 . . . . 2.44 109.528 -179.857 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 4.1 tpp180 -55.89 132.36 49.44 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 114.804 -1.089 . . . . 4.72 110.689 172.426 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.433 ' CD2' ' HA ' ' A' ' 47' ' ' ASN . 48.4 m-85 -113.95 171.02 7.85 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.296 0.569 . . . . 1.39 111.837 179.124 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -132.74 135.45 45.75 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.269 -0.878 . . . . 1.1 108.662 176.667 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.577 ' HE2' ' OD1' ' A' ' 60' ' ' ASN . 1.5 tmt? -144.2 142.73 30.69 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.594 -0.521 . . . . 1.22 109.594 -176.481 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.439 ' HG2' ' HB2' ' A' ' 44' ' ' LYS . 15.6 pt-20 -149.44 157.97 43.77 Favored 'General case' 0 C--N 1.319 -0.745 0 C-N-CA 120.457 -0.497 . . . . 1.77 111.687 -179.395 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.577 ' OD1' ' HE2' ' A' ' 58' ' ' MET . 31.9 m-80 -130.31 98.98 4.87 Favored 'General case' 0 CA--C 1.513 -0.465 0 CA-C-N 115.281 -0.872 . . . . 1.55 109.7 -178.389 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 93.6 mt -92.01 125.28 36.64 Favored 'General case' 0 C--N 1.316 -0.85 0 N-CA-C 109.752 -0.462 . . . . 2.22 109.752 176.704 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 29.9 p -126.73 -158.33 0.86 Allowed 'General case' 0 N--CA 1.446 -0.647 0 N-CA-C 109.966 -0.383 . . . . 1.16 109.966 -175.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 74.3 p -98.0 -36.29 10.17 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-O 121.151 0.5 . . . . 1.14 110.668 -178.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -102.02 -24.23 14.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.712 -0.676 . . . . 2.64 111.416 -175.608 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.635 ' HG3' ' H ' ' A' ' 66' ' ' ASP . 19.6 tptp -138.49 -146.31 0.21 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.013 0.435 . . . . 2.34 110.227 -174.851 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.635 ' H ' ' HG3' ' A' ' 65' ' ' LYS . 7.7 p-10 163.5 147.69 0.01 OUTLIER 'General case' 0 C--N 1.31 -1.132 0 CA-C-N 114.82 -1.082 . . . . 2.12 108.853 -165.542 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.528 ' HG1' ' HB2' ' A' ' 60' ' ' ASN . 22.3 p -150.5 150.22 30.99 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 108.386 -0.968 . . . . 1.17 108.386 173.512 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 3.5 t-160 -144.12 99.06 3.32 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.419 0.628 . . . . 2.5 109.977 175.276 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 8.8 m-70 -79.6 81.47 5.86 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.021 -0.99 . . . . 0.48 109.289 179.565 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 61.8 mttm -71.65 122.11 19.99 Favored 'General case' 0 C--O 1.235 0.328 0 N-CA-C 112.368 0.507 . . . . 2.79 112.368 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 30.6 m-20 59.41 68.83 0.76 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.07 -0.968 . . . . 2.07 111.312 171.397 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 68.4 p-90 -109.26 144.18 37.74 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 116.032 -0.531 . . . . 0.51 109.836 177.007 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -111.71 136.31 51.13 Favored 'General case' 0 C--N 1.316 -0.869 0 N-CA-C 109.227 -0.657 . . . . 1.22 109.227 176.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.464 ' CD2' ' HA ' ' A' ' 93' ' ' ASP . 6.2 tt -61.77 129.91 43.24 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-O 121.322 0.582 . . . . 2.28 109.985 178.04 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 91.7 9.92 62.22 Favored Glycine 0 N--CA 1.448 -0.539 0 CA-C-N 115.534 -0.757 . . . . 0.66 111.923 -171.391 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -124.6 166.09 16.72 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 110.138 -0.319 . . . . 2.37 110.138 -178.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.445 ' HA ' ' O ' ' A' ' 90' ' ' ILE . 9.8 pt-20 -131.98 146.85 52.34 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.578 -0.897 . . . . 1.4 108.578 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 17.5 p90 -142.17 156.98 45.37 Favored 'General case' 0 C--N 1.308 -1.211 0 CA-C-N 116.557 -0.292 . . . . 0.69 111.409 -176.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -79.1 141.77 37.03 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.349 -0.612 . . . . 2.38 109.349 174.148 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -154.93 158.74 39.71 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 121.135 -0.226 . . . . 1.26 110.668 -174.158 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.517 ' O ' HG21 ' A' ' 67' ' ' THR . 30.9 tt0 -99.06 84.31 3.03 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 108.076 -1.083 . . . . 2.26 108.076 174.708 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -67.73 170.07 8.51 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 114.52 -1.218 . . . . 1.61 113.9 -165.589 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -54.43 -36.12 63.68 Favored 'General case' 0 CA--C 1.519 -0.237 0 CA-C-N 115.873 -0.603 . . . . 1.98 110.47 179.698 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.52 ' HA ' H131 ' A' 1001 ' ' OLA . 9.1 p-10 -79.06 17.99 0.69 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.554 -0.748 . . . . 1.55 111.918 -175.632 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 17.6 m 61.78 34.34 17.29 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 115.705 -0.679 . . . . 1.68 112.13 169.515 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 30.6 p -129.69 170.45 13.8 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 116.143 -0.48 . . . . 1.5 110.23 177.318 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 7.8 mm100 -109.04 118.68 37.42 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 108.071 -1.085 . . . . 1.88 108.071 176.736 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . 0.6 ' HB2' ' O ' ' A' ' 105' ' ' ILE . 19.9 p80 -160.96 176.34 11.51 Favored 'General case' 0 C--N 1.318 -0.795 0 C-N-CA 120.169 -0.612 . . . . 1.51 112.233 179.023 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.52 ' HG3' ' HB ' ' A' ' 105' ' ' ILE . 17.9 ptmt -82.5 152.99 25.82 Favored 'General case' 0 N--CA 1.445 -0.718 0 CA-C-N 115.359 -0.837 . . . . 1.95 109.996 -177.489 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.445 ' O ' ' HA ' ' A' ' 77' ' ' GLU . 65.0 mt -142.98 124.03 11.16 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.951 0 CA-C-N 115.438 -0.801 . . . . 1.19 109.697 -178.765 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 16.9 m -111.21 140.51 45.71 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 116.017 -0.538 . . . . 1.12 110.64 -177.761 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -115.89 140.61 49.07 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 109.167 -0.679 . . . . 0.81 109.167 175.552 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.464 ' HA ' ' CD2' ' A' ' 74' ' ' LEU . 7.8 t0 -166.97 165.87 15.66 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.691 -0.485 . . . . 1.69 109.691 178.875 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.402 ' CD2' ' HA ' ' A' ' 100' ' ' LEU . 3.5 mt -103.6 127.56 51.01 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.869 0.366 . . . . 1.81 110.151 177.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 42.7 tttm -83.26 -47.21 11.76 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 107.279 -1.378 . . . . 3.48 107.279 173.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.47 ' C ' ' H ' ' A' ' 98' ' ' ASN . 12.9 m-20 -135.97 166.12 30.61 Favored Pre-proline 0 C--N 1.319 -0.733 0 N-CA-C 106.653 -1.61 . . . . 1.79 106.653 171.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 14.9 Cg_exo -70.96 6.83 1.54 Allowed 'Trans proline' 0 CA--C 1.528 0.199 0 C-N-CA 122.433 2.089 . . . . 1.07 110.979 176.294 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . 0.47 ' H ' ' C ' ' A' ' 96' ' ' ASP . 16.8 m120 -121.87 9.38 10.03 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 114.847 -1.07 . . . . 2.63 110.066 178.418 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 58.5 m -154.31 109.52 3.12 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-O 121.333 0.587 . . . . 1.26 112.159 -178.279 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.466 ' HB3' ' HB2' ' A' ' 118' ' ' TYR . 28.8 tp -87.66 143.65 27.07 Favored 'General case' 0 C--O 1.215 -0.733 0 CA-C-N 115.165 -0.925 . . . . 1.78 108.696 171.802 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 17.1 p -121.53 133.67 55.03 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 118.934 0.788 . . . . 1.11 111.577 179.62 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 62.0 tt0 -112.29 100.15 8.57 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.873 -0.788 . . . . 1.31 108.873 174.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 37.0 m -96.13 111.87 23.78 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.185 0.517 . . . . 1.12 110.842 -174.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . 0.462 ' HB3' ' CE1' ' A' ' 88' ' ' HIS . 39.4 m170 -93.46 108.42 20.11 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.825 -0.625 . . . . 2.22 109.849 179.841 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.6 ' O ' ' HB2' ' A' ' 88' ' ' HIS . 29.3 mt -110.98 118.69 57.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-O 121.224 0.535 . . . . 1.36 110.947 178.611 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.58 ' HA ' ' CB ' ' A' ' 88' ' ' HIS . 97.5 mttt -64.26 114.92 4.56 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.486 -0.779 . . . . 2.12 111.619 177.414 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.428 HG11 ' H ' ' A' ' 89' ' ' LYS . 14.2 m -58.07 -23.38 21.29 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-N 114.957 -1.019 . . . . 2.03 111.844 178.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -81.71 -42.13 20.3 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.277 -0.42 . . . . 2.5 110.453 178.712 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -146.03 98.08 4.43 Favored Pre-proline 0 C--N 1.322 -0.614 0 CA-C-O 121.456 0.646 . . . . 2.39 110.203 -178.502 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -75.37 17.35 0.64 Allowed 'Trans proline' 0 C--N 1.331 -0.351 0 C-N-CA 123.496 2.797 . . . . 0.91 113.873 -177.011 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 65.5 p -107.95 -17.79 13.96 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.237 -0.585 . . . . 1.91 110.684 175.523 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -99.15 43.57 1.05 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 122.104 0.954 . . . . 1.59 109.033 178.369 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 23.5 m -64.72 -172.99 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 114.207 -1.361 . . . . 2.17 113.778 -178.5 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -165.05 143.0 6.23 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 114.474 -1.239 . . . . 2.78 108.511 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 50.7 m -144.26 131.48 20.7 Favored 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 120.259 -0.576 . . . . 1.18 112.208 -179.453 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' TYR . . . . . 0.414 ' CZ ' ' H21' ' A' 1001 ' ' OLA . 9.3 m-30 -111.09 160.44 16.88 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 106.813 -1.551 . . . . 1.49 106.813 172.224 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . 0.467 ' CG ' ' HB3' ' A' ' 128' ' ' LYS . 12.7 pt-20 -143.24 137.95 29.29 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 119.187 0.903 . . . . 1.53 109.471 176.41 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . 0.466 ' HB2' ' HB3' ' A' ' 100' ' ' LEU . 78.5 m-85 -107.14 114.84 29.16 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.685 -0.689 . . . . 1.0 111.194 -173.14 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 24.4 ptt180 -123.23 150.4 43.49 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.712 -0.676 . . . . 3.96 109.731 177.453 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . 0.577 ' HD3' ' O ' ' A' ' 6' ' ' LYS . 8.6 tpt180 -103.64 120.34 40.72 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.834 0.35 . . . . 2.25 110.82 -175.55 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -117.37 93.58 4.23 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.589 -0.523 . . . . 1.08 109.589 176.74 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 66.89 -114.64 6.56 Favored Glycine 0 N--CA 1.447 -0.623 0 C-N-CA 120.844 -0.693 . . . . 1.04 111.658 -176.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . 0.418 ' HA ' HH21 ' A' ' 120' ' ' ARG . 39.8 m-20 -99.77 3.94 45.11 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.038 0.446 . . . . 2.31 110.472 177.888 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . 0.673 ' CD2' ' HB3' ' A' ' 141' ' ' LYS . 80.6 m-85 -107.37 131.4 54.29 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.211 0.529 . . . . 1.17 111.574 -175.593 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.427 ' O ' ' HB2' ' A' ' 140' ' ' TYR . 3.2 tm? -86.87 113.6 22.8 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 107.491 -1.299 . . . . 1.66 107.491 173.294 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 54.6 t -111.8 134.44 54.22 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.951 0 N-CA-C 109.707 -0.479 . . . . 1.1 109.707 -171.509 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' MET . . . . . 0.781 ' SD ' ' HE3' ' A' ' 43' ' ' LYS . 94.1 mtp -110.81 153.54 25.24 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-N 116.097 -0.501 . . . . 1.4 111.117 -177.899 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . 0.467 ' HB3' ' CG ' ' A' ' 117' ' ' GLU . 33.8 tttm -134.3 134.69 42.16 Favored 'General case' 0 C--N 1.309 -1.154 0 CA-C-N 115.145 -0.934 . . . . 2.68 109.119 173.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' MET . . . . . 0.458 ' HG3' ' CG2' ' A' ' 136' ' ' THR . 7.7 ptm -142.24 130.38 22.07 Favored 'General case' 0 C--N 1.313 -0.98 0 N-CA-C 108.413 -0.958 . . . . 1.66 108.413 177.011 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -131.25 125.09 31.95 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.171 0.51 . . . . 1.5 111.912 -172.264 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' TRP . . . . . 0.485 ' CD1' ' HA ' ' A' ' 26' ' ' ARG . 52.4 t-105 -134.84 125.83 27.6 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.499 -0.773 . . . . 0.88 109.644 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 93.7 mttt 52.77 44.34 30.36 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.893 -0.594 . . . . 2.42 111.667 -177.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 85.51 -30.77 4.03 Favored Glycine 0 CA--C 1.519 0.312 0 C-N-CA 120.962 -0.637 . . . . 0.53 112.918 179.572 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 23.1 t -75.13 105.64 4.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 121.002 0.429 . . . . 1.13 110.454 -176.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -102.25 138.42 39.21 Favored 'General case' 0 N--CA 1.434 -1.231 0 CA-C-N 115.954 -0.567 . . . . 1.64 110.349 177.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' THR . . . . . 0.458 ' CG2' ' HG3' ' A' ' 129' ' ' MET . 3.3 t -129.61 142.33 50.76 Favored 'General case' 0 C--N 1.309 -1.19 0 CA-C-N 115.741 -0.663 . . . . 1.1 110.206 178.588 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' SER . . . . . 0.54 ' HA ' ' O ' ' A' ' 127' ' ' MET . 17.8 m -114.98 118.07 32.4 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.771 -0.65 . . . . 1.06 110.104 178.569 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . 0.464 ' NH1' ' H32' ' A' 1001 ' ' OLA . 60.3 mtp180 -94.33 140.2 30.1 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.378 -0.601 . . . . 2.41 109.378 177.094 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 -105.63 110.03 22.2 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.298 0.571 . . . . 1.03 111.489 -174.514 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 140' ' ' TYR . . . . . 0.57 ' CE2' HD22 ' A' ' 13' ' ' LEU . 14.6 m-85 -110.97 154.8 23.62 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.182 -0.917 . . . . 0.92 109.019 174.282 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . 0.673 ' HB3' ' CD2' ' A' ' 124' ' ' TYR . 0.0 OUTLIER -134.83 177.14 8.02 Favored 'General case' 0 C--N 1.311 -1.09 0 N-CA-C 107.069 -1.456 . . . . 2.41 107.069 163.582 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . 0.427 ' HA ' ' HA ' ' A' ' 11' ' ' PHE . 60.8 tttm -52.07 166.07 0.18 Allowed 'General case' 0 C--N 1.315 -0.924 0 CA-C-O 121.562 0.696 . . . . 2.59 111.328 176.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . 0.7 ' NE2' ' HB3' ' A' ' 12' ' ' LYS . 44.9 mm-40 . . . . . 0 C--N 1.316 -0.86 0 N-CA-C 108.984 -0.747 . . . . 1.74 108.984 159.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1001 ' ' OLA . . . . . 0.593 ' C9 ' H141 ' A' 1001 ' ' OLA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' -11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.481 1.086 0 CA-C-O 120.734 0.302 . . . . 14.72 110.802 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' -10' ' ' ARG . . . . . . . . . . . . . 21.3 tpp180 -156.16 92.92 1.38 Allowed 'General case' 0 N--CA 1.453 -0.301 0 N-CA-C 109.689 -0.485 . . . . 16.38 109.689 -179.171 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' -9' ' ' GLY . . . . . . . . . . . . . . . 105.98 5.45 38.21 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.79 -0.719 . . . . 12.05 112.233 -178.707 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' -8' ' ' SER . . . . . . . . . . . . . 15.0 m -66.92 142.16 57.38 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.536 0.208 . . . . 11.72 110.51 -179.591 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' -7' ' ' HIS . . . . . . . . . . . . . 85.7 m-70 60.31 26.92 16.44 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 116.02 -0.537 . . . . 12.39 111.402 -179.551 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' -6' ' ' HIS . . . . . . . . . . . . . 39.7 m80 -109.78 -29.96 8.07 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.862 -0.608 . . . . 11.6 109.766 174.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' -5' ' ' HIS . . . . . . . . . . . . . 92.1 m-70 65.39 -78.22 0.04 OUTLIER 'General case' 0 N--CA 1.462 0.165 0 CA-C-N 115.102 -0.954 . . . . 9.98 111.622 177.794 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' -4' ' ' HIS . . . . . . . . . . . . . 24.5 m-70 -86.33 112.19 21.19 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.659 -0.246 . . . . 11.3 110.676 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' -3' ' ' HIS . . . . . . . . . . . . . 19.3 m-70 -68.08 114.59 6.73 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.104 -0.702 . . . . 9.34 109.104 172.733 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 49.5 p-80 -136.36 144.13 44.44 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 116.261 -0.427 . . . . 7.77 111.432 -170.679 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -84.35 -28.81 32.18 Favored Glycine 0 N--CA 1.447 -0.593 0 N-CA-C 110.406 -1.078 . . . . 3.92 110.406 171.74 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 18.2 m -137.15 140.19 41.68 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.068 -0.715 . . . . 3.42 109.068 172.716 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . 0.499 ' HZ3' ' HB2' ' A' ' 1' ' ' LYS . 0.1 OUTLIER -81.74 129.97 34.9 Favored 'General case' 0 C--N 1.315 -0.906 0 N-CA-C 108.96 -0.756 . . . . 3.45 108.96 174.551 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 2.6 m -77.06 134.41 38.78 Favored 'General case' 0 C--N 1.312 -1.028 0 C-N-CA 120.65 -0.42 . . . . 1.44 110.072 -175.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.561 ' HB2' ' CE1' ' A' ' 56' ' ' TYR . 0.2 OUTLIER -59.38 120.0 44.37 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 115.783 -0.644 . . . . 1.33 110.579 -178.928 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.401 ' HD2' HD22 ' A' ' 3' ' ' LEU . 31.6 Cg_exo -57.81 130.58 39.2 Favored 'Trans proline' 0 N--CA 1.462 -0.333 0 C-N-CA 122.532 2.155 . . . . 0.81 110.795 174.065 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -59.8 -20.24 55.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.003 -0.544 . . . . 2.19 112.276 -175.075 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 57.7 mtmt -70.9 -7.3 44.8 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 111.998 0.37 . . . . 3.1 111.998 177.396 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 31.4 m-85 -93.38 -6.58 46.87 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.623 -0.51 . . . . 0.74 109.623 172.034 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.402 HD22 ' HB3' ' A' ' 45' ' ' PHE . 87.6 mt -100.8 156.97 17.06 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.462 0.649 . . . . 1.12 111.514 -171.534 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 131.31 -147.11 18.41 Favored Glycine 0 N--CA 1.443 -0.844 0 CA-C-N 114.813 -1.085 . . . . 0.52 111.34 -179.546 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.552 ' OG1' ' HG2' ' A' ' 44' ' ' LYS . 12.9 t -153.63 141.59 20.23 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-O 121.062 0.458 . . . . 1.62 110.096 177.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.6 ' HA ' ' HA ' ' A' ' 142' ' ' LYS . 64.8 m-85 -132.12 135.41 46.38 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 115.865 -0.607 . . . . 0.57 111.895 -175.767 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.657 ' HG2' HE21 ' A' ' 143' ' ' GLN . 38.1 mtmt -75.3 -161.17 0.14 Allowed 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 109.082 -0.71 . . . . 2.65 109.082 163.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.47 HD12 ' HB ' ' A' ' 41' ' ' VAL . 3.8 tt -135.26 108.59 7.81 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.139 -0.689 . . . . 1.79 109.139 -176.352 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -83.66 -48.33 10.29 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.459 -0.337 . . . . 2.08 111.195 -178.297 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 1.7 ptm180 -163.75 -174.55 3.72 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.282 0.563 . . . . 3.92 111.633 -177.324 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.51 ' HB3' ' HE ' ' A' ' 138' ' ' ARG . 2.8 p30 -156.28 172.33 18.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.431 -0.804 . . . . 1.19 109.594 176.686 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -143.49 114.28 7.66 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.645 -0.252 . . . . 2.66 110.781 -178.205 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 48.9 t30 74.18 22.6 2.26 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-O 121.644 0.735 . . . . 0.97 111.118 175.51 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 68.5 t80 -73.74 -37.24 65.14 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.475 -0.784 . . . . 0.64 110.919 -174.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -59.47 -48.0 83.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.422 -0.354 . . . . 2.04 111.069 177.509 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.406 ' HA ' ' HD3' ' A' ' 24' ' ' LYS . 40.3 mm-40 -56.51 -40.03 74.3 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 116.225 -0.443 . . . . 1.79 111.006 176.528 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.422 ' CE1' ' HE3' ' A' ' 129' ' ' MET . 89.1 t80 -57.6 -38.24 74.56 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.163 -0.471 . . . . 1.12 110.976 176.473 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 95.4 mt -66.35 -38.97 88.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.947 0.403 . . . . 1.13 110.705 -179.26 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.406 ' HD3' ' HA ' ' A' ' 21' ' ' GLU . 55.8 mtpt -62.41 -44.96 95.2 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.682 -0.69 . . . . 2.43 109.765 177.164 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.74 -41.12 90.23 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.248 -0.887 . . . . 1.2 110.899 176.422 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 13.5 mmm180 -66.18 -15.12 62.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.941 -0.572 . . . . 1.71 111.738 -178.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 94.85 18.29 35.18 Favored Glycine 0 N--CA 1.447 -0.598 0 C-N-CA 120.568 -0.825 . . . . 0.62 112.372 179.174 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.652 ' HH ' H151 ' A' 1001 ' ' OLA . 40.3 m-85 -86.91 127.47 35.06 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.853 0.359 . . . . 0.99 110.415 178.215 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.493 ' O ' ' HG3' ' A' ' 33' ' ' ARG . . . -71.88 172.9 45.68 Favored Glycine 0 N--CA 1.445 -0.758 0 CA-C-N 115.713 -0.676 . . . . 1.54 112.414 179.331 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.576 ' O ' ' HG2' ' A' ' 34' ' ' GLN . 86.3 t90 -51.0 -50.07 59.22 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 122.765 0.426 . . . . 1.31 111.757 -176.727 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 1.1 mm -55.6 -53.1 40.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 N-CA-C 112.137 0.421 . . . . 2.68 112.137 -179.082 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.535 ' O ' HG13 ' A' ' 36' ' ' ILE . 45.6 mmm -56.92 -41.46 78.21 Favored 'General case' 0 CA--C 1.51 -0.578 0 CA-C-N 116.446 -0.343 . . . . 1.16 111.134 179.013 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.564 ' O ' ' HG3' ' A' ' 37' ' ' LYS . 75.7 mtm-85 -64.23 -31.03 72.07 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 120.922 -0.311 . . . . 2.48 110.513 179.632 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.576 ' HG2' ' O ' ' A' ' 30' ' ' TRP . 27.4 mm-40 -67.15 -24.61 65.91 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.246 0.546 . . . . 2.4 109.999 178.838 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 72.1 t -86.12 -65.72 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 115.594 -0.73 . . . . 1.33 110.536 174.647 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.61 ' HA ' ' H9 ' ' A' 1001 ' ' OLA . 57.3 mt -47.05 -55.0 2.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 N-CA-C 114.673 1.36 . . . . 1.25 114.673 -173.294 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.564 ' HG3' ' O ' ' A' ' 33' ' ' ARG . 0.0 OUTLIER -88.86 18.02 5.16 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 119.628 -0.829 . . . . 1.62 112.124 -174.181 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.597 ' C ' HD12 ' A' ' 38' ' ' LEU . 2.3 tm? -119.68 -41.09 2.71 Favored 'General case' 0 N--CA 1.442 -0.835 0 N-CA-C 109.345 -0.613 . . . . 2.6 109.345 178.343 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -54.34 141.18 31.07 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 115.923 -0.58 . . . . 1.15 112.236 -179.343 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -78.18 141.23 24.79 Favored Glycine 0 N--CA 1.449 -0.472 0 CA-C-N 115.728 -0.669 . . . . 0.84 111.87 176.772 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.47 ' HB ' HD12 ' A' ' 13' ' ' LEU . 37.7 t -126.66 128.91 71.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 120.906 0.384 . . . . 1.88 110.757 -176.277 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.409 ' HB ' ' HB2' ' A' ' 61' ' ' LEU . 19.3 m -114.91 113.66 24.46 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.749 -0.66 . . . . 1.13 109.659 175.838 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.545 ' HZ2' ' C1 ' ' A' 1001 ' ' OLA . 17.2 ttmt -107.49 137.36 45.66 Favored 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 121.068 -0.253 . . . . 1.45 110.571 -174.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.552 ' HG2' ' OG1' ' A' ' 10' ' ' THR . 27.0 mtpp -134.0 143.14 47.95 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 116.571 -0.286 . . . . 2.46 111.629 -173.839 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.508 ' CE2' ' HG3' ' A' ' 58' ' ' MET . 44.6 m-85 -130.85 129.11 41.91 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.844 -0.616 . . . . 0.63 109.539 171.676 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.419 ' HG3' ' HB3' ' A' ' 57' ' ' ASP . 2.5 ptp180 -152.59 176.07 12.1 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 120.786 0.327 . . . . 3.72 110.694 178.788 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 15.1 m120 -57.89 162.56 3.18 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.744 -0.662 . . . . 1.9 109.543 170.661 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.459 ' HB1' ' OD1' ' A' ' 71' ' ' ASP . . . -60.04 161.76 6.42 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.947 0.404 . . . . 1.18 111.842 -176.281 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -45.89 -63.12 1.05 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.142 -0.935 . . . . 1.94 112.716 -177.504 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 32.0 t -69.96 -33.5 72.19 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.235 0.54 . . . . 2.82 109.58 179.763 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 114.13 32.23 2.06 Favored Glycine 0 N--CA 1.45 -0.385 0 CA-C-N 115.602 -0.726 . . . . 1.96 113.305 171.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 5.3 mptp? -78.95 136.05 58.42 Favored Pre-proline 0 C--N 1.324 -0.526 0 CA-C-N 116.755 0.278 . . . . 3.54 110.35 177.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 33.2 Cg_endo -65.92 157.01 61.44 Favored 'Trans proline' 0 CA--C 1.528 0.208 0 C-N-CA 122.896 2.397 . . . . 2.1 111.994 177.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 59.39 13.66 3.31 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-O 121.734 0.778 . . . . 2.44 110.586 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 95.4 mtt180 -135.86 130.53 34.04 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 114.326 -1.306 . . . . 4.72 107.728 172.643 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.561 ' CE1' ' HB2' ' A' ' 3' ' ' LEU . 84.2 m-85 -129.07 170.61 13.29 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-O 121.349 0.595 . . . . 1.39 112.313 -173.695 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.419 ' HB3' ' HG3' ' A' ' 46' ' ' ARG . 8.6 t70 -126.65 141.76 51.75 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 114.912 -1.04 . . . . 1.1 109.084 -179.425 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.531 ' HG2' ' O ' ' A' ' 44' ' ' LYS . 2.0 tmt? -151.11 149.86 30.0 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 109.151 -0.685 . . . . 1.22 109.151 -177.595 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -152.73 156.0 38.31 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.166 0.508 . . . . 1.77 111.89 -177.362 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -122.75 85.51 2.43 Favored 'General case' 0 CA--C 1.519 -0.216 0 N-CA-C 108.053 -1.092 . . . . 1.55 108.053 -178.705 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.442 HD22 ' HB3' ' A' ' 66' ' ' ASP . 87.6 mt -77.81 132.0 37.84 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 120.584 0.231 . . . . 2.22 110.601 -177.489 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 17.4 p -135.22 -153.93 0.55 Allowed 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.882 -0.414 . . . . 1.16 109.882 -177.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 62.0 p -106.16 -28.05 10.7 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.169 0.509 . . . . 1.14 110.676 178.132 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 43.6 mmtm -102.07 -31.74 10.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.73 -0.668 . . . . 2.64 112.293 -170.435 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.519 ' O ' HD13 ' A' ' 83' ' ' LEU . 55.1 tptt -165.29 133.11 3.08 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 109.448 -0.575 . . . . 2.34 109.448 -175.543 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.442 ' HB3' HD22 ' A' ' 61' ' ' LEU . 10.7 m-20 -113.98 125.23 53.79 Favored 'General case' 0 C--N 1.318 -0.762 0 C-N-CA 120.52 -0.472 . . . . 2.12 110.877 -177.601 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.466 HG22 HD12 ' A' ' 83' ' ' LEU . 3.3 p -87.86 149.57 24.04 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 109.386 -0.598 . . . . 1.17 109.386 175.864 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.473 ' CD2' ' HB3' ' A' ' 70' ' ' LYS . 4.4 t-160 -137.16 88.64 2.37 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-O 121.263 0.554 . . . . 2.5 109.625 175.544 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.485 ' HD2' ' SD ' ' A' ' 58' ' ' MET . 7.2 m-70 -77.73 83.51 4.09 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 108.4 -0.963 . . . . 0.48 108.4 176.698 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.473 ' HB3' ' CD2' ' A' ' 68' ' ' HIS . 1.5 ptmm? -98.11 134.52 41.07 Favored 'General case' 0 C--N 1.314 -0.943 0 CA-C-N 116.04 -0.527 . . . . 2.79 112.252 -175.206 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.459 ' OD1' ' HB1' ' A' ' 48' ' ' ALA . 20.1 m-20 62.68 62.66 1.07 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 114.848 -1.069 . . . . 2.07 111.432 175.159 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 66.3 p-90 -119.45 159.87 23.44 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.169 0.509 . . . . 0.51 110.59 177.009 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.518 ' O ' ' HB3' ' A' ' 76' ' ' GLU . . . -127.76 154.07 45.8 Favored 'General case' 0 C--N 1.313 -0.995 0 N-CA-C 109.151 -0.685 . . . . 1.22 109.151 171.35 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.595 HD11 ' H ' ' A' ' 74' ' ' LEU . 0.0 OUTLIER -63.55 143.85 57.48 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.561 0.696 . . . . 2.28 110.396 174.345 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 81.08 2.05 90.27 Favored Glycine 0 C--N 1.317 -0.506 0 CA-C-N 115.426 -0.806 . . . . 0.66 111.687 -171.605 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.518 ' HB3' ' O ' ' A' ' 73' ' ' ALA . 42.1 tt0 -113.61 158.42 20.84 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.737 0.303 . . . . 2.37 110.215 -177.173 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -140.76 145.38 36.31 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 108.907 -0.775 . . . . 1.4 108.907 -176.45 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.471 ' CZ ' ' HB3' ' A' ' 69' ' ' HIS . 19.6 p90 -144.55 163.6 33.4 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 116.641 -0.254 . . . . 0.69 111.372 -174.592 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -82.02 143.95 31.21 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 108.536 -0.913 . . . . 2.38 108.536 171.625 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -146.41 159.78 42.94 Favored 'General case' 0 C--O 1.248 0.985 0 N-CA-C 112.544 0.572 . . . . 1.26 112.544 -173.02 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.456 ' CD ' HE22 ' A' ' 87' ' ' GLN . 41.2 mm-40 -90.52 75.61 6.7 Favored 'General case' 0 C--N 1.343 0.314 0 CA-C-N 114.68 -1.145 . . . . 2.26 109.317 179.402 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.07 148.54 35.39 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-N 115.613 -0.721 . . . . 1.61 112.877 -169.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.558 HD22 ' H ' ' A' ' 83' ' ' LEU . 1.5 mm? -52.51 -29.12 23.52 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 115.304 -0.862 . . . . 1.98 110.244 177.263 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.505 ' CA ' H141 ' A' 1001 ' ' OLA . 31.1 t70 -72.49 5.78 2.79 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 114.497 -1.229 . . . . 1.55 111.705 -175.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 40.3 m 68.52 22.06 7.86 Favored 'General case' 0 N--CA 1.464 0.243 0 C-N-CA 123.038 0.535 . . . . 1.68 110.474 179.308 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 3.0 p -119.7 162.13 19.54 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.761 -0.654 . . . . 1.5 111.274 -178.497 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.537 ' HA ' HE21 ' A' ' 87' ' ' GLN . 0.1 OUTLIER -109.6 109.63 20.45 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 108.938 -0.764 . . . . 1.88 108.938 -179.616 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . 0.52 ' CB ' ' HA ' ' A' ' 106' ' ' LYS . 25.7 p80 -154.49 176.97 11.71 Favored 'General case' 0 C--N 1.318 -0.784 0 C-N-CA 119.007 -1.077 . . . . 1.51 112.599 -177.704 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 26.6 ttpp -81.54 148.17 29.28 Favored 'General case' 0 N--CA 1.444 -0.757 0 CA-C-N 114.772 -1.104 . . . . 1.95 110.639 -174.415 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 56.0 mt -142.0 129.44 20.53 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.835 0 CA-C-N 115.018 -0.992 . . . . 1.19 109.542 177.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 20.9 m -114.49 140.32 48.83 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 116.125 -0.488 . . . . 1.12 110.788 -177.469 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.477 ' CD2' HD21 ' A' ' 100' ' ' LEU . 10.2 m-85 -114.61 131.06 56.83 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 108.802 -0.814 . . . . 0.81 108.802 173.8 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -148.48 136.96 21.36 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 120.898 0.38 . . . . 1.69 110.854 -178.388 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -89.21 108.66 19.74 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 108.905 -0.776 . . . . 1.81 108.905 175.67 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 48.9 tptt -86.0 -54.07 4.71 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.158 -0.682 . . . . 3.48 109.158 -173.534 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.428 ' C ' ' H ' ' A' ' 98' ' ' ASN . 13.2 m-20 -121.68 163.86 28.39 Favored Pre-proline 0 C--N 1.319 -0.737 0 N-CA-C 107.995 -1.113 . . . . 1.79 107.995 174.778 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_exo -67.42 5.33 0.96 Allowed 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 122.981 2.454 . . . . 1.07 112.374 -177.095 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . 0.428 ' H ' ' C ' ' A' ' 96' ' ' ASP . 9.4 p30 -144.86 19.86 1.63 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.498 -0.774 . . . . 2.63 110.07 179.046 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 24.7 m -145.85 109.82 4.89 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-O 120.995 0.426 . . . . 1.26 111.673 -178.592 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.491 HD22 ' N ' ' A' ' 101' ' ' THR . 7.1 tt -98.54 140.89 32.1 Favored 'General case' 0 C--O 1.217 -0.61 0 N-CA-C 108.449 -0.945 . . . . 1.78 108.449 175.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' THR . . . . . 0.491 ' N ' HD22 ' A' ' 100' ' ' LEU . 12.0 p -118.79 132.91 56.14 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 118.777 0.717 . . . . 1.11 111.397 179.342 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 58.6 tt0 -113.66 105.77 13.72 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.681 -0.69 . . . . 1.31 109.48 177.082 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 12.8 m -102.63 114.41 28.61 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.035 0.445 . . . . 1.12 111.281 -175.089 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . 0.501 ' HB2' ' HB3' ' A' ' 114' ' ' GLU . 11.9 m170 -95.63 119.33 33.94 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.423 -0.584 . . . . 2.22 109.423 177.721 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.512 ' O ' ' HB2' ' A' ' 88' ' ' HIS . 42.2 mt -120.39 119.2 59.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-O 121.201 0.524 . . . . 1.36 111.046 174.424 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.55 ' HB3' ' OD2' ' A' ' 108' ' ' ASP . 94.0 mttt -67.2 108.44 2.7 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.202 -0.908 . . . . 2.12 111.23 177.623 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 28.6 m -59.53 -21.53 21.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.001 -1.0 . . . . 2.03 112.661 -178.408 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . 0.55 ' OD2' ' HB3' ' A' ' 106' ' ' LYS . 17.6 p-10 -80.43 -40.59 26.08 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.829 0.347 . . . . 2.5 110.45 -179.533 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -150.21 95.05 3.64 Favored Pre-proline 0 C--N 1.325 -0.489 0 N-CA-C 109.289 -0.634 . . . . 2.39 109.289 177.637 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_endo -72.55 11.21 0.84 Allowed 'Trans proline' 0 C--O 1.233 0.261 0 C-N-CA 123.412 2.742 . . . . 0.91 112.439 -176.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 34.5 p -75.03 -24.82 58.37 Favored 'General case' 0 N--CA 1.447 -0.6 0 N-CA-C 109.003 -0.739 . . . . 1.91 109.003 173.063 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -112.63 119.2 37.29 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 115.038 -0.983 . . . . 1.59 109.512 174.627 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.439 ' CG1' HG12 ' A' ' 105' ' ' ILE . 32.9 m -131.13 -166.78 0.49 Allowed 'Isoleucine or valine' 0 N--CA 1.433 -1.306 0 N-CA-C 108.269 -1.011 . . . . 2.17 108.269 178.268 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.501 ' HB3' ' HB2' ' A' ' 104' ' ' HIS . 43.6 tt0 -173.67 123.07 0.35 Allowed 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 118.149 0.431 . . . . 2.78 110.259 -172.359 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 4.2 m -127.67 132.82 49.64 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.207 0.527 . . . . 1.18 112.298 -173.384 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 8.3 m-85 -106.08 165.87 10.91 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 107.427 -1.323 . . . . 1.49 107.427 168.448 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . 0.51 ' HG2' ' O ' ' A' ' 128' ' ' LYS . 12.8 pt-20 -146.53 124.9 12.3 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 107.865 -1.161 . . . . 1.53 107.865 167.431 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . 0.481 ' HB2' ' HB3' ' A' ' 100' ' ' LEU . 15.5 m-85 -93.91 112.56 24.43 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.304 -0.862 . . . . 1.0 111.148 -170.837 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 59.3 mtt180 -120.95 142.34 49.84 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 108.639 -0.875 . . . . 3.96 108.639 174.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.99 146.69 25.25 Favored 'General case' 0 C--N 1.32 -0.695 0 C-N-CA 120.347 -0.541 . . . . 2.25 111.046 -177.435 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -136.97 68.09 1.43 Allowed 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.432 -0.804 . . . . 1.08 108.925 173.364 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 77.0 -110.49 3.03 Favored Glycine 0 N--CA 1.447 -0.594 0 CA-C-N 115.412 -0.813 . . . . 1.04 112.261 -178.667 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -93.12 8.76 38.8 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.158 0.504 . . . . 2.31 110.319 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . 0.561 ' CE2' ' HE3' ' A' ' 141' ' ' LYS . 97.8 m-85 -116.24 126.65 53.89 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.518 -0.765 . . . . 1.17 110.946 -179.428 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -88.97 120.88 30.78 Favored 'General case' 0 C--N 1.316 -0.857 0 N-CA-C 106.699 -1.593 . . . . 1.66 106.699 166.429 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 13.8 t -102.02 106.21 19.36 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.211 0 CA-C-O 121.454 0.645 . . . . 1.1 109.405 -173.089 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' MET . . . . . 0.448 ' HE3' ' NZ ' ' A' ' 43' ' ' LYS . 6.6 ttm -81.1 120.36 24.74 Favored 'General case' 0 C--N 1.313 -0.983 0 CA-C-N 114.698 -1.137 . . . . 1.4 109.791 178.657 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . 0.51 ' O ' ' HG2' ' A' ' 117' ' ' GLU . 23.3 tptm -116.46 116.35 27.5 Favored 'General case' 0 C--N 1.314 -0.971 0 N-CA-C 108.831 -0.803 . . . . 2.68 108.831 179.568 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' MET . . . . . 0.422 ' HE3' ' CE1' ' A' ' 22' ' ' TYR . 4.6 ptm -135.85 146.83 47.88 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-N 115.622 -0.717 . . . . 1.66 109.341 -176.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 10.4 p -147.46 137.67 23.12 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.067 0.46 . . . . 1.5 111.818 -174.483 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' TRP . . . . . 0.468 ' CD1' ' HG3' ' A' ' 132' ' ' LYS . 43.0 t-105 -145.27 131.06 19.04 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.486 -0.779 . . . . 0.88 109.778 176.312 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . 0.468 ' HG3' ' CD1' ' A' ' 131' ' ' TRP . 68.2 mttm 52.31 41.75 30.63 Favored 'General case' 0 C--N 1.329 -0.326 0 O-C-N 123.624 0.578 . . . . 2.42 111.138 -177.514 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 80.78 -23.12 4.45 Favored Glycine 0 CA--C 1.521 0.448 0 C-N-CA 120.963 -0.637 . . . . 0.53 112.982 179.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 13.4 t -69.69 102.96 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 N-CA-C 109.696 -0.483 . . . . 1.13 109.696 -179.159 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 1.9 m -99.8 139.47 35.43 Favored 'General case' 0 N--CA 1.433 -1.31 0 CA-C-N 115.85 -0.614 . . . . 1.64 110.517 -178.811 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' THR . . . . . 0.4 HG22 ' CG ' ' A' ' 129' ' ' MET . 3.3 t -138.07 140.22 39.92 Favored 'General case' 0 C--N 1.309 -1.168 0 CA-C-N 115.4 -0.818 . . . . 1.1 110.747 -179.325 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 17.0 m -116.61 109.24 16.96 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.59 -0.732 . . . . 1.06 109.649 176.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . 0.51 ' HE ' ' HB3' ' A' ' 16' ' ' ASP . 20.7 ttm180 -99.51 125.64 45.31 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.153 -0.476 . . . . 2.41 110.1 178.79 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 94.9 m-85 -97.29 110.5 23.04 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.238 0.542 . . . . 1.03 111.085 -173.375 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 52.3 m-85 -94.01 119.36 32.78 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.345 -0.843 . . . . 0.92 109.688 178.228 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . 0.561 ' HE3' ' CE2' ' A' ' 124' ' ' TYR . 1.5 tppp? -102.55 127.23 49.71 Favored 'General case' 0 C--O 1.207 -1.137 0 N-CA-C 108.193 -1.039 . . . . 2.41 108.193 -175.415 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . 0.6 ' HA ' ' HA ' ' A' ' 11' ' ' PHE . 84.2 tttt -38.63 158.54 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 124.645 1.178 . . . . 2.59 113.906 -172.788 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . 0.657 HE21 ' HG2' ' A' ' 12' ' ' LYS . 2.8 mt-30 . . . . . 0 C--O 1.247 0.946 0 O-C-N 120.9 -1.125 . . . . 1.74 110.598 164.145 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1001 ' ' OLA . . . . . 0.652 H151 ' HH ' ' A' ' 28' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' -11' ' ' MET . . . . . . . . . . . . . 49.3 tpp . . . . . 0 N--CA 1.481 1.077 0 CA-C-O 120.731 0.301 . . . . 14.72 110.268 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' -10' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 55.22 68.21 0.9 Allowed 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 121.34 0.591 . . . . 16.38 110.579 -177.499 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' -9' ' ' GLY . . . . . . . . . . . . . . . 162.05 128.14 0.93 Allowed Glycine 0 N--CA 1.446 -0.689 0 CA-C-N 115.627 -0.715 . . . . 12.05 111.908 -179.224 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' -8' ' ' SER . . . . . . . . . . . . . 19.5 t -91.35 -38.71 12.45 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.127 0.489 . . . . 11.72 109.964 179.152 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' -7' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -75.36 133.8 41.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.945 -0.57 . . . . 12.39 110.797 178.683 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' -6' ' ' HIS . . . . . . . . . . . . . 47.6 t-80 -130.9 66.54 1.53 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.147 0.498 . . . . 11.6 110.011 179.501 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' -5' ' ' HIS . . . . . . . . . . . . . 12.0 p80 -162.59 53.34 0.2 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.381 0.61 . . . . 9.98 110.845 -179.227 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' -4' ' ' HIS . . . . . . . . . . . . . 8.8 p80 -75.44 -8.77 57.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.036 -0.529 . . . . 11.3 111.336 -178.312 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' -3' ' ' HIS . . . . . . . . . . . . . 14.5 t-80 -163.12 -39.95 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.661 -0.496 . . . . 9.34 109.661 171.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 9.9 m170 -79.97 62.79 4.29 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.973 -0.558 . . . . 7.77 110.067 175.329 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 149.68 93.44 0.11 Allowed Glycine 0 N--CA 1.445 -0.721 0 N-CA-C 111.321 -0.712 . . . . 3.92 111.321 -177.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 0' ' ' SER . . . . . 0.579 ' HB2' ' HB3' ' A' ' 74' ' ' LEU . 7.8 m -87.95 -168.33 2.18 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 121.313 0.577 . . . . 3.42 111.562 -175.759 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -76.49 -170.61 1.56 Allowed 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.378 -0.828 . . . . 3.45 109.938 175.343 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 38.7 m -86.72 142.16 28.38 Favored 'General case' 0 C--N 1.313 -0.994 0 N-CA-C 108.186 -1.042 . . . . 1.44 108.186 168.303 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.416 ' HB2' ' CE1' ' A' ' 56' ' ' TYR . 0.2 OUTLIER -59.43 116.48 16.52 Favored Pre-proline 0 C--N 1.327 -0.377 0 O-C-N 123.335 0.397 . . . . 1.33 110.78 -175.382 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -54.29 126.26 21.58 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.793 2.329 . . . . 0.81 111.01 175.511 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -56.68 -22.53 35.42 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.879 -0.601 . . . . 2.19 112.529 -174.198 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 14.9 mmmm -63.8 -21.55 66.48 Favored 'General case' 0 N--CA 1.463 0.185 0 N-CA-C 111.854 0.316 . . . . 3.1 111.854 177.01 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -92.19 0.43 57.46 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 121.171 -0.212 . . . . 0.74 110.901 -178.427 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.439 HD21 ' HB3' ' A' ' 45' ' ' PHE . 96.2 mt -96.25 152.28 18.72 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.308 0.575 . . . . 1.12 111.745 -174.534 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 125.18 168.11 12.69 Favored Glycine 0 N--CA 1.444 -0.79 0 CA-C-N 115.222 -0.899 . . . . 0.52 112.027 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.43 HG21 ' HG2' ' A' ' 44' ' ' LYS . 93.2 m -96.62 120.41 36.89 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.572 -0.529 . . . . 1.62 109.572 175.261 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.452 ' HA ' ' HA ' ' A' ' 142' ' ' LYS . 51.0 m-85 -112.81 129.89 56.28 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.226 -0.443 . . . . 0.57 111.193 -174.347 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.711 ' HB3' ' NE2' ' A' ' 143' ' ' GLN . 21.9 ptmt -95.07 130.95 41.56 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 120.181 -0.608 . . . . 2.65 111.021 170.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.435 HD21 ' N ' ' A' ' 14' ' ' GLU . 4.9 tt -62.45 129.15 39.36 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-N 116.045 -0.525 . . . . 1.79 110.665 177.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.435 ' N ' HD21 ' A' ' 13' ' ' LEU . 32.6 tt0 -102.85 -52.47 3.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.148 -0.478 . . . . 2.08 110.786 176.543 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 24.7 ptt-85 -153.59 175.24 13.44 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.204 -0.453 . . . . 3.92 110.299 -172.626 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -166.02 175.96 8.12 Favored 'General case' 0 C--N 1.329 -0.308 0 O-C-N 122.965 0.166 . . . . 1.19 110.877 -179.388 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -149.05 132.34 16.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.182 -0.463 . . . . 2.66 111.168 -176.376 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 63.3 t30 71.21 23.5 4.06 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-O 121.59 0.71 . . . . 0.97 111.394 171.667 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 52.0 t80 -73.15 -40.21 65.06 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.788 -0.642 . . . . 0.64 111.175 -175.56 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.576 ' OD1' ' HE3' ' A' ' 24' ' ' LYS . 20.6 t70 -59.64 -48.85 80.05 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.849 0.357 . . . . 2.04 110.835 179.73 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 52.0 mm-40 -58.12 -38.09 75.84 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 115.986 -0.552 . . . . 1.79 110.935 178.752 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.496 ' CE1' ' HE1' ' A' ' 129' ' ' MET . 77.4 t80 -59.24 -41.04 87.8 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 120.878 0.371 . . . . 1.12 110.655 174.816 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 85.2 mt -63.97 -40.23 95.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.253 -0.431 . . . . 1.13 110.355 -178.355 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.576 ' HE3' ' OD1' ' A' ' 20' ' ' ASP . 97.0 mttt -62.78 -46.22 89.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.025 -0.534 . . . . 2.43 110.438 178.241 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.03 -40.44 85.03 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.305 -0.861 . . . . 1.2 111.094 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 13.8 mmm180 -73.74 -8.04 54.45 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.916 -0.584 . . . . 1.71 111.773 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 96.68 12.82 49.39 Favored Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 120.475 -0.869 . . . . 0.62 112.782 175.58 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 63.3 m-85 -81.31 125.37 30.27 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.927 0.394 . . . . 0.99 110.605 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -75.23 -178.92 43.1 Favored Glycine 0 N--CA 1.447 -0.581 0 CA-C-N 115.565 -0.743 . . . . 1.54 112.982 -178.619 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.545 ' O ' ' HG2' ' A' ' 34' ' ' GLN . 84.1 t90 -53.59 -49.11 68.46 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 123.14 0.576 . . . . 1.31 111.52 -176.592 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 1.3 mm -56.06 -50.92 67.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 120.822 0.344 . . . . 2.68 111.37 179.037 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.533 ' O ' HG13 ' A' ' 36' ' ' ILE . 0.1 OUTLIER -57.07 -43.5 82.17 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.936 -0.575 . . . . 1.16 110.345 177.66 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 48.4 mtm105 -64.48 -23.19 67.19 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.541 -0.299 . . . . 2.48 111.234 178.654 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.545 ' HG2' ' O ' ' A' ' 30' ' ' TRP . 30.3 mm-40 -78.09 -31.26 50.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.777 0.322 . . . . 2.4 110.631 177.007 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.435 ' CG1' ' HG3' ' A' ' 64' ' ' LYS . 95.8 t -88.6 -65.14 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.674 0 CA-C-O 120.838 0.352 . . . . 1.33 111.158 -178.517 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.615 ' HA ' ' H9 ' ' A' 1001 ' ' OLA . 28.5 mt -47.11 -46.67 8.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 C-N-CA 124.007 0.923 . . . . 1.25 113.191 -177.545 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -75.19 -18.44 60.16 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.978 0.418 . . . . 1.62 111.66 -173.107 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.537 HD21 ' O ' ' A' ' 34' ' ' GLN . 4.0 mm? -104.66 1.77 29.83 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.901 0.382 . . . . 2.6 111.141 -176.596 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -84.09 126.67 33.31 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.156 -0.475 . . . . 1.15 110.844 179.58 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.404 ' O ' ' HA ' ' A' ' 62' ' ' THR . . . -75.57 142.65 29.27 Favored Glycine 0 N--CA 1.448 -0.549 0 N-CA-C 110.965 -0.854 . . . . 0.84 110.965 173.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.487 HG23 ' H31' ' A' 1001 ' ' OLA . 15.4 t -128.79 133.01 67.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-O 121.216 0.532 . . . . 1.88 111.73 -170.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 27.2 m -117.06 114.34 23.6 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.446 -0.797 . . . . 1.13 110.132 174.555 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.502 ' HD2' ' HE1' ' A' ' 58' ' ' MET . 44.1 mmtm -90.28 135.22 33.81 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.566 -0.531 . . . . 1.45 109.566 178.251 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.43 ' HG2' HG21 ' A' ' 10' ' ' THR . 56.6 mtpt -129.29 102.27 6.36 Favored 'General case' 0 C--N 1.322 -0.622 0 C-N-CA 121.13 -0.228 . . . . 2.46 111.344 -177.06 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.439 ' HB3' HD21 ' A' ' 8' ' ' LEU . 59.0 m-85 -100.39 121.74 42.01 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.521 -0.548 . . . . 0.63 109.521 174.712 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.422 ' HG3' ' HB3' ' A' ' 57' ' ' ASP . 14.0 ptm180 -149.98 159.89 44.04 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 116.289 -0.414 . . . . 3.72 110.345 -179.192 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.526 ' HA ' ' CD2' ' A' ' 56' ' ' TYR . 13.0 p30 -68.59 153.46 43.73 Favored 'General case' 0 C--N 1.316 -0.861 0 N-CA-C 108.682 -0.859 . . . . 1.9 108.682 171.596 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -48.99 130.79 18.75 Favored 'General case' 0 CA--C 1.518 -0.274 0 CA-C-O 121.625 0.726 . . . . 1.18 111.501 -173.066 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.63 -34.79 77.76 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 114.412 -1.267 . . . . 1.94 111.792 -170.316 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 17.0 m -76.62 17.54 0.39 Allowed 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 112.262 0.467 . . . . 2.82 112.262 179.269 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 68.68 23.08 75.56 Favored Glycine 0 CA--C 1.517 0.17 0 C-N-CA 120.997 -0.62 . . . . 1.96 112.798 177.711 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.402 ' HB2' ' HE3' ' A' ' 52' ' ' LYS . 38.5 ttmt -86.21 116.53 66.15 Favored Pre-proline 0 N--CA 1.447 -0.613 0 N-CA-C 110.467 -0.197 . . . . 3.54 110.467 -177.277 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_exo -60.96 147.06 96.75 Favored 'Trans proline' 0 C--O 1.237 0.429 0 C-N-CA 123.123 2.549 . . . . 2.1 113.467 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 20.5 t70 80.95 -54.97 0.31 Allowed 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 114.548 -1.205 . . . . 2.44 110.014 174.339 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 9.9 mpt_? -63.64 143.4 57.86 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.259 -0.882 . . . . 4.72 111.632 174.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.526 ' CD2' ' HA ' ' A' ' 47' ' ' ASN . 73.5 m-85 -119.66 176.35 5.42 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.667 -0.697 . . . . 1.39 110.958 179.067 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.422 ' HB3' ' HG3' ' A' ' 46' ' ' ARG . 15.5 t70 -133.31 134.28 43.65 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 108.361 -0.977 . . . . 1.1 108.361 178.401 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.502 ' HE1' ' HD2' ' A' ' 43' ' ' LYS . 12.1 tpt -137.19 129.77 30.05 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.609 0.242 . . . . 1.22 111.382 -172.694 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -124.85 142.68 51.27 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.36 0.6 . . . . 1.77 111.651 178.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.445 ' ND2' ' HE3' ' A' ' 43' ' ' LYS . 0.9 OUTLIER -122.03 72.06 1.02 Allowed 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.305 -0.998 . . . . 1.55 108.305 176.601 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 93.8 mt -74.89 141.66 44.14 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.016 -0.538 . . . . 2.22 111.11 -173.79 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.438 HG22 ' H52' ' A' 1001 ' ' OLA . 43.0 p -139.69 -158.38 0.85 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.351 -0.386 . . . . 1.16 110.28 -178.215 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 65.0 p -96.5 -30.86 13.1 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.163 0.506 . . . . 1.14 111.254 -178.67 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.435 ' HG3' ' CG1' ' A' ' 35' ' ' VAL . 74.4 mmtt -110.01 -21.95 12.06 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.051 -0.522 . . . . 2.64 111.04 -175.187 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.511 ' HG3' ' O ' ' A' ' 83' ' ' LEU . 0.3 OUTLIER -135.77 -155.54 0.64 Allowed 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.094 -0.503 . . . . 2.34 110.795 -173.064 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 165.85 132.95 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.121 -0.945 . . . . 2.12 109.655 -168.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 37.8 p -126.5 143.63 51.13 Favored 'General case' 0 C--N 1.316 -0.888 0 N-CA-C 108.974 -0.751 . . . . 1.17 108.974 171.818 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 23.4 t-160 -136.88 87.71 2.31 Favored 'General case' 0 C--N 1.316 -0.881 0 N-CA-C 109.555 -0.535 . . . . 2.5 109.555 179.044 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.422 ' HD1' ' CG ' ' A' ' 80' ' ' ASP . 22.2 m-70 -75.26 80.16 2.37 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.259 -0.882 . . . . 0.48 109.928 -178.524 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.409 ' HA ' ' OD2' ' A' ' 57' ' ' ASP . 26.1 mtmt -70.87 122.37 19.81 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.829 0.677 . . . . 2.79 112.829 177.601 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 65.09 68.63 0.5 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.016 -0.993 . . . . 2.07 111.777 167.155 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 62.7 p-90 -114.1 140.74 48.24 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 120.845 0.355 . . . . 0.51 110.395 175.588 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -97.93 142.42 29.68 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 109.227 -0.657 . . . . 1.22 109.227 172.501 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.579 ' HB3' ' HB2' ' A' ' 0' ' ' SER . 3.4 mt -59.11 123.44 16.62 Favored 'General case' 0 C--N 1.311 -1.096 0 CA-C-O 121.202 0.525 . . . . 2.28 110.069 169.714 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 91.01 17.23 52.16 Favored Glycine 0 N--CA 1.448 -0.508 0 CA-C-N 115.722 -0.672 . . . . 0.66 112.397 -173.003 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -113.32 154.75 26.35 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.163 0.506 . . . . 2.37 110.749 -178.644 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -127.6 106.16 8.97 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 108.045 -1.094 . . . . 1.4 108.045 -178.774 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 53.0 p90 -123.13 156.11 35.65 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 120.727 0.298 . . . . 0.69 111.522 -168.335 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 10.4 tt0 -79.39 141.88 36.49 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.471 -0.566 . . . . 2.38 109.471 175.613 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.422 ' CG ' ' HD1' ' A' ' 69' ' ' HIS . 23.5 t70 -151.96 158.6 43.35 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.545 -0.298 . . . . 1.26 111.533 -169.881 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -93.28 92.49 7.73 Favored 'General case' 0 CA--C 1.519 -0.229 0 N-CA-C 108.146 -1.057 . . . . 2.26 108.146 173.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -75.66 160.46 30.05 Favored 'General case' 0 C--N 1.312 -1.063 0 N-CA-C 113.671 0.989 . . . . 1.61 113.671 -166.528 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.511 ' O ' ' HG3' ' A' ' 65' ' ' LYS . 14.5 tp -60.74 -29.31 69.31 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 113.567 -1.651 . . . . 1.98 111.075 -177.378 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.549 ' HA ' H142 ' A' 1001 ' ' OLA . 7.0 p-10 -81.69 20.54 0.92 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.935 -0.575 . . . . 1.55 111.79 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 42.8 m 64.2 30.76 13.53 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 115.652 -0.704 . . . . 1.68 112.477 170.149 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 36.9 p -130.67 172.2 12.23 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 121.069 0.461 . . . . 1.5 110.163 176.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 12.5 mm100 -108.88 119.27 39.04 Favored 'General case' 0 C--N 1.317 -0.839 0 N-CA-C 108.226 -1.027 . . . . 1.88 108.226 176.378 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . 0.632 ' CB ' ' HA ' ' A' ' 106' ' ' LYS . 25.8 p80 -161.83 179.47 8.05 Favored 'General case' 0 C--N 1.32 -0.714 0 C-N-CA 120.345 -0.542 . . . . 1.51 111.713 178.684 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 61.8 pttt -88.96 154.92 19.84 Favored 'General case' 0 N--CA 1.442 -0.856 0 CA-C-N 115.663 -0.699 . . . . 1.95 110.499 -175.231 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 51.9 mt -142.37 129.25 19.11 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.007 0 CA-C-N 114.85 -1.068 . . . . 1.19 110.005 -177.821 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 1.3 m -105.15 133.17 50.37 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 115.975 -0.557 . . . . 1.12 110.832 -179.752 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -107.87 129.46 55.08 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 108.615 -0.883 . . . . 0.81 108.615 172.177 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -147.34 136.71 22.61 Favored 'General case' 0 C--N 1.315 -0.913 0 C-N-CA 121.11 -0.236 . . . . 1.69 110.395 -174.457 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.409 HD22 HD22 ' A' ' 74' ' ' LEU . 0.2 OUTLIER -90.46 109.62 20.75 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 108.693 -0.855 . . . . 1.81 108.693 175.66 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 33.8 tttm -79.86 -43.86 21.54 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.649 0.738 . . . . 3.48 109.522 -172.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -155.5 159.38 31.71 Favored Pre-proline 0 C--N 1.315 -0.913 0 N-CA-C 107.383 -1.34 . . . . 1.79 107.383 175.403 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 34.3 Cg_exo -60.81 4.06 0.24 Allowed 'Trans proline' 0 N--CA 1.476 0.478 0 C-N-CA 123.316 2.678 . . . . 1.07 114.668 -172.123 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -124.99 -4.71 7.48 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.519 0.199 . . . . 2.63 110.901 177.595 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 70.3 m -141.59 117.41 10.45 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-O 121.511 0.672 . . . . 1.26 112.792 -176.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.605 HD21 ' N ' ' A' ' 101' ' ' THR . 7.4 tt -90.99 146.13 24.12 Favored 'General case' 0 C--O 1.222 -0.351 0 N-CA-C 108.189 -1.041 . . . . 1.78 108.189 172.47 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' THR . . . . . 0.605 ' N ' HD21 ' A' ' 100' ' ' LEU . 15.6 p -122.23 131.76 54.09 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 118.311 0.505 . . . . 1.11 111.316 178.251 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 56.2 tt0 -113.51 109.81 19.26 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.155 -0.683 . . . . 1.31 109.155 176.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 11.9 m -101.36 114.91 29.33 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.228 -0.442 . . . . 1.12 110.851 -175.019 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . 0.479 ' HE1' ' CE2' ' A' ' 116' ' ' TYR . 19.3 m170 -93.3 115.31 27.89 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.844 -0.428 . . . . 2.22 109.844 179.231 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.504 ' O ' ' HB2' ' A' ' 88' ' ' HIS . 24.4 mt -122.13 117.9 53.76 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.321 0 CA-C-O 121.447 0.642 . . . . 1.36 111.338 179.161 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.632 ' HA ' ' CB ' ' A' ' 88' ' ' HIS . 98.2 mttt -66.41 118.35 9.93 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 115.34 -0.845 . . . . 2.12 111.58 178.172 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.478 ' H ' ' CB ' ' A' ' 88' ' ' HIS . 15.5 m -58.15 -22.88 20.35 Favored 'Isoleucine or valine' 0 C--O 1.233 0.205 0 CA-C-N 115.285 -0.87 . . . . 2.03 111.268 176.796 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -87.59 -50.16 6.7 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.847 -0.615 . . . . 2.5 110.531 177.473 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . 0.575 ' O ' ' HB2' ' A' ' 106' ' ' LYS . 13.5 t70 -130.13 89.29 45.64 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.367 0.604 . . . . 2.39 110.111 -178.141 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -74.88 6.02 3.58 Favored 'Trans proline' 0 N--CA 1.462 -0.373 0 C-N-CA 123.221 2.614 . . . . 0.91 113.212 -177.63 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 18.1 p -94.12 -22.5 18.43 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.961 0.41 . . . . 1.91 110.859 176.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -93.53 53.54 1.89 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.512 0.672 . . . . 1.59 109.527 175.649 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.421 HG13 HG12 ' A' ' 105' ' ' ILE . 9.9 m -67.42 178.87 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.13 -0.941 . . . . 2.17 112.205 177.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -163.14 137.29 6.1 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.541 -0.754 . . . . 2.78 109.48 178.733 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 92.4 m -129.13 121.22 27.3 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.38 0.609 . . . . 1.18 111.935 -177.189 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' TYR . . . . . 0.588 ' CE1' ' HE3' ' A' ' 129' ' ' MET . 11.1 m-30 -103.65 153.03 21.09 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 107.249 -1.389 . . . . 1.49 107.249 170.475 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . 0.48 ' HG2' HG22 ' A' ' 101' ' ' THR . 24.4 mt-10 -131.92 131.99 43.17 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 108.075 -1.083 . . . . 1.53 108.075 178.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . 0.457 ' HB2' ' HB3' ' A' ' 100' ' ' LEU . 80.9 m-85 -105.8 100.22 9.79 Favored 'General case' 0 C--N 1.314 -0.964 0 N-CA-C 109.935 -0.394 . . . . 1.0 109.935 -179.865 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . 0.418 ' NH1' ' HB2' ' A' ' 121' ' ' ASP . 0.0 OUTLIER -111.47 154.16 25.11 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 120.611 -0.435 . . . . 3.96 110.418 179.654 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 27.5 tpt180 -107.51 124.39 49.83 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.594 -0.276 . . . . 2.25 110.38 -175.673 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . 0.418 ' HB2' ' NH1' ' A' ' 119' ' ' ARG . 27.4 t70 -131.45 113.12 13.32 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 110.036 -0.357 . . . . 1.08 110.036 178.415 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 65.78 -113.35 5.69 Favored Glycine 0 N--CA 1.446 -0.658 0 N-CA-C 111.399 -0.681 . . . . 1.04 111.399 -177.299 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -116.06 11.62 15.38 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.88 0.371 . . . . 2.31 110.456 177.703 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 91.2 m-85 -111.72 141.96 44.66 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.27 0.557 . . . . 1.17 111.144 -179.36 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.414 HD22 ' HB3' ' A' ' 118' ' ' TYR . 3.1 tm? -82.67 115.69 21.72 Favored 'General case' 0 N--CA 1.445 -0.719 0 N-CA-C 106.749 -1.574 . . . . 1.66 106.749 168.749 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 60.3 t -103.09 107.75 22.8 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.96 0 CA-C-O 121.454 0.645 . . . . 1.1 109.723 -173.59 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' MET . . . . . 0.526 ' HE3' ' O2 ' ' A' 1001 ' ' OLA . 9.2 tpt -70.04 121.14 16.86 Favored 'General case' 0 N--CA 1.44 -0.926 0 CA-C-N 114.601 -1.181 . . . . 1.4 109.418 179.654 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . 0.425 ' HB3' ' HB2' ' A' ' 117' ' ' GLU . 25.9 tptp -118.35 88.7 2.97 Favored 'General case' 0 C--N 1.313 -0.984 0 CA-C-O 121.761 0.791 . . . . 2.68 109.149 -175.204 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' MET . . . . . 0.588 ' HE3' ' CE1' ' A' ' 116' ' ' TYR . 42.5 mtp -103.91 135.66 45.01 Favored 'General case' 0 C--N 1.318 -0.801 0 N-CA-C 108.85 -0.796 . . . . 1.66 108.85 -178.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' SER . . . . . 0.524 ' HA ' ' O ' ' A' ' 134' ' ' VAL . 8.3 m -145.94 136.61 24.24 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.392 0.615 . . . . 1.5 111.531 -178.273 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' TRP . . . . . 0.506 ' CD1' ' HD3' ' A' ' 132' ' ' LYS . 61.2 t-105 -151.53 130.64 12.67 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 114.687 -1.142 . . . . 0.88 109.49 178.45 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . 0.506 ' HD3' ' CD1' ' A' ' 131' ' ' TRP . 6.1 mptp? 49.53 44.46 24.18 Favored 'General case' 0 C--N 1.332 -0.189 0 O-C-N 123.637 0.586 . . . . 2.42 111.753 -175.907 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 82.97 -18.12 18.23 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.932 -0.651 . . . . 0.53 113.512 177.34 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . 0.524 ' O ' ' HA ' ' A' ' 130' ' ' SER . 15.8 t -79.27 107.26 11.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.973 0.387 . . . . 1.13 110.466 -178.199 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -104.28 127.59 51.94 Favored 'General case' 0 N--CA 1.444 -0.734 0 CA-C-O 121.383 0.611 . . . . 1.64 111.487 178.088 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' THR . . . . . 0.443 ' CG2' ' HB2' ' A' ' 129' ' ' MET . 3.6 t -115.6 129.32 56.47 Favored 'General case' 0 C--N 1.314 -0.969 0 CA-C-N 115.261 -0.881 . . . . 1.1 109.909 177.771 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' SER . . . . . 0.433 ' HA ' ' O ' ' A' ' 127' ' ' MET . 22.6 m -107.99 113.05 25.95 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.981 -0.554 . . . . 1.06 109.785 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . 0.501 ' HD3' ' O1 ' ' A' 1001 ' ' OLA . 25.0 mtp180 -108.47 123.5 48.98 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 109.69 -0.485 . . . . 2.41 109.69 -178.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 75.9 m-85 -90.2 107.39 19.1 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-O 121.393 0.616 . . . . 1.03 110.857 -173.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 65.2 m-85 -99.86 120.41 39.72 Favored 'General case' 0 N--CA 1.443 -0.799 0 CA-C-N 114.865 -1.061 . . . . 0.92 109.608 177.412 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . 0.562 ' HG3' ' O ' ' A' ' 142' ' ' LYS . 17.5 ptpt -95.37 162.36 13.7 Favored 'General case' 0 C--N 1.312 -1.058 0 N-CA-C 107.029 -1.471 . . . . 2.41 107.029 174.442 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . 0.562 ' O ' ' HG3' ' A' ' 141' ' ' LYS . 39.0 tttt -61.33 -178.95 0.14 Allowed 'General case' 0 C--N 1.312 -1.022 0 CA-C-N 118.816 0.734 . . . . 2.59 110.633 173.733 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . 0.711 ' NE2' ' HB3' ' A' ' 12' ' ' LYS . 65.4 mm-40 . . . . . 0 C--O 1.248 1.013 0 O-C-N 121.506 -0.746 . . . . 1.74 110.321 163.297 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1001 ' ' OLA . . . . . 0.615 ' H9 ' ' HA ' ' A' ' 36' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' -11' ' ' MET . . . . . . . . . . . . . 97.3 mmm . . . . . 0 N--CA 1.479 0.995 0 N-CA-C 110.083 -0.34 . . . . 14.72 110.083 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' -10' ' ' ARG . . . . . . . . . . . . . 18.1 tpp180 -157.27 -44.62 0.07 Allowed 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.097 -0.501 . . . . 16.38 110.251 -178.64 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' -9' ' ' GLY . . . . . . . . . . . . . . . 176.1 68.08 0.06 OUTLIER Glycine 0 N--CA 1.444 -0.778 0 C-N-CA 120.651 -0.785 . . . . 12.05 111.969 -179.101 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' -8' ' ' SER . . . . . . . . . . . . . 23.8 m -77.83 84.96 4.12 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.256 0.55 . . . . 11.72 109.988 178.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' -7' ' ' HIS . . . . . . . . . . . . . 31.9 m80 -74.18 96.15 2.71 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.452 -0.795 . . . . 12.39 110.719 -177.638 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' -6' ' ' HIS . . . . . . . . . . . . . 32.8 m170 -71.45 86.03 0.85 Allowed 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.434 -0.58 . . . . 11.6 109.434 176.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' -5' ' ' HIS . . . . . . . . . . . . . 33.6 p-80 -91.19 116.08 28.53 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.396 -0.82 . . . . 9.98 110.721 -176.095 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' -4' ' ' HIS . . . . . . . . . . . . . 8.2 p-80 -115.6 99.32 7.25 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.725 -0.67 . . . . 11.3 111.014 -178.291 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' -3' ' ' HIS . . . . . . . . . . . . . 63.3 m-70 -133.03 36.06 3.49 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.138 -0.69 . . . . 9.34 109.138 176.172 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 38.2 t-80 -111.12 21.97 15.77 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.083 -0.962 . . . . 7.77 109.459 -175.639 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 77.53 -56.57 3.77 Favored Glycine 0 N--CA 1.449 -0.441 0 N-CA-C 111.166 -0.773 . . . . 3.92 111.166 -174.093 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 20.1 m -151.37 137.05 17.92 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 109.054 -0.721 . . . . 3.42 109.054 174.607 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . 0.419 ' HZ3' ' HB2' ' A' ' 1' ' ' LYS . 3.2 ttmp? -65.33 137.51 57.57 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 108.154 -1.054 . . . . 3.45 108.154 171.041 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.741 ' HA ' ' OH ' ' A' ' 56' ' ' TYR . 0.7 OUTLIER -82.75 124.36 30.18 Favored 'General case' 0 C--N 1.315 -0.92 0 C-N-CA 119.853 -0.739 . . . . 1.44 110.763 -175.877 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.443 HD21 ' HA ' ' A' ' 3' ' ' LEU . 5.7 mt -57.12 126.99 75.3 Favored Pre-proline 0 C--N 1.323 -0.55 0 CA-C-N 115.018 -0.992 . . . . 1.33 111.489 179.471 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_exo -60.12 131.02 36.86 Favored 'Trans proline' 0 N--CA 1.455 -0.747 0 C-N-CA 122.475 2.117 . . . . 0.81 110.875 172.188 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -50.94 -26.22 5.65 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 115.647 -0.706 . . . . 2.19 111.771 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.411 ' O ' ' HD3' ' A' ' 120' ' ' ARG . 75.8 mmtt -57.76 -22.63 48.01 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.478 0.547 . . . . 3.1 112.478 176.842 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 23.8 m-85 -104.36 -1.56 26.71 Favored 'General case' 0 C--O 1.225 -0.215 0 O-C-N 121.639 -0.663 . . . . 0.74 110.74 178.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.474 HD22 ' HB3' ' A' ' 45' ' ' PHE . 95.6 mt -101.6 152.98 20.16 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.154 0.502 . . . . 1.12 111.703 -173.219 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 123.01 -117.75 3.36 Favored Glycine 0 N--CA 1.445 -0.737 0 CA-C-N 115.408 -0.815 . . . . 0.52 111.658 -179.34 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.548 ' O ' ' HD2' ' A' ' 142' ' ' LYS . 12.4 t -167.7 136.03 2.45 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.362 0.601 . . . . 1.62 110.111 178.54 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.408 ' HB3' ' HB3' ' A' ' 140' ' ' TYR . 67.0 m-85 -130.98 127.74 38.99 Favored 'General case' 0 C--N 1.311 -1.085 0 CA-C-N 115.547 -0.751 . . . . 0.57 111.711 -175.494 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.415 ' HB3' HE21 ' A' ' 143' ' ' GLN . 0.0 OUTLIER -95.9 135.93 36.99 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 120.139 -0.624 . . . . 2.65 109.419 169.66 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.7 tt -59.06 129.69 43.38 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.104 0.478 . . . . 1.79 111.157 -178.595 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -97.53 -52.59 3.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.864 -0.607 . . . . 2.08 110.143 -178.753 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 34.7 ptt-85 -154.9 175.82 13.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.798 0.332 . . . . 3.92 110.765 -176.777 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -149.4 158.11 43.89 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.19 -0.459 . . . . 1.19 110.549 179.491 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 37.3 mm-40 -136.14 123.6 22.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.31 -0.404 . . . . 2.66 111.019 -177.723 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 4.0 t30 69.17 29.31 4.7 Favored 'General case' 0 N--CA 1.475 0.806 0 CA-C-O 121.797 0.808 . . . . 0.97 111.116 174.28 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 31.9 t80 -72.89 -42.42 63.6 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.374 -0.83 . . . . 0.64 110.888 -175.16 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -52.56 -57.04 11.24 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 116.126 -0.488 . . . . 2.04 111.521 176.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -56.14 -38.81 71.33 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 116.434 -0.348 . . . . 1.79 111.56 -179.703 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.536 ' CE1' ' HE3' ' A' ' 129' ' ' MET . 60.2 t80 -58.82 -41.74 87.56 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 120.751 -0.38 . . . . 1.12 111.017 176.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 90.6 mt -65.8 -37.25 85.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.829 0.347 . . . . 1.13 110.883 -178.098 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 50.4 mtpt -64.87 -44.01 91.09 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.849 -0.614 . . . . 2.43 109.906 178.434 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.91 -40.36 84.3 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.285 -0.87 . . . . 1.2 110.893 176.054 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.501 ' NH1' ' HB2' ' A' ' 114' ' ' GLU . 16.6 mmm180 -65.11 -17.25 64.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.694 -0.685 . . . . 1.71 111.536 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 94.72 15.94 44.2 Favored Glycine 0 N--CA 1.443 -0.877 0 C-N-CA 120.597 -0.811 . . . . 0.62 112.258 -178.464 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.622 ' HH ' H151 ' A' 1001 ' ' OLA . 47.7 m-85 -84.11 125.58 32.27 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.889 0.376 . . . . 0.99 110.035 177.456 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.502 ' O ' ' HG3' ' A' ' 33' ' ' ARG . . . -77.6 -178.08 47.7 Favored Glycine 0 N--CA 1.443 -0.899 0 CA-C-N 115.659 -0.7 . . . . 1.54 111.856 179.651 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.568 ' O ' ' HG2' ' A' ' 34' ' ' GLN . 82.7 t90 -51.14 -49.94 59.86 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 111.918 0.34 . . . . 1.31 111.918 -175.894 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.42 HD11 ' HA ' ' A' ' 31' ' ' ILE . 1.6 mm -56.16 -55.5 18.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 N-CA-C 112.3 0.481 . . . . 2.68 112.3 -177.737 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.454 ' O ' HG13 ' A' ' 36' ' ' ILE . 54.9 mmm -57.52 -39.36 76.4 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 121.136 -0.226 . . . . 1.16 111.324 179.255 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.502 ' HG3' ' O ' ' A' ' 29' ' ' GLY . 61.1 mtm-85 -65.64 -26.38 67.79 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.815 -0.354 . . . . 2.48 110.628 179.23 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.568 ' HG2' ' O ' ' A' ' 30' ' ' TRP . 27.5 mm-40 -74.56 -26.43 59.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.078 0.466 . . . . 2.4 110.359 177.872 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.471 HG11 ' HE3' ' A' ' 64' ' ' LYS . 76.3 t -85.23 -65.17 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 120.942 0.401 . . . . 1.33 110.805 177.259 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.55 ' HA ' ' H9 ' ' A' 1001 ' ' OLA . 54.2 mt -47.62 -39.73 7.04 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.49 0 C-N-CA 124.003 0.921 . . . . 1.25 113.018 -178.007 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.434 ' HB2' ' O ' ' A' ' 33' ' ' ARG . 18.9 mtpp -72.64 -27.72 62.3 Favored 'General case' 0 N--CA 1.466 0.333 0 N-CA-C 112.388 0.514 . . . . 1.62 112.388 -179.003 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.555 HD21 ' O ' ' A' ' 34' ' ' GLN . 4.2 mm? -100.17 -1.57 36.25 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.839 0.352 . . . . 2.6 111.665 -173.022 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -84.13 115.6 22.48 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-O 120.876 0.37 . . . . 1.15 110.834 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.513 ' O ' ' HA ' ' A' ' 62' ' ' THR . . . -72.34 146.77 39.7 Favored Glycine 0 N--CA 1.447 -0.596 0 N-CA-C 110.802 -0.919 . . . . 0.84 110.802 174.859 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.554 ' HB ' HG21 ' A' ' 62' ' ' THR . 1.3 p -144.69 138.95 23.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-O 121.77 0.795 . . . . 1.88 112.365 -175.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 86.1 m -123.72 139.78 53.64 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 114.58 -1.191 . . . . 1.13 109.869 178.371 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.417 ' HE2' ' CE ' ' A' ' 127' ' ' MET . 40.6 mttp -117.65 135.0 54.29 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.916 0.389 . . . . 1.45 110.799 -179.631 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.435 ' HG2' ' OG1' ' A' ' 10' ' ' THR . 46.2 mtpt -132.28 120.13 21.73 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.179 -0.464 . . . . 2.46 110.823 -172.33 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.474 ' HB3' HD22 ' A' ' 8' ' ' LEU . 45.7 m-85 -113.14 133.98 54.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.307 -0.406 . . . . 0.63 110.635 -179.727 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.478 ' HG3' ' O ' ' A' ' 47' ' ' ASN . 6.9 ptp180 -156.08 166.01 34.73 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.691 0.281 . . . . 3.72 110.626 178.291 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.478 ' O ' ' HG3' ' A' ' 46' ' ' ARG . 54.0 m-80 -65.65 153.1 42.58 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 108.462 -0.94 . . . . 1.9 108.462 170.161 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.469 ' N ' ' HA ' ' A' ' 56' ' ' TYR . . . -47.96 133.73 14.31 Favored 'General case' 0 CA--C 1.515 -0.376 0 CA-C-O 121.656 0.741 . . . . 1.18 111.918 -173.176 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.47 -39.47 83.79 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 114.039 -1.437 . . . . 1.94 111.859 -173.224 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 50.8 m -79.43 12.15 2.61 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 112.211 0.449 . . . . 2.82 112.211 178.434 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 68.34 29.96 73.3 Favored Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 121.06 -0.591 . . . . 1.96 113.878 176.35 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.543 ' HD2' ' OD1' ' A' ' 71' ' ' ASP . 91.6 mttt -84.83 120.0 73.33 Favored Pre-proline 0 C--N 1.325 -0.491 0 CA-C-N 116.975 0.387 . . . . 3.54 110.077 177.018 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.462 ' O ' ' HB2' ' A' ' 54' ' ' ASP . 75.2 Cg_exo -55.26 142.71 78.29 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.963 2.442 . . . . 2.1 112.587 177.862 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.462 ' HB2' ' O ' ' A' ' 53' ' ' PRO . 48.6 m-20 84.22 -53.75 0.12 Allowed 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 114.932 -1.031 . . . . 2.44 110.199 176.735 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.401 ' HG2' ' HB2' ' A' ' 73' ' ' ALA . 74.5 mtt180 -66.13 152.78 44.02 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 112.744 0.646 . . . . 4.72 112.744 178.267 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.741 ' OH ' ' HA ' ' A' ' 2' ' ' THR . 28.6 m-85 -129.1 178.65 6.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.245 -0.888 . . . . 1.39 110.505 -178.562 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -131.54 135.72 47.27 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.377 -0.829 . . . . 1.1 108.877 174.691 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 8.0 tpt -138.51 131.83 30.25 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.508 0.194 . . . . 1.22 110.577 -176.327 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -127.09 146.26 50.44 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.267 0.556 . . . . 1.77 112.121 -175.773 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.546 ' HB2' ' HG1' ' A' ' 67' ' ' THR . 37.7 m-80 -123.75 101.58 7.36 Favored 'General case' 0 CA--C 1.515 -0.392 0 N-CA-C 108.353 -0.98 . . . . 1.55 108.353 172.899 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.528 ' O ' ' HA ' ' A' ' 41' ' ' VAL . 75.3 mt -97.12 112.5 24.25 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.86 -0.609 . . . . 2.22 110.903 -176.558 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.554 HG21 ' HB ' ' A' ' 41' ' ' VAL . 12.9 p -120.94 -170.7 2.05 Favored 'General case' 0 N--CA 1.445 -0.72 0 N-CA-C 109.243 -0.651 . . . . 1.16 109.243 178.498 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 43.0 p -90.15 -25.84 20.48 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-O 120.956 0.408 . . . . 1.14 111.038 -177.738 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.471 ' HE3' HG11 ' A' ' 35' ' ' VAL . 74.5 mmtt -104.11 -25.13 13.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 2.64 111.689 -172.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.415 ' HG2' ' O ' ' A' ' 82' ' ' ALA . 26.8 tptp -157.3 134.04 10.03 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.975 0.417 . . . . 2.34 110.751 178.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -106.23 134.65 49.03 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 109.445 -0.576 . . . . 2.12 109.445 175.173 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.546 ' HG1' ' HB2' ' A' ' 60' ' ' ASN . 69.0 p -115.93 151.42 35.4 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 109.494 -0.558 . . . . 1.17 109.494 177.74 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 9.8 t-160 -145.05 96.72 2.9 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 109.625 -0.509 . . . . 2.5 109.625 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.42 ' HD1' ' CG ' ' A' ' 80' ' ' ASP . 6.5 m-70 -72.27 88.08 1.15 Allowed 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.603 -0.726 . . . . 0.48 109.092 178.137 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 84.5 mttt -77.65 117.83 19.44 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.263 -0.881 . . . . 2.79 112.409 -176.788 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.543 ' OD1' ' HD2' ' A' ' 52' ' ' LYS . 11.9 t70 61.75 60.18 1.64 Allowed 'General case' 0 C--O 1.235 0.336 0 O-C-N 123.809 0.693 . . . . 2.07 111.603 165.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 67.2 p-90 -108.2 145.62 33.97 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.399 -0.364 . . . . 0.51 110.513 -178.388 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.632 ' O ' ' HB2' ' A' ' 76' ' ' GLU . . . -106.04 143.76 33.71 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 110.159 -0.312 . . . . 1.22 110.159 176.603 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.412 HD12 HD22 ' A' ' 94' ' ' LEU . 4.7 tt -59.79 120.97 10.56 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.595 -0.52 . . . . 2.28 109.595 171.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 96.07 10.83 55.79 Favored Glycine 0 N--CA 1.45 -0.422 0 CA-C-N 115.84 -0.618 . . . . 0.66 112.284 -173.637 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.632 ' HB2' ' O ' ' A' ' 73' ' ' ALA . 7.6 mm-40 -110.06 160.01 16.82 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.266 0.555 . . . . 2.37 111.278 -177.87 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.439 ' OE2' ' HD2' ' A' ' 89' ' ' LYS . 30.9 tt0 -131.48 110.1 10.76 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 114.882 -1.054 . . . . 1.4 108.804 -175.677 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 46.4 p90 -130.23 161.13 31.88 Favored 'General case' 0 C--N 1.319 -0.717 0 CA-C-N 116.178 -0.464 . . . . 0.69 110.711 -170.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 -92.99 153.0 18.99 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.364 0.602 . . . . 2.38 110.738 174.719 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.43 ' HB3' HD11 ' A' ' 90' ' ' ILE . 8.9 t70 -154.71 153.94 32.09 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.374 -0.83 . . . . 1.26 110.434 -174.074 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.469 ' O ' HG23 ' A' ' 67' ' ' THR . 7.0 pt-20 -88.18 87.41 7.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.925 0.869 . . . . 2.26 108.991 178.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.415 ' O ' ' HG2' ' A' ' 65' ' ' LYS . . . -78.64 171.67 14.8 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 114.423 -1.262 . . . . 1.61 113.514 -161.714 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.402 ' C ' ' H ' ' A' ' 85' ' ' SER . 91.1 mt -55.0 -30.68 59.99 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 115.81 -0.632 . . . . 1.98 111.289 -178.364 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.458 ' HA ' H141 ' A' 1001 ' ' OLA . 5.9 p-10 -76.96 21.1 0.22 Allowed 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.536 -0.757 . . . . 1.55 111.931 -178.043 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.402 ' H ' ' C ' ' A' ' 83' ' ' LEU . 16.1 m 77.62 -46.18 0.46 Allowed 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 123.904 0.882 . . . . 1.68 111.794 171.008 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 3.2 p -78.67 164.39 24.65 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 120.737 0.303 . . . . 1.5 110.365 176.271 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -110.42 141.84 42.95 Favored 'General case' 0 N--CA 1.44 -0.96 0 N-CA-C 109.384 -0.598 . . . . 1.88 109.384 177.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . 0.614 ' CB ' ' HA ' ' A' ' 106' ' ' LYS . 16.8 p80 -157.22 -176.12 5.79 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 116.249 -0.432 . . . . 1.51 111.879 -174.646 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.439 ' HD2' ' OE2' ' A' ' 77' ' ' GLU . 39.0 ttpt -73.1 142.9 47.54 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.092 -0.958 . . . . 1.95 111.048 -177.155 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.43 HD11 ' HB3' ' A' ' 80' ' ' ASP . 63.0 mt -145.63 128.85 10.48 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 115.474 -0.784 . . . . 1.19 110.063 177.52 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 2.2 m -109.57 139.86 44.07 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 120.833 0.349 . . . . 1.12 110.788 178.09 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.411 ' CE1' ' HG3' ' A' ' 102' ' ' GLU . 5.0 m-85 -116.9 128.29 55.09 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.099 -0.5 . . . . 0.81 109.671 175.139 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -159.92 151.7 20.19 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.97 -0.382 . . . . 1.69 109.97 -176.496 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.412 HD22 HD12 ' A' ' 74' ' ' LEU . 1.3 mm? -97.03 121.23 38.68 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 109.85 -0.426 . . . . 1.81 109.85 179.502 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 46.1 tptt -81.77 -48.13 12.02 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.883 -0.784 . . . . 3.48 108.883 -176.583 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -140.03 165.82 28.04 Favored Pre-proline 0 C--N 1.323 -0.563 0 N-CA-C 107.513 -1.291 . . . . 1.79 107.513 176.083 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 26.0 Cg_exo -64.56 2.33 1.3 Allowed 'Trans proline' 0 C--N 1.349 0.558 0 C-N-CA 122.958 2.439 . . . . 1.07 113.55 -173.705 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 74.2 m-20 -139.93 23.07 2.44 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.315 -0.402 . . . . 2.63 110.468 178.43 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.505 ' HA ' ' O ' ' A' ' 118' ' ' TYR . 85.6 m -151.03 108.59 3.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.229 0.538 . . . . 1.26 111.748 -179.077 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.564 HD22 ' N ' ' A' ' 101' ' ' THR . 6.4 tt -90.51 137.28 32.48 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.38 -0.97 . . . . 1.78 108.38 175.331 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' THR . . . . . 0.564 ' N ' HD22 ' A' ' 100' ' ' LEU . 3.6 p -114.36 126.48 55.04 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 120.854 0.359 . . . . 1.11 110.967 178.902 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.411 ' HG3' ' CE1' ' A' ' 92' ' ' PHE . 49.4 tt0 -115.86 109.43 17.62 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.856 -0.611 . . . . 1.31 109.765 178.349 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' THR . . . . . 0.426 ' O ' ' HA ' ' A' ' 90' ' ' ILE . 7.6 m -98.35 110.14 22.78 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.372 -0.376 . . . . 1.12 110.761 -175.752 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 29.0 m-70 -93.14 100.22 12.65 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.284 -0.417 . . . . 2.22 110.258 -179.408 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.468 ' HA ' HG13 ' A' ' 113' ' ' VAL . 30.0 mt -108.49 118.19 55.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 121.458 0.647 . . . . 1.36 111.723 179.718 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.614 ' HA ' ' CB ' ' A' ' 88' ' ' HIS . 46.5 mtpt -69.93 124.73 24.78 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.438 -0.801 . . . . 2.12 112.305 179.54 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.407 ' H ' ' CB ' ' A' ' 88' ' ' HIS . 93.9 t -63.65 -30.91 51.12 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.725 0 CA-C-N 114.547 -1.206 . . . . 2.03 109.891 173.254 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -70.35 -45.58 65.84 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 114.709 -1.132 . . . . 2.5 110.399 179.549 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . 0.506 ' O ' ' HB2' ' A' ' 106' ' ' LYS . 4.3 p-10 -158.7 107.02 1.62 Allowed Pre-proline 0 N--CA 1.453 -0.293 0 CA-C-O 121.698 0.761 . . . . 2.39 110.647 177.408 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . 0.401 ' HD2' ' HA ' ' A' ' 109' ' ' ASP . 70.1 Cg_endo -73.16 11.15 0.98 Allowed 'Trans proline' 0 CA--C 1.529 0.246 0 C-N-CA 123.527 2.818 . . . . 0.91 112.822 -179.689 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 39.2 p -90.92 -16.86 27.39 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.992 -0.549 . . . . 1.91 111.244 178.079 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -114.46 39.45 2.79 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.952 0.882 . . . . 1.59 109.866 -176.15 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.468 HG13 ' HA ' ' A' ' 105' ' ' ILE . 19.3 m -85.22 178.53 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 115.361 -0.836 . . . . 2.17 111.484 -175.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.501 ' HB2' ' NH1' ' A' ' 26' ' ' ARG . 8.7 tp10 -161.36 153.37 19.65 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.336 -0.393 . . . . 2.78 110.316 177.007 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 30.4 m -123.9 120.02 31.32 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.883 -0.599 . . . . 1.18 109.965 179.21 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 17.9 m-30 -95.23 146.94 23.98 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 107.788 -1.19 . . . . 1.49 107.788 176.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . 0.404 ' HB2' ' NH1' ' A' ' 119' ' ' ARG . 36.2 mt-10 -129.16 123.0 30.99 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.867 -0.79 . . . . 1.53 108.867 -178.407 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . 0.541 ' HB2' ' HB3' ' A' ' 100' ' ' LEU . 2.2 m-85 -98.44 122.12 41.23 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.378 -0.373 . . . . 1.0 110.755 -175.788 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . 0.404 ' NH1' ' HB2' ' A' ' 117' ' ' GLU . 0.0 OUTLIER -131.96 151.3 51.81 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 120.786 0.327 . . . . 3.96 110.375 173.033 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . 0.411 ' HD3' ' O ' ' A' ' 6' ' ' LYS . 9.0 tpt180 -101.31 105.86 16.98 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.34 -0.391 . . . . 2.25 110.449 -177.007 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -95.21 91.98 6.55 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.593 -0.521 . . . . 1.08 109.593 177.169 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 69.38 -100.15 0.71 Allowed Glycine 0 N--CA 1.446 -0.639 0 N-CA-C 111.124 -0.791 . . . . 1.04 111.124 -175.659 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -122.5 12.21 10.02 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.797 0.332 . . . . 2.31 111.003 176.151 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 92.7 m-85 -105.86 134.9 48.25 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.337 -0.392 . . . . 1.17 110.319 175.741 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -85.58 117.73 24.66 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 107.632 -1.247 . . . . 1.66 107.632 173.723 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 43.9 t -112.95 123.79 68.95 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.918 0 CA-C-O 121.39 0.614 . . . . 1.1 109.666 -174.56 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' MET . . . . . 0.501 ' HB3' ' HB3' ' A' ' 138' ' ' ARG . 20.7 ttm -105.19 140.42 38.38 Favored 'General case' 0 C--N 1.312 -1.024 0 CA-C-N 115.071 -0.968 . . . . 1.4 110.136 -179.786 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 38.8 tttm -112.47 126.21 55.07 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-N 115.851 -0.613 . . . . 2.68 109.386 176.768 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' MET . . . . . 0.536 ' HE3' ' CE1' ' A' ' 22' ' ' TYR . 49.4 mtp -124.62 119.81 30.09 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 107.985 -1.117 . . . . 1.66 107.985 177.083 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' SER . . . . . 0.477 ' HB3' ' HB3' ' A' ' 135' ' ' SER . 2.7 p -141.02 125.57 17.77 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 120.995 0.426 . . . . 1.5 112.138 -172.58 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' TRP . . . . . . . . . . . . . 70.1 t-105 -139.26 128.06 23.41 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.575 -0.739 . . . . 0.88 110.236 -178.157 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 53.9 mtmt 47.2 48.24 16.07 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 115.746 -0.661 . . . . 2.42 112.3 -176.724 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 86.77 -36.15 3.3 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.996 -0.621 . . . . 0.53 113.435 177.558 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 20.0 t -74.16 111.17 9.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 121.146 0.498 . . . . 1.13 110.204 -176.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' SER . . . . . 0.477 ' HB3' ' HB3' ' A' ' 130' ' ' SER . 0.1 OUTLIER -111.09 143.44 41.81 Favored 'General case' 0 N--CA 1.443 -0.778 0 CA-C-N 115.771 -0.65 . . . . 1.64 111.745 -177.36 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 8.2 t -129.89 140.09 51.03 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.771 -0.649 . . . . 1.1 110.191 175.637 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 6.9 m -102.92 118.79 37.6 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.153 0.502 . . . . 1.06 109.87 177.714 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . 0.501 ' HB3' ' HB3' ' A' ' 127' ' ' MET . 4.5 tpt180 -96.84 110.65 23.1 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.463 -0.79 . . . . 2.41 108.921 -179.505 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 99.2 m-85 -96.37 111.91 23.83 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.987 0.422 . . . . 1.03 111.811 -172.458 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 140' ' ' TYR . . . . . 0.408 ' HB3' ' HB3' ' A' ' 11' ' ' PHE . 55.6 m-85 -107.23 136.68 46.64 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.696 -0.683 . . . . 0.92 110.619 177.597 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 8.2 ptpt -112.21 163.19 14.64 Favored 'General case' 0 C--O 1.21 -0.983 0 N-CA-C 108.053 -1.092 . . . . 2.41 108.053 173.092 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . 0.548 ' HD2' ' O ' ' A' ' 10' ' ' THR . 29.0 tptp -45.24 159.13 0.06 Allowed 'General case' 0 CA--C 1.547 0.846 0 CA-C-O 121.196 0.522 . . . . 2.59 111.708 173.109 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . 0.415 HE21 ' HB3' ' A' ' 12' ' ' LYS . 4.1 mt-30 . . . . . 0 C--O 1.247 0.923 0 O-C-N 120.815 -1.178 . . . . 1.74 109.946 159.136 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1001 ' ' OLA . . . . . 0.622 H151 ' HH ' ' A' ' 28' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' -11' ' ' MET . . . . . . . . . . . . . 23.6 mmt . . . . . 0 N--CA 1.481 1.116 0 CA-C-O 120.603 0.239 . . . . 14.72 110.812 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' -10' ' ' ARG . . . . . . . . . . . . . 78.8 mtt180 -117.09 -65.65 1.16 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.753 0.311 . . . . 16.38 110.713 -179.687 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' -9' ' ' GLY . . . . . . . . . . . . . . . -171.35 114.13 0.52 Allowed Glycine 0 N--CA 1.446 -0.662 0 C-N-CA 121.001 -0.618 . . . . 12.05 111.857 179.778 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' -8' ' ' SER . . . . . . . . . . . . . 11.5 t -80.65 82.85 6.56 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.244 0.545 . . . . 11.72 110.154 -178.73 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' -7' ' ' HIS . . . . . . . . . . . . . 65.0 m-70 -67.04 -76.13 0.09 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.772 -0.649 . . . . 12.39 110.148 178.102 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' -6' ' ' HIS . . . . . . . . . . . . . 8.9 t-160 -118.84 -16.92 9.24 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 120.83 -0.348 . . . . 11.6 110.396 176.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' -5' ' ' HIS . . . . . . . . . . . . . 91.7 m-70 -78.88 72.6 5.41 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.604 -0.517 . . . . 9.98 109.604 176.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' -4' ' ' HIS . . . . . . . . . . . . . 37.7 m80 -83.71 -44.76 14.14 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.978 -0.555 . . . . 11.3 110.964 -175.761 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' -3' ' ' HIS . . . . . . . . . . . . . 76.7 m-70 -135.67 54.73 1.9 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.392 -0.367 . . . . 9.34 111.401 -177.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 20.0 t-80 -106.17 30.82 5.59 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 120.105 -0.638 . . . . 7.77 110.734 -179.483 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -85.27 60.46 4.75 Favored Glycine 0 N--CA 1.449 -0.451 0 N-CA-C 110.964 -0.855 . . . . 3.92 110.964 172.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 20.6 m -122.32 -178.16 3.81 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.553 0.692 . . . . 3.42 111.407 -174.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 7.2 ptmt -126.38 -163.67 1.25 Allowed 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 114.839 -1.073 . . . . 3.45 110.25 176.63 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.438 ' O ' ' HD3' ' A' ' 4' ' ' PRO . 25.5 m -66.84 147.43 53.26 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 115.818 -0.628 . . . . 1.44 109.8 174.017 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.729 ' H ' ' HH ' ' A' ' 56' ' ' TYR . 2.4 tm? -72.73 111.02 9.62 Favored Pre-proline 0 C--N 1.325 -0.459 0 N-CA-C 109.145 -0.687 . . . . 1.33 109.145 177.132 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.438 ' HD3' ' O ' ' A' ' 2' ' ' THR . 53.3 Cg_exo -54.31 123.56 13.89 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.641 2.227 . . . . 0.81 112.04 -179.881 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.435 ' HA ' HD11 ' A' ' 8' ' ' LEU . 23.2 m-20 -53.22 -22.33 6.61 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.278 -0.874 . . . . 2.19 112.735 -175.257 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 7.7 ptpp? -58.39 -27.71 64.52 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 111.72 0.267 . . . . 3.1 111.72 178.352 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 50.9 m-85 -85.03 -8.7 58.59 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.688 0.28 . . . . 0.74 110.744 -178.755 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.486 HD22 ' HB3' ' A' ' 45' ' ' PHE . 83.0 mt -99.27 145.17 27.58 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-O 121.145 0.498 . . . . 1.12 111.494 -169.491 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 138.01 -178.52 19.13 Favored Glycine 0 N--CA 1.446 -0.664 0 CA-C-N 115.522 -0.763 . . . . 0.52 111.954 -177.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 6.1 m -109.96 125.34 52.76 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.646 -0.501 . . . . 1.62 109.646 177.372 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.406 ' HA ' ' HA ' ' A' ' 142' ' ' LYS . 49.2 m-85 -124.36 137.56 54.46 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 111.657 0.243 . . . . 0.57 111.657 -175.016 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.703 ' HB3' ' NE2' ' A' ' 143' ' ' GLN . 15.1 ptmm? -103.78 132.03 50.42 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-O 120.994 0.425 . . . . 2.65 110.436 170.553 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.1 tt -49.73 123.65 8.28 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 115.845 -0.616 . . . . 1.79 111.059 -179.602 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -90.02 -55.13 3.74 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 116.43 -0.35 . . . . 2.08 110.622 179.541 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 13.5 ptt-85 -159.89 177.54 10.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.351 -0.386 . . . . 3.92 110.091 -178.246 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -135.88 172.43 13.03 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.744 0.307 . . . . 1.19 110.716 -178.515 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -155.4 110.3 2.98 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.06 -0.518 . . . . 2.66 110.468 -179.34 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 65.5 t30 72.03 20.08 4.45 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-O 121.765 0.793 . . . . 0.97 110.928 175.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 63.2 t80 -73.67 -39.1 64.68 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.446 -0.797 . . . . 0.64 110.991 -175.07 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.535 ' OD1' ' HE3' ' A' ' 24' ' ' LYS . 26.2 t70 -58.26 -51.45 69.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.555 -0.293 . . . . 2.04 110.998 178.092 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -53.48 -42.9 67.73 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 116.178 -0.464 . . . . 1.79 110.987 177.102 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.439 ' CE1' ' HE2' ' A' ' 129' ' ' MET . 90.8 t80 -59.29 -40.07 85.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.829 -0.623 . . . . 1.12 111.005 177.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 77.1 mt -63.43 -40.37 96.99 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.827 0.346 . . . . 1.13 110.455 -178.627 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.535 ' HE3' ' OD1' ' A' ' 20' ' ' ASP . 94.0 mttt -60.79 -47.73 85.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.025 -0.534 . . . . 2.43 110.008 178.662 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.17 -36.14 72.6 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.067 -0.97 . . . . 1.2 110.856 178.697 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 14.1 mmm180 -73.95 -8.01 54.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.024 -0.535 . . . . 1.71 111.824 -179.688 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 111.11 -6.68 28.93 Favored Glycine 0 N--CA 1.446 -0.67 0 C-N-CA 120.784 -0.722 . . . . 0.62 112.308 176.263 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.436 ' HB3' ' HB2' ' A' ' 32' ' ' MET . 36.7 m-85 -79.15 99.46 6.99 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.038 0.447 . . . . 0.99 109.86 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -68.12 -55.28 13.7 Favored Glycine 0 N--CA 1.45 -0.371 0 CA-C-N 115.685 -0.689 . . . . 1.54 113.397 -173.253 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.458 ' O ' ' HG2' ' A' ' 34' ' ' GLN . 83.2 t90 -154.93 -54.53 0.09 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.996 0.398 . . . . 1.31 111.169 -177.642 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.433 HD12 ' HA ' ' A' ' 31' ' ' ILE . 1.6 mm -53.19 -55.2 13.58 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.239 0 CA-C-N 116.53 -0.305 . . . . 2.68 111.813 -177.831 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.485 ' O ' HG13 ' A' ' 36' ' ' ILE . 64.2 mmm -60.15 -36.6 77.91 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.416 -0.356 . . . . 1.16 111.16 179.805 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.449 ' HD2' ' OD2' ' A' ' 20' ' ' ASP . 47.1 mtm105 -63.26 -30.84 71.9 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.929 -0.309 . . . . 2.48 110.662 177.871 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.503 ' O ' HD21 ' A' ' 38' ' ' LEU . 29.6 mm-40 -68.68 -30.79 69.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.123 0.487 . . . . 2.4 110.375 178.254 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.495 ' CG1' ' HG3' ' A' ' 64' ' ' LYS . 95.2 t -86.92 -65.28 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.208 -0.451 . . . . 1.33 111.548 179.564 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.499 ' HA ' ' H9 ' ' A' 1001 ' ' OLA . 61.0 mt -44.47 -44.02 2.34 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.501 0 N-CA-C 113.881 1.067 . . . . 1.25 113.881 -177.487 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 51.6 mtmt -74.63 -28.42 60.87 Favored 'General case' 0 N--CA 1.466 0.33 0 N-CA-C 111.97 0.359 . . . . 1.62 111.97 -176.596 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.503 HD21 ' O ' ' A' ' 34' ' ' GLN . 4.4 mm? -89.82 -11.95 40.57 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.035 0.445 . . . . 2.6 110.541 -174.81 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -78.1 113.62 16.2 Favored 'General case' 0 N--CA 1.445 -0.687 0 CA-C-N 115.633 -0.712 . . . . 1.15 110.65 178.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.642 ' O ' ' HA ' ' A' ' 62' ' ' THR . . . -68.1 141.02 36.94 Favored Glycine 0 N--CA 1.448 -0.515 0 N-CA-C 110.849 -0.9 . . . . 0.84 110.849 175.884 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.498 HG21 HH12 ' A' ' 138' ' ' ARG . 41.3 t -124.09 123.63 67.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-O 121.131 0.491 . . . . 1.88 111.202 -174.152 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 29.5 m -110.33 115.44 29.68 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.762 -0.653 . . . . 1.13 110.008 176.121 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.904 ' HZ1' ' HH ' ' A' ' 118' ' ' TYR . 74.2 mmtt -87.99 133.41 33.96 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.33 -0.395 . . . . 1.45 110.137 179.374 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.53 ' O ' ' HA ' ' A' ' 58' ' ' MET . 65.8 mttm -123.2 116.01 22.7 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.511 -0.313 . . . . 2.46 110.281 177.793 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.486 ' HB3' HD22 ' A' ' 8' ' ' LEU . 70.2 m-85 -120.6 138.99 53.61 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 109.951 -0.389 . . . . 0.63 109.951 175.766 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.444 ' O ' ' HB3' ' A' ' 56' ' ' TYR . 19.0 ptt180 -171.25 172.85 5.12 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.835 0.35 . . . . 3.72 110.902 -175.685 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 19.0 m120 -65.31 161.96 18.48 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 108.398 -0.964 . . . . 1.9 108.398 168.071 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.537 ' HA ' ' HB2' ' A' ' 57' ' ' ASP . . . -53.4 129.62 32.65 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-O 121.71 0.767 . . . . 1.18 111.476 -175.122 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -68.43 -40.43 81.2 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 114.473 -1.24 . . . . 1.94 112.131 -169.594 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 17.1 t -81.71 16.78 1.66 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.005 0.431 . . . . 2.82 110.955 179.301 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 73.05 22.43 79.07 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.945 -0.645 . . . . 1.96 113.036 177.287 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 13.9 tppt? -71.26 122.37 86.88 Favored Pre-proline 0 N--CA 1.443 -0.781 0 N-CA-C 109.756 -0.461 . . . . 3.54 109.756 176.237 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.577 ' O ' ' HB3' ' A' ' 54' ' ' ASP . 74.0 Cg_endo -72.67 142.95 36.82 Favored 'Trans proline' 0 C--O 1.237 0.458 0 C-N-CA 122.031 1.821 . . . . 2.1 112.08 -179.244 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.577 ' HB3' ' O ' ' A' ' 53' ' ' PRO . 9.9 t70 86.55 -56.34 0.06 Allowed 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 124.049 0.94 . . . . 2.44 109.781 176.866 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.42 ' HD3' ' HB3' ' A' ' 71' ' ' ASP . 58.7 mtt180 -67.52 155.83 38.13 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-O 121.847 0.832 . . . . 4.72 112.885 177.088 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.729 ' HH ' ' H ' ' A' ' 3' ' ' LEU . 30.9 m-85 -120.1 176.08 5.61 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 114.736 -1.12 . . . . 1.39 109.057 179.777 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.537 ' HB2' ' HA ' ' A' ' 48' ' ' ALA . 13.7 t70 -133.02 145.06 50.5 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 110.085 -0.339 . . . . 1.1 110.085 -177.159 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.569 ' HE2' ' OD1' ' A' ' 60' ' ' ASN . 1.6 tmt? -147.24 139.84 24.82 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.554 -0.294 . . . . 1.22 110.401 -175.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.438 ' HG2' ' HA ' ' A' ' 68' ' ' HIS . 32.7 mt-10 -135.76 157.4 46.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.332 0.586 . . . . 1.77 112.456 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.569 ' OD1' ' HE2' ' A' ' 58' ' ' MET . 36.7 m-80 -131.09 108.92 10.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 114.84 -1.073 . . . . 1.55 109.64 175.073 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 75.2 mt -103.02 127.78 50.13 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.573 -0.285 . . . . 2.22 110.323 177.365 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.642 ' HA ' ' O ' ' A' ' 40' ' ' GLY . 58.8 p -133.31 -169.27 2.24 Favored 'General case' 0 N--CA 1.445 -0.689 0 N-CA-C 109.624 -0.51 . . . . 1.16 109.624 -179.101 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 71.7 p -90.79 -19.98 22.87 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-O 121.054 0.454 . . . . 1.14 111.303 -179.086 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.495 ' HG3' ' CG1' ' A' ' 35' ' ' VAL . 32.8 mmmt -115.32 -20.57 10.27 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.251 -0.431 . . . . 2.64 111.402 -175.56 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.468 ' HB3' ' H ' ' A' ' 66' ' ' ASP . 29.7 mmmt -131.3 -156.21 0.74 Allowed 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.149 0.499 . . . . 2.34 111.266 -174.882 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.468 ' H ' ' HB3' ' A' ' 65' ' ' LYS . 5.0 p-10 162.04 120.47 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 114.249 -1.341 . . . . 2.12 107.767 -173.046 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.468 ' HG1' ' HB2' ' A' ' 60' ' ' ASN . 69.9 p -137.23 145.43 43.6 Favored 'General case' 0 C--N 1.313 -1.02 0 CA-C-N 115.901 -0.59 . . . . 1.17 109.815 -174.857 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.438 ' HA ' ' HG2' ' A' ' 59' ' ' GLU . 4.7 t-160 -132.55 93.46 3.24 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.927 0.394 . . . . 2.5 110.062 -177.722 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 8.0 m-70 -73.78 84.03 1.65 Allowed 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.928 -0.767 . . . . 0.48 108.928 175.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.41 ' HA ' ' OD2' ' A' ' 57' ' ' ASP . 15.2 ptpt -84.45 121.71 27.95 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 112.472 0.545 . . . . 2.79 112.472 -174.337 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.42 ' HB3' ' HD3' ' A' ' 55' ' ' ARG . 53.2 m-20 66.02 79.65 0.24 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 114.848 -1.069 . . . . 2.07 111.862 170.096 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' TRP . . . . . 0.468 ' HB3' ' CE1' ' A' ' 78' ' ' PHE . 43.7 p-90 -120.96 140.71 51.5 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.352 -0.386 . . . . 0.51 110.92 174.634 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.435 ' O ' ' HB3' ' A' ' 76' ' ' GLU . . . -106.98 153.61 22.31 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.113 -0.699 . . . . 1.22 109.113 172.151 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.406 HD11 ' HB2' ' A' ' 3' ' ' LEU . 4.6 mp -56.36 136.36 53.58 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.348 0.595 . . . . 2.28 111.594 173.545 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 72.56 15.07 77.52 Favored Glycine 0 N--CA 1.447 -0.592 0 CA-C-N 114.823 -1.081 . . . . 0.66 112.493 -177.292 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.435 ' HB3' ' O ' ' A' ' 73' ' ' ALA . 35.2 tt0 -107.77 127.32 53.6 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.471 0.653 . . . . 2.37 111.428 -177.72 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -97.49 122.43 40.55 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 114.802 -1.09 . . . . 1.4 109.49 174.162 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.468 ' CE1' ' HB3' ' A' ' 72' ' ' TRP . 37.2 p90 -132.48 158.81 41.12 Favored 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 109.475 -0.565 . . . . 0.69 109.475 -179.433 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 32.9 tt0 -90.53 140.63 29.55 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 109.4 -0.592 . . . . 2.38 109.4 177.458 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.483 ' HB3' HD12 ' A' ' 90' ' ' ILE . 5.5 t70 -168.58 164.78 12.41 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.708 -0.478 . . . . 1.26 109.708 -175.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.476 ' HA ' ' HA ' ' A' ' 87' ' ' GLN . 35.2 tt0 -97.14 118.17 32.97 Favored 'General case' 0 CA--C 1.514 -0.437 0 N-CA-C 109.52 -0.548 . . . . 2.26 109.52 178.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.537 ' HB3' ' OD1' ' A' ' 84' ' ' ASP . . . -94.82 -179.32 4.81 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-N 115.193 -0.912 . . . . 1.61 111.883 -178.143 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.499 ' O ' H132 ' A' 1001 ' ' OLA . 3.5 mm? -55.28 -26.85 42.7 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 111.704 0.261 . . . . 1.98 111.704 -177.106 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.537 ' OD1' ' HB3' ' A' ' 82' ' ' ALA . 17.0 p-10 -78.37 17.23 0.67 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.098 0.475 . . . . 1.55 111.987 -175.278 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.7 t 62.83 27.61 16.1 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.435 -0.802 . . . . 1.68 112.024 166.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 9.7 p -140.97 162.13 36.21 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 109.113 -0.699 . . . . 1.5 109.113 173.693 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.476 ' HA ' ' HA ' ' A' ' 81' ' ' GLU . 2.5 pt20 -110.58 128.52 55.69 Favored 'General case' 0 CA--C 1.504 -0.823 0 CA-C-O 121.558 0.694 . . . . 1.88 109.592 178.555 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . 0.711 ' HB2' ' O ' ' A' ' 105' ' ' ILE . 2.5 p80 -152.85 179.48 8.62 Favored 'General case' 0 C--N 1.308 -1.219 0 CA-C-N 114.915 -1.039 . . . . 1.51 109.927 -172.674 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.459 ' HZ3' ' HB3' ' A' ' 89' ' ' LYS . 0.2 OUTLIER -71.53 136.75 47.65 Favored 'General case' 0 C--O 1.236 0.382 0 C-N-CA 120.501 -0.48 . . . . 1.95 109.997 -177.173 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.483 HD12 ' HB3' ' A' ' 80' ' ' ASP . 50.4 mt -134.11 126.76 50.36 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.928 0 CA-C-N 115.415 -0.811 . . . . 1.19 110.24 -178.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 18.6 m -112.92 128.08 56.38 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-N 116.141 -0.481 . . . . 1.12 110.697 178.66 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -103.79 122.83 45.92 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 108.504 -0.925 . . . . 0.81 108.504 172.397 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 20.6 t0 -156.62 156.02 32.81 Favored 'General case' 0 C--N 1.316 -0.887 0 N-CA-C 108.977 -0.749 . . . . 1.69 108.977 -172.125 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 2.4 mp -100.85 134.94 43.07 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-O 121.256 0.551 . . . . 1.81 110.822 -178.635 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 53.4 tttp -94.4 -54.28 3.59 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.314 -0.857 . . . . 3.48 108.77 -178.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.481 ' C ' ' H ' ' A' ' 98' ' ' ASN . 7.4 m-20 -121.85 167.98 12.47 Favored Pre-proline 0 C--N 1.323 -0.578 0 N-CA-C 108.345 -0.983 . . . . 1.79 108.345 174.431 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 15.3 Cg_exo -70.97 14.65 0.33 Allowed 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.925 2.417 . . . . 1.07 112.175 179.059 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . 0.481 ' H ' ' C ' ' A' ' 96' ' ' ASP . 30.8 p30 -147.61 14.47 1.08 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.561 -0.745 . . . . 2.63 110.18 176.886 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 57.1 m -141.08 111.53 6.87 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-O 121.104 0.478 . . . . 1.26 112.123 -176.133 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.523 ' HB3' ' HB2' ' A' ' 118' ' ' TYR . 0.6 OUTLIER -82.84 155.98 23.87 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.862 -1.162 . . . . 1.78 107.862 171.664 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' THR . . . . . 0.507 HG21 ' HG2' ' A' ' 117' ' ' GLU . 15.0 p -134.59 135.27 42.11 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 118.672 0.669 . . . . 1.11 111.036 173.435 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.402 ' O ' ' HA ' ' A' ' 115' ' ' THR . 64.0 tt0 -115.4 106.12 13.62 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.566 -0.743 . . . . 1.31 109.463 177.041 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' THR . . . . . 0.405 ' O ' ' HA ' ' A' ' 90' ' ' ILE . 52.2 m -104.89 119.64 39.5 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 109.973 -0.38 . . . . 1.12 109.973 -178.536 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . 0.632 ' HB2' ' CE1' ' A' ' 88' ' ' HIS . 29.2 p80 -120.78 117.94 28.73 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.454 -0.498 . . . . 2.22 111.348 179.634 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.711 ' O ' ' HB2' ' A' ' 88' ' ' HIS . 53.6 mt -119.5 132.12 70.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.449 -0.796 . . . . 1.36 110.62 -177.227 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.47 ' HG3' ' HB3' ' A' ' 112' ' ' ASP . 39.4 mmtm -55.93 119.87 6.52 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 115.702 -0.681 . . . . 2.12 112.748 -179.664 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.536 ' CG2' ' HA ' ' A' ' 88' ' ' HIS . 82.7 t -63.86 -39.43 85.41 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.554 0 CA-C-N 115.464 -0.789 . . . . 2.03 110.704 172.244 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -62.62 -36.94 84.4 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.039 -0.982 . . . . 2.5 110.751 -177.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . 0.403 ' O ' ' HB2' ' A' ' 106' ' ' LYS . 29.6 t70 -169.99 101.23 0.45 Allowed Pre-proline 0 C--N 1.323 -0.58 0 CA-C-N 115.533 -0.758 . . . . 2.39 108.996 -176.719 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -71.47 24.8 0.23 Allowed 'Trans proline' 0 C--O 1.233 0.241 0 C-N-CA 123.928 3.085 . . . . 0.91 114.443 -169.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 81.2 p -78.41 -28.85 46.94 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 109.603 -0.517 . . . . 1.91 109.603 174.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . 0.47 ' HB3' ' HG3' ' A' ' 106' ' ' LYS . 35.8 t70 -91.99 109.51 20.85 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 116.053 -0.521 . . . . 1.59 110.047 175.432 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -131.35 125.97 57.76 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.113 0 CA-C-N 115.468 -0.787 . . . . 2.17 109.093 -178.508 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.57 ' HB3' ' CE1' ' A' ' 104' ' ' HIS . 37.1 tt0 -138.15 140.26 39.78 Favored 'General case' 0 C--N 1.316 -0.861 0 C-N-CA 120.71 -0.396 . . . . 2.78 110.68 -178.275 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' THR . . . . . 0.402 ' HA ' ' O ' ' A' ' 102' ' ' GLU . 47.8 m -133.17 133.11 42.39 Favored 'General case' 0 N--CA 1.445 -0.681 0 CA-C-N 115.763 -0.653 . . . . 1.18 110.956 -174.873 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' TYR . . . . . 0.473 ' HB3' ' HE3' ' A' ' 127' ' ' MET . 2.7 m-85 -106.36 158.41 16.9 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 107.241 -1.392 . . . . 1.49 107.241 171.674 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . 0.507 ' HG2' HG21 ' A' ' 101' ' ' THR . 31.0 mt-10 -129.97 111.29 12.39 Favored 'General case' 0 N--CA 1.443 -0.822 0 N-CA-C 107.695 -1.224 . . . . 1.53 107.695 -179.301 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . 0.904 ' HH ' ' HZ1' ' A' ' 43' ' ' LYS . 95.9 m-85 -87.86 86.32 7.14 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.035 0.445 . . . . 1.0 110.056 -177.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 19.3 ttt85 -93.93 153.25 18.32 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.723 -0.671 . . . . 3.96 109.91 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . 0.535 ' NH2' ' HA ' ' A' ' 123' ' ' ASP . 12.4 mmm180 -109.91 121.61 45.63 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-O 120.924 0.392 . . . . 2.25 111.581 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -122.15 100.77 7.14 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.819 -0.628 . . . . 1.08 109.766 176.065 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 69.54 -111.6 3.97 Favored Glycine 0 N--CA 1.443 -0.872 0 C-N-CA 120.686 -0.769 . . . . 1.04 111.269 -176.413 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . 0.535 ' HA ' ' NH2' ' A' ' 120' ' ' ARG . 38.0 t70 -112.74 4.2 16.94 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.301 0.572 . . . . 2.31 110.267 176.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 74.8 m-85 -100.16 140.74 33.97 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.107 -0.497 . . . . 1.17 110.735 -178.4 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.468 HD22 ' HB3' ' A' ' 118' ' ' TYR . 0.3 OUTLIER -87.22 123.36 32.15 Favored 'General case' 0 N--CA 1.445 -0.68 0 N-CA-C 107.671 -1.233 . . . . 1.66 107.671 173.004 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 77.4 t -111.8 113.15 43.37 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.052 0 CA-C-O 121.075 0.464 . . . . 1.1 109.912 -176.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' MET . . . . . 0.473 ' HE3' ' HB3' ' A' ' 116' ' ' TYR . 27.6 ttm -90.55 141.07 29.14 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-N 115.63 -0.714 . . . . 1.4 109.95 177.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 33.0 ttmt -134.25 136.28 43.5 Favored 'General case' 0 C--N 1.315 -0.896 0 N-CA-C 109.575 -0.528 . . . . 2.68 109.575 174.507 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' MET . . . . . 0.439 ' HE2' ' CE1' ' A' ' 22' ' ' TYR . 2.5 ptm -146.74 135.77 22.48 Favored 'General case' 0 C--N 1.313 -1.004 0 N-CA-C 108.766 -0.827 . . . . 1.66 108.766 -179.292 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' SER . . . . . 0.474 ' HA ' ' O ' ' A' ' 134' ' ' VAL . 6.2 p -131.4 136.93 48.43 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.977 0.418 . . . . 1.5 111.944 -172.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' TRP . . . . . 0.566 ' CD1' ' HG2' ' A' ' 132' ' ' LYS . 47.3 t-105 -151.07 131.66 13.91 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.77 -0.65 . . . . 0.88 110.116 176.079 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . 0.566 ' HG2' ' CD1' ' A' ' 131' ' ' TRP . 74.9 mmtt 53.29 37.37 25.11 Favored 'General case' 0 C--N 1.328 -0.355 0 O-C-N 123.746 0.654 . . . . 2.42 111.321 -178.248 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 85.72 -12.52 59.15 Favored Glycine 0 CA--C 1.519 0.34 0 C-N-CA 121.057 -0.592 . . . . 0.53 113.247 179.379 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . 0.474 ' O ' ' HA ' ' A' ' 130' ' ' SER . 4.8 t -83.93 105.51 13.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 117.03 0.415 . . . . 1.13 110.245 -178.55 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -101.22 128.4 47.36 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 116.108 -0.497 . . . . 1.64 110.745 176.183 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 3.1 t -123.44 136.37 54.57 Favored 'General case' 0 C--N 1.311 -1.081 0 CA-C-N 115.721 -0.672 . . . . 1.1 110.52 179.318 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 137' ' ' SER . . . . . 0.436 ' HA ' ' O ' ' A' ' 127' ' ' MET . 16.6 m -108.1 111.03 22.86 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-N 116.064 -0.517 . . . . 1.06 109.715 175.321 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . 0.556 HH11 ' HH ' ' A' ' 140' ' ' TYR . 7.7 ttt180 -96.87 120.61 37.53 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 109.077 -0.712 . . . . 2.41 109.077 179.385 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 91.3 m-85 -93.51 111.02 22.6 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.166 0.508 . . . . 1.03 111.063 -172.055 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 140' ' ' TYR . . . . . 0.556 ' HH ' HH11 ' A' ' 138' ' ' ARG . 93.6 m-85 -103.78 121.77 43.72 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.519 -0.764 . . . . 0.92 110.384 178.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . 0.585 ' HD2' ' O ' ' A' ' 142' ' ' LYS . 5.0 tmmm? -101.76 152.99 20.21 Favored 'General case' 0 N--CA 1.436 -1.166 0 N-CA-C 107.423 -1.325 . . . . 2.41 107.423 179.424 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . 0.585 ' O ' ' HD2' ' A' ' 141' ' ' LYS . 80.9 tttt -50.89 166.23 0.09 Allowed 'General case' 0 CA--C 1.547 0.83 0 CA-C-O 121.719 0.771 . . . . 2.59 112.253 179.671 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . 0.703 ' NE2' ' HB3' ' A' ' 12' ' ' LYS . 53.5 mm-40 . . . . . 0 C--O 1.247 0.966 0 O-C-N 121.099 -1.001 . . . . 1.74 110.59 163.007 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1001 ' ' OLA . . . . . 0.659 H141 ' C10' ' A' 1001 ' ' OLA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' -11' ' ' MET . . . . . . . . . . . . . 1.5 mpt? . . . . . 0 N--CA 1.481 1.116 0 CA-C-O 120.809 0.337 . . . . 14.72 110.794 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' -10' ' ' ARG . . . . . 0.632 ' NE ' ' HA ' ' A' ' -10' ' ' ARG . 2.9 mmp_? -132.65 16.69 4.34 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.064 -0.516 . . . . 16.38 110.467 175.132 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' -9' ' ' GLY . . . . . . . . . . . . . . . 110.22 -159.03 14.11 Favored Glycine 0 N--CA 1.445 -0.707 0 C-N-CA 120.875 -0.679 . . . . 12.05 112.073 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' -8' ' ' SER . . . . . . . . . . . . . 66.7 m -156.25 156.43 34.07 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 110.16 -0.311 . . . . 11.72 110.16 178.762 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' -7' ' ' HIS . . . . . . . . . . . . . 20.3 m170 58.32 56.07 4.66 Favored 'General case' 0 C--N 1.33 -0.262 0 O-C-N 123.598 0.561 . . . . 12.39 112.347 176.505 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' -6' ' ' HIS . . . . . . . . . . . . . 48.8 m80 -90.3 -55.45 3.59 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 108.99 -0.745 . . . . 11.6 108.99 172.045 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' -5' ' ' HIS . . . . . . . . . . . . . 10.9 p-80 -175.77 -159.98 0.07 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 114.685 -1.143 . . . . 9.98 108.334 179.261 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' -4' ' ' HIS . . . . . . . . . . . . . 16.7 m80 -71.22 82.46 0.73 Allowed 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.371 0.605 . . . . 11.3 110.451 174.202 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' -3' ' ' HIS . . . . . . . . . . . . . 81.6 t60 -100.11 115.09 28.97 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.441 -0.8 . . . . 9.34 110.043 -179.338 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 54.0 m-70 -68.35 127.09 31.7 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.932 -0.576 . . . . 7.77 109.821 179.039 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -61.19 -44.56 97.97 Favored Glycine 0 CA--C 1.508 -0.371 0 N-CA-C 110.905 -0.878 . . . . 3.92 110.905 177.071 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 15.3 m -105.59 119.09 38.23 Favored 'General case' 0 N--CA 1.442 -0.832 0 N-CA-C 108.578 -0.897 . . . . 3.42 108.578 169.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . 0.615 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 87.2 mttt -73.48 91.99 1.84 Allowed 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.439 -0.346 . . . . 3.45 110.355 -177.064 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.6 m -60.37 139.82 57.47 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.055 -0.521 . . . . 1.44 109.654 -174.8 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.41 ' HB2' ' CZ ' ' A' ' 56' ' ' TYR . 0.4 OUTLIER -57.17 118.81 26.7 Favored Pre-proline 0 C--O 1.233 0.216 0 O-C-N 123.36 0.413 . . . . 1.33 111.808 -170.179 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_exo -59.82 131.06 37.73 Favored 'Trans proline' 0 N--CA 1.461 -0.432 0 C-N-CA 122.743 2.295 . . . . 0.81 111.012 172.221 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.42 ' HA ' HD13 ' A' ' 8' ' ' LEU . 7.9 p-10 -56.57 -22.04 30.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.063 -0.517 . . . . 2.19 111.72 -179.297 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 34.9 ttmt -59.02 -22.46 60.71 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 116.091 -0.504 . . . . 3.1 111.993 176.218 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -99.32 2.86 45.8 Favored 'General case' 0 C--N 1.331 -0.198 0 O-C-N 122.086 -0.384 . . . . 0.74 111.495 -179.701 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.42 HD13 ' HA ' ' A' ' 5' ' ' ASP . 97.3 mt -97.56 151.72 19.76 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.451 0.643 . . . . 1.12 111.648 -173.332 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 121.04 173.66 14.76 Favored Glycine 0 N--CA 1.442 -0.94 0 CA-C-N 114.972 -1.013 . . . . 0.52 111.681 -178.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 12.2 m -99.16 125.72 44.78 Favored 'General case' 0 N--CA 1.444 -0.745 0 N-CA-C 109.528 -0.545 . . . . 1.62 109.528 176.504 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 61.5 m-85 -118.36 129.63 55.54 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.311 -0.404 . . . . 0.57 111.016 -177.045 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.64 ' HB3' ' NE2' ' A' ' 143' ' ' GLN . 21.6 ptmt -97.72 134.72 40.52 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 120.088 -0.645 . . . . 2.65 110.685 172.018 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.422 ' HA ' ' HA ' ' A' ' 140' ' ' TYR . 6.5 tt -55.64 120.61 7.52 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 116.247 -0.433 . . . . 1.79 110.474 178.217 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -90.49 -53.08 4.59 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.958 -0.564 . . . . 2.08 110.369 -178.325 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 23.3 ptt-85 -143.3 159.84 41.6 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.951 0.405 . . . . 3.92 110.107 179.108 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -132.87 137.29 46.64 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 115.693 -0.685 . . . . 1.19 110.103 -172.531 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -140.31 124.56 17.71 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 111.899 0.333 . . . . 2.66 111.899 -173.215 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.4 t30 67.41 20.04 9.97 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 123.501 0.721 . . . . 0.97 111.796 172.452 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 19.5 t80 -75.6 -38.54 58.99 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.643 -0.708 . . . . 0.64 110.835 -176.065 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.427 ' O ' ' HG3' ' A' ' 24' ' ' LYS . 10.5 p-10 -64.28 -42.13 96.57 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 110.259 -0.275 . . . . 2.04 110.259 178.079 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 35.9 mm-40 -52.28 -45.14 65.35 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-O 120.914 0.388 . . . . 1.79 110.601 173.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.492 ' CE1' ' HE3' ' A' ' 129' ' ' MET . 60.4 t80 -59.46 -42.23 91.52 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.552 -0.749 . . . . 1.12 111.06 176.198 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 82.8 mt -64.29 -40.1 95.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.943 0.402 . . . . 1.13 110.889 -175.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.435 ' HG2' ' NH1' ' A' ' 33' ' ' ARG . 89.3 mttt -62.46 -50.9 69.6 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.795 -0.639 . . . . 2.43 109.819 178.242 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.45 -37.03 79.65 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 114.938 -1.028 . . . . 1.2 111.343 178.114 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.531 ' HA ' ' CD1' ' A' ' 131' ' ' TRP . 7.8 tpt180 -73.23 -8.87 57.7 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.04 -0.527 . . . . 1.71 111.452 -177.343 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 97.04 25.84 10.9 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.305 -0.95 . . . . 0.62 113.466 174.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.615 ' OH ' H141 ' A' 1001 ' ' OLA . 82.4 m-85 -96.75 112.59 24.28 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.161 -0.681 . . . . 0.99 109.161 173.363 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -71.25 -59.07 5.17 Favored Glycine 0 N--CA 1.449 -0.452 0 CA-C-N 115.141 -0.936 . . . . 1.54 113.764 -170.776 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 67.0 t90 -155.07 -56.41 0.1 Allowed 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 117.322 0.561 . . . . 1.31 112.092 -178.727 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.59 HD13 ' H ' ' A' ' 31' ' ' ILE . 3.8 mp -55.4 -50.2 67.36 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.642 0 CA-C-O 121.559 0.695 . . . . 2.68 109.871 -173.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.506 ' O ' HG13 ' A' ' 36' ' ' ILE . 69.5 mmm -64.23 -31.47 72.68 Favored 'General case' 0 N--CA 1.433 -1.289 0 CA-C-N 114.959 -1.019 . . . . 1.16 111.287 -177.374 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.435 ' NH1' ' HG2' ' A' ' 24' ' ' LYS . 14.2 mtm180 -69.72 -22.19 63.41 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 120.473 -0.491 . . . . 2.48 110.19 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.531 ' O ' HD22 ' A' ' 38' ' ' LEU . 25.7 mm-40 -81.08 -30.4 34.73 Favored 'General case' 0 N--CA 1.455 -0.186 0 CA-C-N 116.215 -0.448 . . . . 2.4 110.926 178.008 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.493 HG22 ' HA ' ' A' ' 32' ' ' MET . 4.3 m -88.22 -55.01 6.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 N-CA-C 111.7 0.259 . . . . 1.33 111.7 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.629 ' HA ' ' H9 ' ' A' 1001 ' ' OLA . 66.1 mt -48.0 -46.93 12.83 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.398 0 N-CA-C 113.044 0.757 . . . . 1.25 113.044 -179.448 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 48.4 mtmt -74.53 -22.95 58.76 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 112.288 0.477 . . . . 1.62 112.288 -174.796 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.531 HD22 ' O ' ' A' ' 34' ' ' GLN . 4.5 mm? -90.63 -6.71 54.25 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.069 0.461 . . . . 2.6 110.919 -176.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.705 ' HA ' ' OG1' ' A' ' 63' ' ' THR . . . -83.2 109.96 17.65 Favored 'General case' 0 N--CA 1.442 -0.859 0 CA-C-N 115.842 -0.617 . . . . 1.15 110.659 176.406 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.673 ' O ' ' HA ' ' A' ' 62' ' ' THR . . . -65.78 139.58 39.09 Favored Glycine 0 N--CA 1.447 -0.603 0 N-CA-C 110.633 -0.987 . . . . 0.84 110.633 175.021 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 22.0 t -117.33 123.17 71.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-O 121.166 0.508 . . . . 1.88 111.738 -172.514 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 58.0 m -116.21 117.13 29.17 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.63 -0.714 . . . . 1.13 109.666 174.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.578 ' HE3' ' ND2' ' A' ' 60' ' ' ASN . 40.1 mmtm -99.3 130.66 45.6 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.336 -0.393 . . . . 1.45 110.016 -179.004 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.515 ' O ' ' HG2' ' A' ' 58' ' ' MET . 36.6 ttmt -130.34 127.93 40.44 Favored 'General case' 0 C--N 1.32 -0.679 0 C-N-CA 121.015 -0.274 . . . . 2.46 111.133 -176.677 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 77.2 m-85 -122.85 132.69 54.31 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.361 -0.607 . . . . 0.63 109.361 176.314 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 12.8 ptm180 -162.9 171.83 16.02 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.108 0.48 . . . . 3.72 111.558 -178.694 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 -67.87 146.36 53.73 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.116 -0.947 . . . . 1.9 108.913 173.011 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -52.71 141.52 20.82 Favored 'General case' 0 CA--C 1.512 -0.489 0 CA-C-O 121.618 0.723 . . . . 1.18 111.069 -179.238 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.88 -31.95 69.05 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 114.13 -1.395 . . . . 1.94 112.781 -168.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.637 ' OG ' ' HE2' ' A' ' 52' ' ' LYS . 2.5 p -78.87 15.23 1.12 Allowed 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.353 0.501 . . . . 2.82 112.353 178.727 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 65.09 43.46 95.62 Favored Glycine 0 C--N 1.331 0.252 0 C-N-CA 121.127 -0.559 . . . . 1.96 113.112 177.297 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.637 ' HE2' ' OG ' ' A' ' 50' ' ' SER . 51.7 mtmt -111.7 131.11 22.53 Favored Pre-proline 0 C--N 1.322 -0.606 0 CA-C-O 120.515 0.198 . . . . 3.54 110.725 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -76.72 161.17 33.96 Favored 'Trans proline' 0 N--CA 1.462 -0.355 0 C-N-CA 122.759 2.306 . . . . 2.1 111.781 177.255 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 65.71 5.9 3.59 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-O 121.563 0.697 . . . . 2.44 110.52 175.425 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 22.2 mmt180 -137.23 123.22 20.23 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 114.84 -1.073 . . . . 4.72 108.334 175.395 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.41 ' CZ ' ' HB2' ' A' ' 3' ' ' LEU . 97.3 m-85 -116.43 165.32 13.36 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-O 121.298 0.57 . . . . 1.39 111.966 -172.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -123.04 130.92 53.42 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.022 -0.99 . . . . 1.1 108.45 177.354 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.559 ' SD ' ' HD2' ' A' ' 69' ' ' HIS . 1.5 tmt? -140.19 138.11 34.89 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 109.92 -0.4 . . . . 1.22 109.92 -174.573 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -133.34 145.84 50.76 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.182 0.515 . . . . 1.77 111.987 -176.247 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.578 ' ND2' ' HE3' ' A' ' 43' ' ' LYS . 0.6 OUTLIER -118.32 73.75 0.92 Allowed 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 108.527 -0.916 . . . . 1.55 108.527 176.702 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -72.8 129.61 38.57 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.484 -0.325 . . . . 2.22 110.347 -176.134 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.673 ' HA ' ' O ' ' A' ' 40' ' ' GLY . 55.6 p -137.14 -177.16 4.64 Favored 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 109.795 -0.446 . . . . 1.16 109.795 179.268 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.705 ' OG1' ' HA ' ' A' ' 39' ' ' ALA . 27.7 p -95.29 -16.8 22.17 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.967 0.413 . . . . 1.14 110.849 179.289 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.436 ' HG2' ' C10' ' A' 1001 ' ' OLA . 25.4 tptp -106.26 -20.1 13.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.045 -0.525 . . . . 2.64 110.507 -176.514 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.609 ' HG3' ' H ' ' A' ' 66' ' ' ASP . 32.4 tptt -143.59 -145.39 0.17 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.832 0.349 . . . . 2.34 110.357 -178.012 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.609 ' H ' ' HG3' ' A' ' 65' ' ' LYS . 17.5 t70 160.3 119.29 0.0 OUTLIER 'General case' 0 C--N 1.316 -0.858 0 C-N-CA 124.469 1.108 . . . . 2.12 109.459 -168.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.495 HG23 ' O ' ' A' ' 81' ' ' GLU . 45.2 p -122.46 160.5 25.39 Favored 'General case' 0 C--N 1.312 -1.06 0 CA-C-N 116.008 -0.542 . . . . 1.17 109.971 175.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 3.8 t-160 -143.76 88.15 1.97 Allowed 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.212 0.53 . . . . 2.5 110.266 178.072 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.559 ' HD2' ' SD ' ' A' ' 58' ' ' MET . 13.3 m-70 -76.85 85.1 3.43 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.145 -0.687 . . . . 0.48 109.145 178.212 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.27 131.7 37.28 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 112.436 0.532 . . . . 2.79 112.436 -176.202 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 63.87 48.97 2.98 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.154 -0.93 . . . . 2.07 112.157 168.371 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' TRP . . . . . 0.424 ' HE1' ' CB ' ' A' ' 58' ' ' MET . 69.3 p-90 -104.45 159.25 15.88 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.003 0.43 . . . . 0.51 110.48 179.151 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.614 ' O ' ' HB3' ' A' ' 76' ' ' GLU . . . -134.24 156.55 48.19 Favored 'General case' 0 C--N 1.317 -0.833 0 N-CA-C 109.329 -0.619 . . . . 1.22 109.329 171.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.615 ' HG ' ' O ' ' A' ' 1' ' ' LYS . 0.0 OUTLIER -66.9 142.94 57.12 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-O 121.735 0.779 . . . . 2.28 110.237 173.058 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 78.35 3.66 86.11 Favored Glycine 0 C--N 1.315 -0.628 0 CA-C-N 114.712 -1.131 . . . . 0.66 111.85 -170.519 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.614 ' HB3' ' O ' ' A' ' 73' ' ' ALA . 8.9 tp10 -113.56 156.49 23.52 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-O 120.87 0.367 . . . . 2.37 110.475 -178.283 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.449 ' HA ' ' HA ' ' A' ' 91' ' ' THR . 1.1 pt-20 -135.51 139.58 44.1 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 108.86 -0.792 . . . . 1.4 108.86 -179.191 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 31.6 p90 -143.56 157.77 44.17 Favored 'General case' 0 C--N 1.316 -0.879 0 O-C-N 122.321 -0.237 . . . . 0.69 110.472 179.291 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 32.6 tt0 -88.32 138.35 31.52 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.666 -0.494 . . . . 2.38 109.666 177.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.479 ' O ' ' HA ' ' A' ' 87' ' ' GLN . 50.0 t0 -159.63 164.99 33.65 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.357 -0.383 . . . . 1.26 110.023 -174.564 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.495 ' O ' HG23 ' A' ' 67' ' ' THR . 35.4 tt0 -100.51 103.58 14.92 Favored 'General case' 0 CA--C 1.511 -0.536 0 N-CA-C 108.572 -0.899 . . . . 2.26 108.572 179.37 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -82.76 179.13 7.87 Favored 'General case' 0 C--N 1.311 -1.099 0 CA-C-N 114.569 -1.196 . . . . 1.61 112.566 -171.391 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.478 HD22 ' H ' ' A' ' 83' ' ' LEU . 2.9 mm? -54.69 -29.47 53.02 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 121.425 0.631 . . . . 1.98 110.097 178.303 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.405 ' HA ' H142 ' A' 1001 ' ' OLA . 1.7 p30 -68.99 2.81 2.4 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 114.607 -1.179 . . . . 1.55 112.302 -177.016 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 24.2 m 68.18 19.33 9.16 Favored 'General case' 0 C--O 1.232 0.182 0 C-N-CA 122.948 0.499 . . . . 1.68 112.177 173.145 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 15.4 p -129.2 165.44 21.34 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.381 -0.372 . . . . 1.5 110.088 174.418 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.479 ' HA ' ' O ' ' A' ' 80' ' ' ASP . 0.0 OUTLIER -110.89 121.9 46.51 Favored 'General case' 0 CA--C 1.509 -0.604 0 N-CA-C 108.851 -0.796 . . . . 1.88 108.851 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . 0.554 ' CB ' ' HA ' ' A' ' 106' ' ' LYS . 17.6 p80 -152.2 -178.3 6.71 Favored 'General case' 0 C--N 1.31 -1.139 0 CA-C-N 115.576 -0.738 . . . . 1.51 110.045 -174.434 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.425 ' H ' HG11 ' A' ' 107' ' ' VAL . 39.2 ttpt -73.42 141.38 46.94 Favored 'General case' 0 C--N 1.32 -0.7 0 O-C-N 123.535 0.522 . . . . 1.95 109.762 179.652 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.4 ' HA ' ' O ' ' A' ' 103' ' ' THR . 49.0 mt -138.96 118.36 13.89 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.033 0 CA-C-N 115.834 -0.621 . . . . 1.19 109.939 176.535 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.449 ' HA ' ' HA ' ' A' ' 77' ' ' GLU . 11.0 m -108.04 137.96 45.13 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.557 -0.747 . . . . 1.12 110.959 -176.232 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 32.4 m-85 -113.15 143.01 45.1 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 108.921 -0.77 . . . . 0.81 108.921 176.037 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -165.58 153.03 10.59 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 120.63 0.253 . . . . 1.69 110.34 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.407 ' HB2' ' HB2' ' A' ' 1' ' ' LYS . 1.9 mm? -95.73 114.32 26.04 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.349 0.595 . . . . 1.81 109.481 176.796 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 52.0 tttm -86.26 -47.48 9.38 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.328 -0.851 . . . . 3.48 109.712 -174.119 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -134.37 167.53 22.38 Favored Pre-proline 0 C--N 1.318 -0.774 0 N-CA-C 108.107 -1.071 . . . . 1.79 108.107 176.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_exo -65.39 -0.97 4.03 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.73 2.287 . . . . 1.07 112.35 -177.665 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 66.6 t30 -143.21 33.14 1.34 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.844 -0.616 . . . . 2.63 109.796 177.795 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 68.4 m -154.57 111.8 3.38 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-O 121.098 0.475 . . . . 1.26 112.012 179.666 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 1.3 tt -95.11 133.52 38.84 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.439 -0.948 . . . . 1.78 108.439 174.199 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 10.6 p -109.4 128.73 55.36 Favored 'General case' 0 C--N 1.323 -0.583 0 O-C-N 121.271 -0.893 . . . . 1.11 111.464 179.79 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 48.7 tt0 -112.32 103.24 11.36 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.457 -0.792 . . . . 1.31 109.331 176.283 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' THR . . . . . 0.4 ' O ' ' HA ' ' A' ' 90' ' ' ILE . 24.8 m -97.58 112.08 24.09 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.109 0.481 . . . . 1.12 111.059 -173.722 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . 0.428 ' HB3' ' CE1' ' A' ' 88' ' ' HIS . 16.1 m170 -92.19 98.03 11.27 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.054 -0.521 . . . . 2.22 110.139 178.102 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.546 ' O ' ' HB2' ' A' ' 88' ' ' HIS . 10.5 mt -100.59 109.89 26.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-O 121.322 0.582 . . . . 1.36 111.327 177.321 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.554 ' HA ' ' CB ' ' A' ' 88' ' ' HIS . 96.9 mttt -63.48 114.36 3.85 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 114.998 -1.001 . . . . 2.12 110.839 177.406 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.425 HG11 ' H ' ' A' ' 89' ' ' LYS . 17.3 m -61.51 -22.13 27.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.102 -0.954 . . . . 2.03 111.35 178.484 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . 0.533 ' OD2' ' HB3' ' A' ' 106' ' ' LYS . 10.6 p-10 -81.12 -44.09 18.44 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.935 -0.575 . . . . 2.5 110.427 178.426 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -141.7 93.62 7.6 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.256 0.551 . . . . 2.39 110.577 175.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -73.22 6.53 2.56 Favored 'Trans proline' 0 N--CA 1.464 -0.254 0 C-N-CA 123.467 2.778 . . . . 0.91 112.438 -179.278 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 30.6 p -94.61 -13.99 25.4 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.399 0.619 . . . . 1.91 110.197 173.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -110.37 43.67 1.36 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.418 -0.81 . . . . 1.59 109.33 -179.247 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.468 HG12 ' HA ' ' A' ' 105' ' ' ILE . 22.9 m -79.61 179.72 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.564 -0.744 . . . . 2.17 111.874 -178.58 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.443 ' HB2' ' NH1' ' A' ' 26' ' ' ARG . 8.0 tp10 -160.09 154.47 23.7 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.811 -0.631 . . . . 2.78 109.682 175.712 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 23.3 m -136.17 133.08 36.78 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.082 0.468 . . . . 1.18 111.086 -178.49 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 13.6 m-30 -98.92 154.37 18.1 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 107.725 -1.213 . . . . 1.49 107.725 173.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . 0.491 ' HB2' ' HB3' ' A' ' 128' ' ' LYS . 33.7 mt-10 -131.88 113.54 13.58 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.245 -1.02 . . . . 1.53 108.245 175.276 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 83.7 m-85 -89.84 103.32 15.98 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-O 121.226 0.536 . . . . 1.0 110.384 -178.635 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 12.4 ttp180 -111.74 142.77 43.66 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.277 -0.874 . . . . 3.96 109.27 178.744 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 8.6 tpt180 -96.2 135.46 37.98 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 109.618 -0.512 . . . . 2.25 109.618 -179.642 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -131.35 86.19 2.33 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.395 0.616 . . . . 1.08 109.876 175.798 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 70.02 -112.18 4.24 Favored Glycine 0 N--CA 1.443 -0.873 0 CA-C-N 115.327 -0.852 . . . . 1.04 112.284 179.35 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -96.29 3.45 53.01 Favored 'General case' 0 C--N 1.323 -0.586 0 O-C-N 122.791 -0.241 . . . . 2.31 110.976 -177.404 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 94.9 m-85 -119.82 144.68 47.21 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.158 0.504 . . . . 1.17 111.568 -178.493 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -96.94 125.91 41.7 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 107.152 -1.425 . . . . 1.66 107.152 172.332 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 59.4 t -116.69 127.18 74.37 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.831 0 CA-C-O 121.259 0.552 . . . . 1.1 110.658 -170.567 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' MET . . . . . 0.467 ' HB3' ' HB2' ' A' ' 138' ' ' ARG . 20.0 ttm -97.97 143.29 28.69 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 115.464 -0.789 . . . . 1.4 110.351 177.391 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . 0.491 ' HB3' ' HB2' ' A' ' 117' ' ' GLU . 5.4 tppp? -119.15 126.61 52.0 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 109.33 -0.618 . . . . 2.68 109.33 174.498 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' MET . . . . . 0.492 ' HE3' ' CE1' ' A' ' 22' ' ' TYR . 59.9 mtp -128.44 135.59 49.69 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 107.816 -1.179 . . . . 1.66 107.816 174.018 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 3.4 p -146.43 122.58 10.82 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 121.231 0.539 . . . . 1.5 111.954 -177.017 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' TRP . . . . . 0.631 ' CD1' ' HG2' ' A' ' 132' ' ' LYS . 64.2 t-105 -139.82 132.72 29.28 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.092 -0.958 . . . . 0.88 109.45 179.33 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . 0.631 ' HG2' ' CD1' ' A' ' 131' ' ' TRP . 75.5 mmtt 57.38 34.37 24.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.697 -0.683 . . . . 2.42 110.882 -177.424 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 75.99 5.61 80.6 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.873 -0.68 . . . . 0.53 113.539 179.679 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 51.4 t -101.97 107.3 21.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 N-CA-C 110.043 -0.355 . . . . 1.13 110.043 177.527 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 8.2 m -95.61 153.19 17.84 Favored 'General case' 0 N--CA 1.436 -1.158 0 CA-C-O 121.28 0.562 . . . . 1.64 111.194 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' THR . . . . . 0.487 ' CG2' ' HB2' ' A' ' 129' ' ' MET . 2.9 t -137.12 136.62 38.46 Favored 'General case' 0 C--N 1.313 -1.015 0 CA-C-N 115.286 -0.87 . . . . 1.1 109.833 174.537 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 38.3 m -107.86 114.8 29.01 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.179 0.514 . . . . 1.06 109.877 177.628 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . 0.506 HH11 ' HG3' ' A' ' 138' ' ' ARG . 7.9 mmm-85 -98.46 113.4 25.38 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 108.846 -0.798 . . . . 2.41 108.846 -179.274 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 94.9 m-85 -94.01 112.58 24.43 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.111 0.482 . . . . 1.03 111.078 -174.801 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 140' ' ' TYR . . . . . 0.422 ' HA ' ' HA ' ' A' ' 13' ' ' LEU . 74.1 m-85 -105.5 130.76 53.5 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.505 -0.77 . . . . 0.92 109.789 178.044 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . 0.45 ' HG3' ' O ' ' A' ' 142' ' ' LYS . 10.5 ptmt -98.18 164.52 12.29 Favored 'General case' 0 C--N 1.313 -0.994 0 N-CA-C 107.181 -1.414 . . . . 2.41 107.181 171.81 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . 0.45 ' O ' ' HG3' ' A' ' 141' ' ' LYS . 21.5 tptm -54.11 171.9 0.1 Allowed 'General case' 0 C--N 1.314 -0.956 0 CA-C-O 121.452 0.644 . . . . 2.59 111.207 172.884 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . 0.64 ' NE2' ' HB3' ' A' ' 12' ' ' LYS . 60.7 mm-40 . . . . . 0 C--O 1.248 0.98 0 O-C-N 121.252 -0.905 . . . . 1.74 109.807 158.58 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1001 ' ' OLA . . . . . 0.629 ' H9 ' ' HA ' ' A' ' 36' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' -11' ' ' MET . . . . . . . . . . . . . 60.6 ttp . . . . . 0 N--CA 1.481 1.118 0 CA-C-O 120.762 0.315 . . . . 14.72 110.972 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' -10' ' ' ARG . . . . . . . . . . . . . 39.1 mmt180 -90.37 72.72 7.05 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.884 0.373 . . . . 16.38 110.972 -177.705 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' -9' ' ' GLY . . . . . . . . . . . . . . . 134.38 119.29 1.95 Allowed Glycine 0 N--CA 1.445 -0.75 0 C-N-CA 120.435 -0.888 . . . . 12.05 112.562 177.795 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' -8' ' ' SER . . . . . . . . . . . . . 38.4 t -161.26 138.73 9.04 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.942 0.401 . . . . 11.72 109.949 177.328 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' -7' ' ' HIS . . . . . . . . . . . . . 14.3 t60 -86.06 -6.0 59.11 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.313 -0.625 . . . . 12.39 109.313 178.277 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' -6' ' ' HIS . . . . . . . . . . . . . 74.4 m-70 -92.12 117.83 30.23 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.595 -0.73 . . . . 11.6 110.009 -179.417 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' -5' ' ' HIS . . . . . 0.518 ' O ' ' HA2' ' A' ' -1' ' ' GLY . 1.3 p80 -145.31 79.28 1.58 Allowed 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.485 0.659 . . . . 9.98 110.712 -177.057 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' -4' ' ' HIS . . . . . . . . . . . . . 30.3 m-70 -104.56 -169.87 1.68 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.729 -0.669 . . . . 11.3 109.978 178.321 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' -3' ' ' HIS . . . . . . . . . . . . . 81.3 m-70 68.91 -70.74 0.13 Allowed 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 123.039 0.536 . . . . 9.34 110.561 -178.697 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 66.0 m-70 -90.65 -37.4 13.79 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.791 -0.448 . . . . 7.77 109.791 175.533 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' -1' ' ' GLY . . . . . 0.518 ' HA2' ' O ' ' A' ' -5' ' ' HIS . . . 66.46 59.66 7.04 Favored Glycine 0 N--CA 1.444 -0.772 0 N-CA-C 110.812 -0.915 . . . . 3.92 110.812 -174.504 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 8.8 m 72.02 150.4 0.1 Allowed 'General case' 0 C--N 1.329 -0.32 0 O-C-N 124.671 0.865 . . . . 3.42 110.237 -175.664 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . 0.495 ' O ' HD12 ' A' ' 74' ' ' LEU . 26.9 mtpp -81.85 93.53 6.89 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 108.582 -0.895 . . . . 3.45 108.582 172.646 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.9 m -59.79 130.18 45.54 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.803 0.335 . . . . 1.44 110.263 -172.591 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.411 ' CD2' ' HD2' ' A' ' 4' ' ' PRO . 0.4 OUTLIER -58.73 120.46 45.96 Favored Pre-proline 0 C--N 1.324 -0.508 0 CA-C-N 115.589 -0.732 . . . . 1.33 110.772 -176.746 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.411 ' HD2' ' CD2' ' A' ' 3' ' ' LEU . 76.8 Cg_exo -51.8 119.92 6.34 Favored 'Trans proline' 0 N--CA 1.461 -0.385 0 C-N-CA 122.774 2.316 . . . . 0.81 111.667 173.51 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -51.64 -27.33 11.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.528 -0.76 . . . . 2.19 111.967 -179.356 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 44.6 mmtm -56.61 -30.78 63.62 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.045 0.387 . . . . 3.1 112.045 176.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -84.49 -8.98 58.76 Favored 'General case' 0 C--O 1.225 -0.212 0 O-C-N 122.08 -0.388 . . . . 0.74 110.792 -177.561 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 91.4 mt -92.89 133.9 35.63 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.112 0.482 . . . . 1.12 111.125 -170.398 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 149.0 175.08 21.14 Favored Glycine 0 N--CA 1.446 -0.675 0 CA-C-N 115.358 -0.837 . . . . 0.52 111.986 -179.342 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 4.6 m -111.47 115.45 29.24 Favored 'General case' 0 N--CA 1.446 -0.657 0 N-CA-C 109.187 -0.671 . . . . 1.62 109.187 177.352 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 61.1 m-85 -115.3 131.2 57.0 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 112.9 0.704 . . . . 0.57 112.9 -169.242 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.463 ' HG2' ' CD ' ' A' ' 143' ' ' GLN . 18.5 mmtp -82.42 128.08 33.91 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 115.878 -0.601 . . . . 2.65 110.893 167.304 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.5 tt -55.41 121.79 9.76 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.309 -0.405 . . . . 1.79 110.035 171.466 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -93.29 -54.64 3.61 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-O 120.645 0.26 . . . . 2.08 110.764 179.588 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 5.8 ptp180 -159.05 178.84 9.62 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 120.888 0.375 . . . . 3.92 111.495 -175.127 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -145.62 155.01 42.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.708 -0.678 . . . . 1.19 110.073 177.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -95.47 -51.83 4.4 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.584 0.587 . . . . 2.66 112.584 -175.206 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -146.83 52.39 1.1 Allowed 'General case' 0 C--O 1.238 0.463 0 CA-C-O 121.96 0.886 . . . . 0.97 110.517 -176.511 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.479 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 11.0 t80 -77.5 -36.14 52.9 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.244 -0.889 . . . . 0.64 110.974 -172.738 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -57.08 -57.41 12.7 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.531 -0.304 . . . . 2.04 111.486 178.502 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -59.11 -36.67 75.57 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.772 -0.194 . . . . 1.79 111.271 178.479 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.554 ' O ' ' HB2' ' A' ' 26' ' ' ARG . 78.3 t80 -56.24 -41.07 75.14 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.894 0.378 . . . . 1.12 110.262 175.308 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.479 ' HG ' ' O ' ' A' ' 19' ' ' PHE . 96.0 mt -68.0 -38.78 83.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.049 -0.523 . . . . 1.13 110.724 -179.063 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 39.4 mttp -63.47 -52.49 61.13 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-O 121.071 0.462 . . . . 2.43 110.302 178.204 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.06 -37.71 80.69 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.708 -0.678 . . . . 1.2 111.13 178.715 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.554 ' HB2' ' O ' ' A' ' 22' ' ' TYR . 0.3 OUTLIER -65.84 -13.39 59.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.845 -0.616 . . . . 1.71 110.942 -178.552 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 93.7 20.8 30.5 Favored Glycine 0 N--CA 1.447 -0.584 0 C-N-CA 120.628 -0.796 . . . . 0.62 112.717 179.459 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 60.5 m-85 -93.21 125.26 37.71 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.995 0.426 . . . . 0.99 110.283 177.099 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -78.41 -178.27 49.54 Favored Glycine 0 N--CA 1.443 -0.853 0 C-N-CA 120.685 -0.769 . . . . 1.54 111.688 -177.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.483 ' O ' ' HG2' ' A' ' 34' ' ' GLN . 88.2 t90 -50.64 -49.33 57.18 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 122.536 0.334 . . . . 1.31 111.717 -176.88 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 1.9 mm -56.4 -56.79 11.66 Favored 'Isoleucine or valine' 0 C--O 1.232 0.142 0 N-CA-C 111.881 0.326 . . . . 2.68 111.881 -178.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.428 ' CE ' H121 ' A' 1001 ' ' OLA . 66.1 mmm -60.84 -37.43 82.04 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.672 0.272 . . . . 1.16 110.924 179.58 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.417 HH11 ' HD3' ' A' ' 33' ' ' ARG . 39.9 ttp-105 -69.4 -20.53 63.81 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.117 -0.492 . . . . 2.48 110.425 -178.483 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.483 ' HG2' ' O ' ' A' ' 30' ' ' TRP . 27.4 mm-40 -83.43 -34.7 25.41 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.194 -0.457 . . . . 2.4 110.455 175.402 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.401 HG11 ' HE3' ' A' ' 64' ' ' LYS . 75.0 t -76.59 -67.49 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-O 121.179 0.514 . . . . 1.33 111.101 -179.555 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.628 ' HA ' ' H9 ' ' A' 1001 ' ' OLA . 97.0 mt -38.59 -58.75 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 N-CA-C 114.962 1.467 . . . . 1.25 114.962 -176.519 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 60.4 pttt -84.1 0.03 50.03 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.098 -0.641 . . . . 1.62 112.052 -170.82 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.535 ' C ' HD12 ' A' ' 38' ' ' LEU . 1.1 tm? -93.43 -37.13 12.13 Favored 'General case' 0 N--CA 1.442 -0.836 0 N-CA-C 109.149 -0.685 . . . . 2.6 109.149 178.31 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -59.55 124.89 21.52 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 115.481 -0.781 . . . . 1.15 111.472 -179.57 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.492 ' O ' ' HA ' ' A' ' 62' ' ' THR . . . -68.96 139.52 32.88 Favored Glycine 0 N--CA 1.446 -0.643 0 N-CA-C 110.847 -0.901 . . . . 0.84 110.847 174.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 54.5 t -122.85 127.31 74.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-O 121.28 0.562 . . . . 1.88 111.427 -174.329 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.423 ' HB ' ' HB3' ' A' ' 61' ' ' LEU . 44.3 m -106.0 106.18 16.57 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.307 -0.86 . . . . 1.13 110.111 174.547 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.525 ' HZ3' ' C1 ' ' A' 1001 ' ' OLA . 36.5 mmtm -81.42 122.11 27.09 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.327 -0.62 . . . . 1.45 109.327 175.176 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -129.8 117.06 19.64 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-O 120.834 0.35 . . . . 2.46 111.076 -172.768 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 58.5 m-85 -122.61 130.7 53.29 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.016 -0.538 . . . . 0.63 109.722 178.286 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.467 ' HG3' ' HB3' ' A' ' 57' ' ' ASP . 35.2 ptt180 -156.94 172.56 18.45 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.87 0.367 . . . . 3.72 111.231 -179.402 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.435 ' HA ' ' CD2' ' A' ' 56' ' ' TYR . 13.3 m120 -63.02 159.78 16.41 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.59 -0.732 . . . . 1.9 109.102 170.595 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -53.16 142.93 19.24 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 118.162 0.437 . . . . 1.18 111.906 -177.326 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -45.02 -60.47 2.06 Favored 'General case' 0 C--O 1.237 0.402 0 O-C-N 123.834 0.708 . . . . 1.94 112.833 -175.305 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 66.5 m -58.67 -42.44 88.44 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.489 0.661 . . . . 2.82 110.219 178.659 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 115.66 32.09 1.82 Allowed Glycine 0 N--CA 1.448 -0.502 0 CA-C-N 114.781 -1.099 . . . . 1.96 111.195 179.022 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 52.5 mtmt -87.19 127.69 58.24 Favored Pre-proline 0 C--N 1.322 -0.593 0 N-CA-C 109.501 -0.555 . . . . 3.54 109.501 -177.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.452 ' O ' ' HB2' ' A' ' 54' ' ' ASP . 26.3 Cg_endo -60.13 151.6 71.73 Favored 'Trans proline' 0 C--O 1.236 0.415 0 C-N-CA 123.032 2.488 . . . . 2.1 112.862 -175.908 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.452 ' HB2' ' O ' ' A' ' 53' ' ' PRO . 20.6 m-20 86.54 -58.8 0.05 Allowed 'General case' 0 CA--C 1.516 -0.334 0 O-C-N 124.689 1.243 . . . . 2.44 108.796 177.897 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.427 ' HD2' ' N ' ' A' ' 55' ' ' ARG . 4.7 mpt_? -68.38 137.86 54.89 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 114.892 -1.049 . . . . 4.72 112.111 177.316 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.435 ' CD2' ' HA ' ' A' ' 47' ' ' ASN . 43.6 m-85 -120.51 174.88 6.28 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.124 -0.943 . . . . 1.39 110.237 177.061 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.467 ' HB3' ' HG3' ' A' ' 46' ' ' ARG . 20.0 t70 -130.06 134.48 47.41 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.237 -0.653 . . . . 1.1 109.237 -177.673 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 1.6 tmt? -143.31 129.27 19.54 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.599 0.238 . . . . 1.22 110.397 -175.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -133.24 155.61 49.04 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.193 0.52 . . . . 1.77 111.876 -174.135 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.437 ' HB2' ' OG1' ' A' ' 67' ' ' THR . 54.0 m-80 -128.94 94.62 3.88 Favored 'General case' 0 CA--C 1.515 -0.366 0 CA-C-N 115.302 -0.863 . . . . 1.55 109.906 177.72 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.423 ' HB3' ' HB ' ' A' ' 42' ' ' THR . 63.1 tp -89.56 126.0 35.43 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 109.948 -0.39 . . . . 2.22 109.948 -179.876 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.492 ' HA ' ' O ' ' A' ' 40' ' ' GLY . 19.2 p -135.27 -174.17 3.54 Favored 'General case' 0 N--CA 1.451 -0.398 0 N-CA-C 109.736 -0.468 . . . . 1.16 109.736 -178.847 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 18.4 p -91.8 -20.49 21.44 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.936 0.398 . . . . 1.14 110.953 -178.206 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.401 ' HE3' HG11 ' A' ' 35' ' ' VAL . 75.9 mmtt -107.94 -33.87 7.08 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.919 0.39 . . . . 2.64 111.167 -173.507 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.606 ' HG3' ' H ' ' A' ' 66' ' ' ASP . 22.3 tptp -139.27 -142.27 0.15 Allowed 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 109.331 -0.618 . . . . 2.34 109.331 -178.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.606 ' H ' ' HG3' ' A' ' 65' ' ' LYS . 15.2 t70 160.55 129.51 0.0 OUTLIER 'General case' 0 C--N 1.308 -1.227 0 O-C-N 124.406 1.067 . . . . 2.12 109.677 -168.245 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.486 HG23 ' O ' ' A' ' 81' ' ' GLU . 13.0 p -126.8 157.7 38.53 Favored 'General case' 0 C--N 1.314 -0.957 0 N-CA-C 108.584 -0.895 . . . . 1.17 108.584 168.442 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -152.85 80.88 1.21 Allowed 'General case' 0 C--N 1.314 -0.96 0 CA-C-O 121.835 0.826 . . . . 2.5 110.391 -176.818 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -67.1 87.15 0.15 Allowed 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 114.429 -1.26 . . . . 0.48 109.453 178.629 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -87.93 127.75 35.37 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 112.854 0.687 . . . . 2.79 112.854 -177.693 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 17.2 t70 62.43 67.83 0.7 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 114.81 -1.086 . . . . 2.07 110.959 170.241 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 68.2 p-90 -119.21 162.11 19.24 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.824 -0.626 . . . . 0.51 110.991 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -124.62 146.34 49.13 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.081 -0.711 . . . . 1.22 109.081 171.777 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.607 HD13 ' H ' ' A' ' 74' ' ' LEU . 0.0 OUTLIER -61.84 140.19 58.29 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.757 0.789 . . . . 2.28 110.122 173.3 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 84.23 7.92 84.38 Favored Glycine 0 N--CA 1.444 -0.778 0 CA-C-N 114.871 -1.059 . . . . 0.66 111.88 -170.203 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -117.29 125.46 51.12 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-O 121.354 0.597 . . . . 2.37 111.412 -178.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.452 ' HA ' ' HA ' ' A' ' 91' ' ' THR . 42.4 tt0 -89.86 127.87 36.08 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.013 -0.994 . . . . 1.4 110.401 173.346 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 21.0 p90 -133.3 154.29 50.83 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.932 -0.577 . . . . 0.69 110.537 -178.536 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -94.13 145.86 24.39 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 110.01 -0.367 . . . . 2.38 110.01 177.784 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 41.9 t0 -152.3 168.14 26.38 Favored 'General case' 0 C--O 1.248 0.977 0 N-CA-C 110.029 -0.36 . . . . 1.26 110.029 -176.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.561 ' HA ' ' NE2' ' A' ' 87' ' ' GLN . 10.0 pt-20 -85.13 88.83 7.51 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-O 121.807 0.813 . . . . 2.26 109.829 -178.769 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.555 ' HB1' ' OD1' ' A' ' 84' ' ' ASP . . . -48.31 146.96 2.52 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 113.893 -1.503 . . . . 1.61 114.298 -169.044 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.438 ' HA ' ' HG2' ' A' ' 65' ' ' LYS . 2.8 mm? -55.83 -36.67 67.75 Favored 'General case' 0 CA--C 1.517 -0.315 0 CA-C-N 115.32 -0.855 . . . . 1.98 108.754 170.545 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.555 ' OD1' ' HB1' ' A' ' 82' ' ' ALA . 6.2 p-10 -78.65 23.62 0.31 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 114.499 -1.228 . . . . 1.55 112.287 -177.752 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 48.0 m 61.44 29.04 18.27 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 115.748 -0.66 . . . . 1.68 112.532 170.038 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 71.8 p -128.67 -174.7 3.31 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.684 -0.487 . . . . 1.5 109.684 174.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.561 ' NE2' ' HA ' ' A' ' 81' ' ' GLU . 31.0 mm-40 -117.5 119.64 35.65 Favored 'General case' 0 C--N 1.31 -1.124 0 N-CA-C 108.011 -1.107 . . . . 1.88 108.011 172.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . 0.66 ' HB2' ' O ' ' A' ' 105' ' ' ILE . 20.7 p80 -153.33 169.43 23.11 Favored 'General case' 0 C--N 1.316 -0.858 0 C-N-CA 118.373 -1.331 . . . . 1.51 113.243 179.313 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 53.7 pttt -81.49 152.98 27.07 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 114.458 -1.246 . . . . 1.95 110.266 -174.366 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.437 HG12 ' CB ' ' A' ' 104' ' ' HIS . 67.6 mt -145.91 120.99 3.05 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 CA-C-N 115.18 -0.918 . . . . 1.19 110.077 -176.491 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.452 ' HA ' ' HA ' ' A' ' 77' ' ' GLU . 19.3 m -98.2 124.58 42.86 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-O 120.861 0.362 . . . . 1.12 110.367 175.28 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -102.12 124.08 47.09 Favored 'General case' 0 CA--C 1.506 -0.713 0 N-CA-C 108.157 -1.053 . . . . 0.81 108.157 174.387 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -143.3 138.37 29.49 Favored 'General case' 0 C--N 1.314 -0.949 0 C-N-CA 120.651 -0.419 . . . . 1.69 110.516 -171.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -87.34 116.23 25.29 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.281 -0.418 . . . . 1.81 109.915 176.269 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 53.6 tttm -89.92 -52.84 4.77 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.659 -0.7 . . . . 3.48 109.115 -176.739 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -133.98 165.4 36.96 Favored Pre-proline 0 C--N 1.32 -0.699 0 N-CA-C 107.895 -1.15 . . . . 1.79 107.895 174.677 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 13.2 Cg_exo -71.75 4.46 3.08 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.624 2.216 . . . . 1.07 111.312 178.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . 0.522 ' O ' ' HA ' ' A' ' 119' ' ' ARG . 5.1 t-20 -127.34 0.95 6.35 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.319 -0.855 . . . . 2.63 109.495 178.273 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 24.6 m -143.54 107.72 4.75 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-O 121.238 0.542 . . . . 1.26 112.039 -175.34 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.539 HD23 ' N ' ' A' ' 101' ' ' THR . 3.2 tt -91.77 143.39 26.58 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 107.386 -1.339 . . . . 1.78 107.386 172.59 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' THR . . . . . 0.539 ' N ' HD23 ' A' ' 100' ' ' LEU . 33.0 p -125.94 141.93 51.75 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 119.576 1.08 . . . . 1.11 112.476 -179.205 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.596 ' O ' ' HA ' ' A' ' 115' ' ' THR . 34.8 tt0 -112.05 109.76 19.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.418 -0.81 . . . . 1.31 109.695 172.703 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 54.3 m -103.22 101.43 11.37 Favored 'General case' 0 C--N 1.317 -0.808 0 N-CA-C 108.978 -0.749 . . . . 1.12 108.978 175.612 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . 0.437 ' CB ' HG12 ' A' ' 90' ' ' ILE . 0.8 OUTLIER -111.58 135.91 51.51 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-O 121.14 0.495 . . . . 2.22 110.714 -174.736 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.66 ' O ' ' HB2' ' A' ' 88' ' ' HIS . 48.7 mt -137.44 137.88 45.44 Favored 'Isoleucine or valine' 0 C--O 1.233 0.214 0 CA-C-N 115.231 -0.895 . . . . 1.36 111.278 -172.615 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.549 ' HB2' ' O ' ' A' ' 109' ' ' ASP . 34.1 mmtm -59.39 123.82 18.01 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.975 -0.557 . . . . 2.12 111.866 174.255 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.464 HG12 ' HA ' ' A' ' 88' ' ' HIS . 19.2 m -68.61 -27.97 38.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 115.832 -0.622 . . . . 2.03 110.209 171.559 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -72.16 -67.78 0.52 Allowed 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.356 -0.838 . . . . 2.5 109.97 177.626 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . 0.549 ' O ' ' HB2' ' A' ' 106' ' ' LYS . 6.8 p-10 -124.19 93.16 47.23 Favored Pre-proline 0 C--N 1.323 -0.571 0 CA-C-N 115.307 -0.86 . . . . 2.39 110.128 178.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . 0.438 ' HD2' ' HA ' ' A' ' 109' ' ' ASP . 51.4 Cg_endo -67.0 14.26 0.13 Allowed 'Trans proline' 0 C--O 1.233 0.247 0 C-N-CA 123.871 3.047 . . . . 0.91 113.865 -175.669 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' THR . . . . . 0.41 ' H ' ' C ' ' A' ' 109' ' ' ASP . 32.3 p -76.49 -22.5 54.43 Favored 'General case' 0 N--CA 1.443 -0.812 0 N-CA-C 109.427 -0.583 . . . . 1.91 109.427 172.225 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . 0.534 ' HB3' ' CG ' ' A' ' 106' ' ' LYS . 38.1 t70 -78.9 92.06 4.85 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.454 -0.794 . . . . 1.59 109.635 172.625 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.474 HG11 HG12 ' A' ' 105' ' ' ILE . 0.0 OUTLIER -117.16 124.35 72.91 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.608 0 CA-C-N 115.595 -0.729 . . . . 2.17 111.024 -178.983 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.415 ' HB3' ' CD2' ' A' ' 104' ' ' HIS . 40.8 tt0 -147.87 147.11 29.41 Favored 'General case' 0 C--N 1.317 -0.828 0 C-N-CA 120.144 -0.622 . . . . 2.78 111.578 -177.01 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' THR . . . . . 0.596 ' HA ' ' O ' ' A' ' 102' ' ' GLU . 31.6 m -135.52 127.24 29.12 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 115.848 -0.615 . . . . 1.18 110.986 -179.648 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' TYR . . . . . 0.598 ' CE1' ' HE1' ' A' ' 129' ' ' MET . 18.6 m-85 -106.18 155.26 19.63 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 107.204 -1.406 . . . . 1.49 107.204 171.552 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . 0.446 ' HG2' HG21 ' A' ' 101' ' ' THR . 26.3 mt-10 -130.04 130.7 45.27 Favored 'General case' 0 N--CA 1.447 -0.596 0 N-CA-C 108.589 -0.893 . . . . 1.53 108.589 -175.742 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 50.8 m-85 -101.86 103.27 13.95 Favored 'General case' 0 C--N 1.316 -0.854 0 N-CA-C 109.814 -0.439 . . . . 1.0 109.814 -179.619 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . 0.522 ' HA ' ' O ' ' A' ' 98' ' ' ASN . 69.1 mtp85 -102.57 157.06 17.2 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.955 -0.566 . . . . 3.96 110.151 179.394 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . 0.651 ' NH2' ' HA ' ' A' ' 123' ' ' ASP . 6.4 mmm180 -117.65 118.26 31.61 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 120.949 0.404 . . . . 2.25 111.995 178.043 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -132.06 118.91 20.29 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.551 -0.75 . . . . 1.08 109.883 175.098 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 70.2 -116.57 6.77 Favored Glycine 0 N--CA 1.447 -0.567 0 N-CA-C 110.792 -0.923 . . . . 1.04 110.792 -174.575 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . 0.651 ' HA ' ' NH2' ' A' ' 120' ' ' ARG . 28.3 t70 -121.73 19.28 11.08 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.625 0.726 . . . . 2.31 109.515 172.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . 0.665 ' CE2' ' HB3' ' A' ' 141' ' ' LYS . 88.5 m-85 -102.75 133.77 47.25 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.635 -0.711 . . . . 1.17 111.073 -178.156 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.431 ' HB3' ' HB2' ' A' ' 140' ' ' TYR . 3.1 tm? -81.49 111.48 17.85 Favored 'General case' 0 N--CA 1.445 -0.715 0 N-CA-C 107.162 -1.421 . . . . 1.66 107.162 171.05 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 46.8 t -101.19 108.36 23.23 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.862 0 CA-C-O 121.046 0.451 . . . . 1.1 110.213 -171.226 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' MET . . . . . . . . . . . . . 10.3 ttm -81.43 123.96 29.03 Favored 'General case' 0 C--N 1.313 -0.983 0 CA-C-N 115.743 -0.662 . . . . 1.4 110.008 176.669 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 22.4 tptm -117.22 128.05 54.71 Favored 'General case' 0 C--N 1.315 -0.903 0 N-CA-C 108.703 -0.851 . . . . 2.68 108.703 178.424 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' MET . . . . . 0.598 ' HE1' ' CE1' ' A' ' 116' ' ' TYR . 7.2 ptm -150.1 135.54 18.17 Favored 'General case' 0 C--N 1.311 -1.077 0 N-CA-C 109.231 -0.655 . . . . 1.66 109.231 -175.478 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 1.8 m -140.77 136.92 32.99 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 120.905 0.383 . . . . 1.5 111.012 -176.818 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' TRP . . . . . 0.593 ' CD1' ' HD3' ' A' ' 132' ' ' LYS . 33.0 t-105 -141.32 125.33 17.2 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.892 -0.595 . . . . 0.88 110.09 -178.119 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . 0.593 ' HD3' ' CD1' ' A' ' 131' ' ' TRP . 13.9 mptt 48.9 45.19 22.48 Favored 'General case' 0 C--N 1.33 -0.283 0 O-C-N 123.695 0.622 . . . . 2.42 112.051 -179.118 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 82.65 -7.22 66.12 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.941 -0.647 . . . . 0.53 113.604 177.581 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 16.5 t -94.34 104.68 16.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 117.353 0.576 . . . . 1.13 110.055 178.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 1.3 m -99.46 150.22 22.41 Favored 'General case' 0 N--CA 1.441 -0.892 0 CA-C-N 116.019 -0.537 . . . . 1.64 110.684 -179.541 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 5.8 t -152.19 143.47 23.28 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.881 -0.6 . . . . 1.1 111.013 176.696 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 37.9 m -110.3 125.78 53.52 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.6 -0.727 . . . . 1.06 110.182 174.218 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 9.2 mtm180 -107.78 114.94 29.26 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.028 -0.73 . . . . 2.41 109.028 175.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 91.2 m-85 -91.47 121.03 32.81 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.124 -0.489 . . . . 1.03 111.344 -173.129 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 140' ' ' TYR . . . . . 0.431 ' HB2' ' HB3' ' A' ' 125' ' ' LEU . 61.0 m-85 -111.6 137.04 49.98 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.405 -0.816 . . . . 0.92 110.111 178.037 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . 0.665 ' HB3' ' CE2' ' A' ' 124' ' ' TYR . 0.0 OUTLIER -120.7 165.09 15.57 Favored 'General case' 0 C--O 1.208 -1.104 0 N-CA-C 107.755 -1.202 . . . . 2.41 107.755 174.024 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 60.0 mttp -49.13 164.47 0.07 Allowed 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 119.033 0.833 . . . . 2.59 112.685 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . 0.463 ' CD ' ' HG2' ' A' ' 12' ' ' LYS . 46.8 mm-40 . . . . . 0 C--O 1.25 1.095 0 O-C-N 121.299 -0.876 . . . . 1.74 110.495 165.748 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1001 ' ' OLA . . . . . 0.628 ' H9 ' ' HA ' ' A' ' 36' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' -11' ' ' MET . . . . . . . . . . . . . 26.1 mmt . . . . . 0 N--CA 1.481 1.1 0 CA-C-O 120.742 0.306 . . . . 14.72 110.183 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' -10' ' ' ARG . . . . . . . . . . . . . 77.5 mtp180 -120.17 -6.95 9.9 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.909 0.385 . . . . 16.38 111.069 -178.384 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' -9' ' ' GLY . . . . . . . . . . . . . . . 84.1 10.65 80.18 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.945 -0.645 . . . . 12.05 112.731 178.391 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' -8' ' ' SER . . . . . . . . . . . . . 20.0 m -91.22 -49.63 6.27 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.632 0.253 . . . . 11.72 111.273 -177.063 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' -7' ' ' HIS . . . . . . . . . . . . . 14.1 p-80 -112.94 150.41 31.88 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 120.964 -0.295 . . . . 12.39 110.556 -178.714 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' -6' ' ' HIS . . . . . . . . . . . . . 37.8 t-80 58.58 44.57 17.46 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 121.502 0.668 . . . . 11.6 109.744 179.802 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' -5' ' ' HIS . . . . . . . . . . . . . 13.9 p-80 -104.63 -7.01 19.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.771 -0.65 . . . . 9.98 111.87 -174.045 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' -4' ' ' HIS . . . . . . . . . . . . . 8.8 p80 -71.13 -23.98 62.19 Favored 'General case' 0 N--CA 1.464 0.23 0 C-N-CA 120.61 -0.436 . . . . 11.3 110.089 179.389 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' -3' ' ' HIS . . . . . . . . . . . . . 60.3 m-70 -150.24 97.43 2.55 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.817 -0.629 . . . . 9.34 109.477 172.156 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 15.6 t-80 -89.39 54.15 2.84 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.37 0.605 . . . . 7.77 110.422 -176.101 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 88.5 153.33 26.43 Favored Glycine 0 N--CA 1.447 -0.623 0 C-N-CA 120.912 -0.661 . . . . 3.92 112.201 -179.421 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 14.3 m -92.76 128.87 38.78 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 120.684 0.278 . . . . 3.42 110.614 -179.59 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . 0.419 ' O ' HD12 ' A' ' 74' ' ' LEU . 28.7 mtpp -70.67 118.75 13.87 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 108.948 -0.76 . . . . 3.45 108.948 172.104 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.3 m -66.05 125.86 26.79 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 109.596 -0.52 . . . . 1.44 109.596 -177.702 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.494 ' HB2' ' CE1' ' A' ' 56' ' ' TYR . 0.4 OUTLIER -57.3 120.89 43.41 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-N 116.062 -0.517 . . . . 1.33 110.817 -176.655 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.428 ' HD2' HD22 ' A' ' 3' ' ' LEU . 44.0 Cg_exo -56.18 123.81 14.75 Favored 'Trans proline' 0 N--CA 1.459 -0.512 0 C-N-CA 122.666 2.244 . . . . 0.81 111.015 174.293 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -53.04 -21.97 5.26 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.819 -0.628 . . . . 2.19 112.398 -178.374 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 52.2 mtmt -52.42 -32.22 38.16 Favored 'General case' 0 CA--C 1.532 0.255 0 N-CA-C 112.042 0.386 . . . . 3.1 112.042 176.317 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 30.3 m-85 -92.55 -2.12 56.42 Favored 'General case' 0 C--N 1.331 -0.21 0 O-C-N 122.2 -0.313 . . . . 0.74 111.743 -175.501 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 89.8 mt -95.19 142.08 28.04 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.071 0.462 . . . . 1.12 111.413 -170.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 136.38 174.78 13.49 Favored Glycine 0 N--CA 1.448 -0.558 0 CA-C-N 115.47 -0.786 . . . . 0.52 112.126 179.613 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.465 HG22 ' HG2' ' A' ' 44' ' ' LYS . 52.7 m -102.97 120.39 40.56 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.843 -0.429 . . . . 1.62 109.843 175.699 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.43 ' HA ' ' HA ' ' A' ' 142' ' ' LYS . 23.9 m-85 -118.82 135.27 54.63 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.953 -0.112 . . . . 0.57 111.29 -175.438 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.587 ' HD3' ' O ' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -94.49 139.8 30.67 Favored 'General case' 0 C--O 1.235 0.312 0 C-N-CA 120.247 -0.581 . . . . 2.65 110.551 169.375 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.0 tt -55.75 112.64 1.21 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.03 -0.532 . . . . 1.79 110.895 174.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -78.58 -52.13 8.92 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.675 -0.491 . . . . 2.08 109.675 179.238 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 28.7 ptt-85 -162.75 177.11 9.61 Favored 'General case' 0 C--O 1.234 0.266 0 N-CA-C 110.036 -0.357 . . . . 3.92 110.036 178.215 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -134.02 159.14 41.7 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.482 -0.326 . . . . 1.19 110.623 -177.436 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -141.38 117.42 10.57 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.363 -0.38 . . . . 2.66 110.246 179.642 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 42.2 t30 68.86 25.3 6.2 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-O 121.516 0.674 . . . . 0.97 110.951 176.422 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.598 ' CD1' ' HD2' ' A' ' 138' ' ' ARG . 19.5 t80 -76.02 -41.21 51.68 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.549 -0.75 . . . . 0.64 110.676 -176.116 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.423 ' O ' ' HG3' ' A' ' 24' ' ' LYS . 16.3 t70 -54.62 -52.0 63.6 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.979 0.419 . . . . 2.04 110.447 176.598 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 63.7 mm-40 -53.76 -43.25 69.02 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.574 -0.739 . . . . 1.79 111.449 177.195 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.577 ' CE1' ' HE1' ' A' ' 129' ' ' MET . 80.3 t80 -58.05 -41.28 82.96 Favored 'General case' 0 C--O 1.226 -0.161 0 CA-C-N 116.615 -0.266 . . . . 1.12 110.626 176.471 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.435 ' HG ' ' O ' ' A' ' 19' ' ' PHE . 90.0 mt -65.66 -41.02 93.01 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.821 0.343 . . . . 1.13 110.405 -178.242 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.423 ' HG3' ' O ' ' A' ' 20' ' ' ASP . 27.4 mtpp -61.72 -52.95 62.16 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.37 0.605 . . . . 2.43 109.825 177.561 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.87 -40.14 79.49 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 114.877 -1.056 . . . . 1.2 111.179 178.477 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 23.7 tpt85 -67.82 -19.52 65.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.714 -0.676 . . . . 1.71 111.184 -177.302 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 103.77 25.39 7.25 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.654 -0.784 . . . . 0.62 113.5 179.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 59.4 m-85 -99.28 127.27 45.26 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 117.159 0.479 . . . . 0.99 110.69 177.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.52 ' O ' ' HG3' ' A' ' 33' ' ' ARG . . . -75.4 178.65 47.2 Favored Glycine 0 N--CA 1.446 -0.644 0 CA-C-N 115.543 -0.753 . . . . 1.54 112.57 -179.558 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.54 ' O ' ' HG2' ' A' ' 34' ' ' GLN . 86.7 t90 -49.42 -51.29 36.33 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 122.91 0.484 . . . . 1.31 112.022 -175.296 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 1.3 mm -54.18 -53.79 26.19 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 N-CA-C 111.748 0.277 . . . . 2.68 111.748 -178.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.579 ' O ' HG13 ' A' ' 36' ' ' ILE . 69.2 mmm -57.98 -40.81 81.57 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.341 -0.39 . . . . 1.16 110.993 179.515 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.52 ' HG3' ' O ' ' A' ' 29' ' ' GLY . 59.8 mtm-85 -68.21 -15.98 63.79 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.766 0.317 . . . . 2.48 111.134 -179.071 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.54 ' HG2' ' O ' ' A' ' 30' ' ' TRP . 29.0 mm-40 -89.62 -17.8 27.75 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.838 0.351 . . . . 2.4 110.523 176.913 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 57.8 t -95.13 -63.8 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 121.071 0.462 . . . . 1.33 110.876 177.376 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.579 HG13 ' O ' ' A' ' 32' ' ' MET . 34.9 mt -45.72 -49.11 4.47 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.424 0 N-CA-C 114.447 1.277 . . . . 1.25 114.447 -174.442 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.471 ' HG3' HD23 ' A' ' 38' ' ' LEU . 64.6 pttt -85.28 -0.18 53.92 Favored 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 120.045 -0.662 . . . . 1.62 111.908 -173.507 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.514 HD22 ' O ' ' A' ' 34' ' ' GLN . 2.7 mm? -110.12 2.01 19.17 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.104 0.478 . . . . 2.6 110.343 176.909 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -85.31 123.52 30.88 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 115.876 -0.602 . . . . 1.15 110.25 178.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.594 ' O ' ' HA ' ' A' ' 62' ' ' THR . . . -66.46 130.53 31.79 Favored Glycine 0 N--CA 1.446 -0.672 0 N-CA-C 111.086 -0.806 . . . . 0.84 111.086 175.005 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 40.7 t -121.04 124.86 73.15 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-O 120.952 0.406 . . . . 1.88 110.578 -174.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 15.1 m -114.49 114.24 25.53 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.904 -0.589 . . . . 1.13 110.253 179.298 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.891 ' HZ1' ' HH ' ' A' ' 118' ' ' TYR . 73.8 mmtt -89.31 136.36 33.07 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.084 -0.507 . . . . 1.45 109.932 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.495 ' O ' ' HA ' ' A' ' 58' ' ' MET . 93.7 mttt -133.55 100.42 4.8 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.604 0.24 . . . . 2.46 111.27 -176.385 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 82.3 m-85 -105.37 129.69 53.64 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.716 -0.476 . . . . 0.63 109.716 175.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.418 ' HG3' ' O ' ' A' ' 47' ' ' ASN . 12.3 ptp180 -156.42 172.01 19.26 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 116.64 -0.255 . . . . 3.72 110.528 -178.847 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.418 ' O ' ' HG3' ' A' ' 46' ' ' ARG . 25.5 m-80 -65.5 152.57 43.7 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 108.571 -0.9 . . . . 1.9 108.571 169.173 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -53.82 134.19 42.48 Favored 'General case' 0 CA--C 1.519 -0.222 0 CA-C-O 121.376 0.608 . . . . 1.18 111.153 -176.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.7 -38.98 86.83 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 114.425 -1.261 . . . . 1.94 112.672 -167.733 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 32.5 t -83.37 16.96 2.28 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-O 121.341 0.591 . . . . 2.82 110.957 179.217 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 67.7 36.53 87.74 Favored Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.953 -0.642 . . . . 1.96 112.758 178.672 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.428 ' HZ3' ' CG ' ' A' ' 71' ' ' ASP . 95.8 mttt -82.22 121.78 78.9 Favored Pre-proline 0 C--N 1.324 -0.532 0 N-CA-C 109.995 -0.372 . . . . 3.54 109.995 177.377 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.465 ' O ' ' HB2' ' A' ' 54' ' ' ASP . 61.1 Cg_endo -70.66 141.17 40.94 Favored 'Trans proline' 0 C--O 1.236 0.376 0 C-N-CA 122.708 2.272 . . . . 2.1 112.007 -177.592 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.465 ' HB2' ' O ' ' A' ' 53' ' ' PRO . 16.1 m-20 79.78 -48.63 0.37 Allowed 'General case' 0 N--CA 1.469 0.523 0 O-C-N 124.091 0.87 . . . . 2.44 109.455 -178.764 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 15.7 mmt180 -60.26 136.0 57.9 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.352 -0.84 . . . . 4.72 111.911 172.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.494 ' CE1' ' HB2' ' A' ' 3' ' ' LEU . 47.4 m-85 -121.18 165.67 15.06 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.316 -0.856 . . . . 1.39 109.856 174.852 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -120.2 140.03 51.75 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 116.463 -0.335 . . . . 1.1 110.282 -176.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.562 ' HE3' ' OD1' ' A' ' 60' ' ' ASN . 9.9 tpt -137.36 135.2 36.8 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.253 -0.43 . . . . 1.22 110.244 -178.043 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.428 ' HB3' ' HB2' ' A' ' 44' ' ' LYS . 35.3 tt0 -133.08 137.08 46.25 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 121.03 0.443 . . . . 1.77 110.436 -179.89 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.631 ' HB2' ' OG1' ' A' ' 67' ' ' THR . 0.9 OUTLIER -117.62 90.29 3.3 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 108.454 -0.943 . . . . 1.55 108.454 -178.243 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 59.8 tp -90.44 139.52 30.6 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.388 -0.369 . . . . 2.22 110.358 -177.592 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.594 ' HA ' ' O ' ' A' ' 40' ' ' GLY . 49.3 p -138.4 -164.37 1.62 Allowed 'General case' 0 N--CA 1.445 -0.704 0 N-CA-C 109.342 -0.614 . . . . 1.16 109.342 177.699 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 64.0 p -94.44 -31.4 13.99 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-O 121.22 0.533 . . . . 1.14 110.772 179.167 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.411 ' HB2' ' H82' ' A' 1001 ' ' OLA . 72.2 mmtt -108.83 -11.01 15.08 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.622 -0.717 . . . . 2.64 111.794 -172.879 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.425 ' HG2' ' HA ' ' A' ' 83' ' ' LEU . 12.9 tptp -142.42 -152.99 0.44 Allowed 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 120.911 -0.316 . . . . 2.34 110.904 -177.643 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 15.2 t70 166.97 126.84 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.242 -0.89 . . . . 2.12 110.094 -169.528 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.631 ' OG1' ' HB2' ' A' ' 60' ' ' ASN . 35.4 p -139.68 148.86 42.97 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 109.459 -0.571 . . . . 1.17 109.459 175.217 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 9.8 t-160 -141.22 98.08 3.3 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 121.083 0.468 . . . . 2.5 109.846 -179.422 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 32.3 m-70 -76.9 85.46 3.46 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.702 -0.681 . . . . 0.48 109.467 178.719 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 25.0 mttp -71.76 116.08 11.72 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.539 -0.755 . . . . 2.79 112.564 -175.388 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.428 ' CG ' ' HZ3' ' A' ' 52' ' ' LYS . 4.4 p30 48.69 82.73 0.04 OUTLIER 'General case' 0 N--CA 1.472 0.632 0 CA-C-O 122.595 1.188 . . . . 2.07 113.276 174.103 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' TRP . . . . . 0.46 ' HE1' ' CB ' ' A' ' 58' ' ' MET . 64.1 p-90 -114.84 162.36 16.99 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 114.453 -1.248 . . . . 0.51 109.518 176.151 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.634 ' O ' ' HB3' ' A' ' 76' ' ' GLU . . . -126.32 151.24 47.82 Favored 'General case' 0 C--N 1.317 -0.812 0 N-CA-C 109.31 -0.626 . . . . 1.22 109.31 172.444 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.602 HD13 ' H ' ' A' ' 74' ' ' LEU . 0.0 OUTLIER -65.27 145.05 56.71 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.528 0.68 . . . . 2.28 110.11 172.241 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 82.01 -9.15 58.07 Favored Glycine 0 N--CA 1.446 -0.684 0 CA-C-N 115.068 -0.969 . . . . 0.66 111.983 -171.273 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.634 ' HB3' ' O ' ' A' ' 73' ' ' ALA . 7.6 tp10 -97.21 150.28 21.08 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.251 0.548 . . . . 2.37 110.663 -175.405 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -129.35 123.08 30.87 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.08 -0.963 . . . . 1.4 108.817 179.191 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 51.0 p90 -131.92 157.12 44.85 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 116.246 -0.433 . . . . 0.69 109.954 -176.154 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -92.23 142.26 27.67 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 109.224 -0.658 . . . . 2.38 109.224 176.702 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 34.0 t0 -164.02 162.61 23.28 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.263 -0.643 . . . . 1.26 109.263 -173.564 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.478 ' HA ' ' HA ' ' A' ' 87' ' ' GLN . 31.9 tt0 -98.75 114.77 27.44 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.522 0.677 . . . . 2.26 109.329 -179.727 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -82.91 174.07 11.25 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 114.636 -1.166 . . . . 1.61 112.055 -174.188 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.425 ' HA ' ' HG2' ' A' ' 65' ' ' LYS . 13.4 mt -64.7 -16.94 63.62 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.358 -0.837 . . . . 1.98 110.812 -179.661 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.499 ' HA ' H131 ' A' 1001 ' ' OLA . 6.2 p30 -77.83 8.85 4.04 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.452 -0.794 . . . . 1.55 112.067 179.398 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 14.5 m 73.7 3.18 4.45 Favored 'General case' 0 N--CA 1.465 0.281 0 C-N-CA 123.285 0.634 . . . . 1.68 112.345 174.689 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 16.6 p -119.38 160.62 21.95 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.749 0.309 . . . . 1.5 110.311 176.348 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.478 ' HA ' ' HA ' ' A' ' 81' ' ' GLU . 3.4 pt20 -114.49 129.52 56.67 Favored 'General case' 0 CA--C 1.507 -0.687 0 CA-C-O 121.608 0.718 . . . . 1.88 110.557 179.861 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . 0.595 ' CB ' ' HA ' ' A' ' 106' ' ' LYS . 4.1 p80 -149.39 175.11 11.75 Favored 'General case' 0 C--N 1.313 -0.994 0 CA-C-N 114.811 -1.086 . . . . 1.51 110.066 -174.065 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 15.2 pttp -79.09 139.99 37.95 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-O 121.324 0.583 . . . . 1.95 109.741 -176.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 64.8 mt -134.77 126.34 47.44 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.026 0 CA-C-N 115.142 -0.935 . . . . 1.19 110.329 -173.042 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 8.7 m -109.59 132.68 53.92 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 115.978 -0.555 . . . . 1.12 110.501 179.089 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -108.48 135.11 50.3 Favored 'General case' 0 C--N 1.317 -0.821 0 N-CA-C 108.014 -1.106 . . . . 0.81 108.014 171.691 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -155.06 142.01 19.17 Favored 'General case' 0 C--N 1.317 -0.833 0 C-N-CA 120.639 -0.424 . . . . 1.69 110.886 -176.527 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -87.56 116.51 25.73 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 109.303 -0.628 . . . . 1.81 109.303 175.12 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 40.2 ttpt -80.74 -43.94 19.43 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 108.444 -0.947 . . . . 3.48 108.444 -177.353 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -157.3 165.13 19.43 Favored Pre-proline 0 C--N 1.32 -0.686 0 N-CA-C 107.347 -1.353 . . . . 1.79 107.347 175.047 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -60.68 4.65 0.19 Allowed 'Trans proline' 0 CA--C 1.535 0.538 0 C-N-CA 123.184 2.589 . . . . 1.07 114.615 -175.591 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . 0.54 ' OD1' ' HB3' ' A' ' 120' ' ' ARG . 65.8 t30 -132.04 11.97 4.69 Favored 'General case' 0 C--N 1.329 -0.307 0 O-C-N 122.128 -0.358 . . . . 2.63 111.18 177.262 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 42.3 m -152.91 116.15 4.65 Favored 'General case' 0 CA--C 1.533 0.323 0 N-CA-C 112.911 0.708 . . . . 1.26 112.911 179.174 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -90.2 154.02 20.06 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 114.978 -1.01 . . . . 1.78 108.322 172.096 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' THR . . . . . 0.41 HG23 ' HG2' ' A' ' 117' ' ' GLU . 18.2 p -129.77 135.54 48.57 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 118.619 0.645 . . . . 1.11 111.296 175.565 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 65.0 tt0 -117.2 106.45 13.32 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.793 -0.64 . . . . 1.31 109.363 175.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 50.7 m -105.66 121.18 43.47 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.127 0.489 . . . . 1.12 111.164 -175.5 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . 0.509 ' HB3' ' CE1' ' A' ' 88' ' ' HIS . 9.8 m170 -104.03 117.2 33.72 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.906 -0.588 . . . . 2.22 109.908 179.41 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.538 ' O ' ' HB2' ' A' ' 88' ' ' HIS . 46.1 mt -118.9 119.1 59.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 121.111 0.481 . . . . 1.36 110.58 175.374 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.595 ' HA ' ' CB ' ' A' ' 88' ' ' HIS . 46.0 mtpt -64.61 124.55 22.17 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.473 -0.785 . . . . 2.12 111.968 -177.55 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.494 HG23 ' HA ' ' A' ' 88' ' ' HIS . 86.4 t -58.69 -35.49 55.69 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.63 0 CA-C-N 114.432 -1.258 . . . . 2.03 110.949 176.692 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . 0.513 ' OD2' ' HE2' ' A' ' 106' ' ' LYS . 18.3 p-10 -82.0 -42.75 18.92 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.346 -0.843 . . . . 2.5 110.613 -179.053 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . 0.568 ' O ' ' HB2' ' A' ' 106' ' ' LYS . 18.5 m-20 -135.29 89.7 22.58 Favored Pre-proline 0 CA--C 1.516 -0.337 0 CA-C-O 121.107 0.48 . . . . 2.39 110.897 176.546 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -70.67 1.07 5.41 Favored 'Trans proline' 0 C--N 1.332 -0.29 0 C-N-CA 123.292 2.661 . . . . 0.91 113.282 -176.519 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 37.4 p -81.32 -17.9 47.61 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.451 0.644 . . . . 1.91 109.606 176.477 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -88.72 49.95 1.88 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.267 -0.879 . . . . 1.59 110.072 179.353 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 2.3 p -71.83 114.5 10.51 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.032 0 CA-C-O 121.506 0.669 . . . . 2.17 111.513 -179.676 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -113.72 137.38 51.7 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.037 -0.983 . . . . 2.78 109.896 -176.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 27.5 m -135.4 129.76 33.82 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.256 0.55 . . . . 1.18 112.127 -177.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' TYR . . . . . 0.572 ' CE1' ' HE3' ' A' ' 129' ' ' MET . 4.7 m-30 -107.72 152.66 24.04 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 106.611 -1.625 . . . . 1.49 106.611 169.721 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . 0.461 ' O ' ' HA ' ' A' ' 127' ' ' MET . 35.4 mt-10 -130.18 131.7 45.72 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 119.278 0.945 . . . . 1.53 108.484 -178.282 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . 0.891 ' HH ' ' HZ1' ' A' ' 43' ' ' LYS . 99.1 m-85 -104.87 95.49 5.91 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 120.83 0.348 . . . . 1.0 110.837 -177.404 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.49 151.71 23.93 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 109.842 -0.429 . . . . 3.96 109.842 179.649 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . 0.54 ' HB3' ' OD1' ' A' ' 98' ' ' ASN . 21.3 tpt180 -99.14 133.01 44.04 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 120.826 0.346 . . . . 2.25 110.708 -176.857 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -121.33 76.75 1.26 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.021 -0.536 . . . . 1.08 109.661 177.541 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 64.93 -95.32 0.19 Allowed Glycine 0 N--CA 1.447 -0.6 0 CA-C-N 115.541 -0.754 . . . . 1.04 112.562 -179.44 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -102.17 -10.31 19.73 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.174 0.512 . . . . 2.31 110.664 -178.703 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . 0.449 ' CD2' ' HB3' ' A' ' 141' ' ' LYS . 95.1 m-85 -104.69 146.95 28.23 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.157 0.503 . . . . 1.17 111.597 -177.259 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -99.36 122.01 41.9 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 107.363 -1.347 . . . . 1.66 107.363 172.054 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 59.9 t -117.38 127.55 74.84 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-O 121.224 0.535 . . . . 1.1 110.63 -171.27 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' MET . . . . . 0.461 ' HA ' ' O ' ' A' ' 117' ' ' GLU . 29.2 ttm -97.31 140.36 31.9 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 115.462 -0.79 . . . . 1.4 110.341 178.409 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -126.88 113.84 17.09 Favored 'General case' 0 C--N 1.316 -0.856 0 N-CA-C 109.485 -0.561 . . . . 2.68 109.485 176.47 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' MET . . . . . 0.577 ' HE1' ' CE1' ' A' ' 22' ' ' TYR . 24.5 mtp -113.62 143.04 45.24 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 108.641 -0.874 . . . . 1.66 108.641 179.854 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' SER . . . . . 0.443 ' HA ' ' O ' ' A' ' 134' ' ' VAL . 11.7 p -141.17 130.31 23.41 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.453 -0.499 . . . . 1.5 112.187 -177.846 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' TRP . . . . . 0.514 ' CD1' ' HD3' ' A' ' 132' ' ' LYS . 43.4 t-105 -144.38 124.45 13.62 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.259 -0.882 . . . . 0.88 109.768 175.791 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . 0.514 ' HD3' ' CD1' ' A' ' 131' ' ' TRP . 14.3 mptt 51.78 44.28 29.42 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-O 121.1 0.476 . . . . 2.42 111.484 -176.472 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 85.18 -27.14 5.17 Favored Glycine 0 N--CA 1.45 -0.413 0 CA-C-N 115.844 -0.616 . . . . 0.53 112.661 178.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . 0.443 ' O ' ' HA ' ' A' ' 130' ' ' SER . 16.0 t -70.18 105.12 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 120.836 0.35 . . . . 1.13 110.206 -177.321 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' SER . . . . . 0.481 ' HA ' ' O ' ' A' ' 129' ' ' MET . 4.6 m -102.77 142.16 34.37 Favored 'General case' 0 N--CA 1.43 -1.449 0 CA-C-O 121.241 0.543 . . . . 1.64 110.228 177.522 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 136' ' ' THR . . . . . 0.496 ' CG2' ' HB2' ' A' ' 129' ' ' MET . 2.6 t -129.05 125.28 36.92 Favored 'General case' 0 C--N 1.306 -1.315 0 CA-C-N 115.273 -0.876 . . . . 1.1 110.126 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 6.5 m -102.98 108.01 19.02 Favored 'General case' 0 N--CA 1.448 -0.571 0 N-CA-C 109.105 -0.702 . . . . 1.06 109.105 178.294 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . 0.598 ' HD2' ' CD1' ' A' ' 19' ' ' PHE . 47.5 mtp180 -107.35 125.45 51.21 Favored 'General case' 0 C--N 1.314 -0.977 0 CA-C-O 121.238 0.542 . . . . 2.41 109.955 -176.674 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 58.5 m-85 -97.95 117.85 33.22 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.222 -0.899 . . . . 1.03 111.213 -167.743 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 95.4 m-85 -108.54 136.26 48.44 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.875 -0.602 . . . . 0.92 110.354 177.803 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . 0.449 ' HB3' ' CD2' ' A' ' 124' ' ' TYR . 0.0 OUTLIER -123.33 159.53 28.65 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 107.376 -1.342 . . . . 2.41 107.376 173.712 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . 0.515 ' O ' ' HG3' ' A' ' 12' ' ' LYS . 12.3 mmmm -50.05 171.89 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.751 0 N-CA-C 114.758 1.392 . . . . 2.59 114.758 -175.061 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . 0.531 ' NE2' ' HB3' ' A' ' 12' ' ' LYS . 12.8 mm-40 . . . . . 0 C--O 1.25 1.088 0 CA-C-N 114.707 -1.133 . . . . 1.74 110.767 160.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1001 ' ' OLA . . . . . 0.739 H141 ' C10' ' A' 1001 ' ' OLA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.444 -0.725 0 N-CA-C 110.209 -0.293 . . . . 0.99 110.209 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.616 ' HB2' ' CE1' ' A' ' 56' ' ' TYR . 5.0 mt -51.49 127.91 32.42 Favored Pre-proline 0 N--CA 1.465 0.282 0 CA-C-N 115.74 -0.663 . . . . 0.59 111.747 -179.062 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 4' ' ' PRO . . . . . 0.579 ' HD2' HD23 ' A' ' 3' ' ' LEU . 23.7 Cg_endo -66.32 134.51 36.46 Favored 'Trans proline' 0 N--CA 1.454 -0.819 0 C-N-CA 121.877 1.718 . . . . 0.61 110.216 173.04 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ASP . . . . . 0.532 ' HA ' HD12 ' A' ' 8' ' ' LEU . 8.1 p-10 -55.71 -17.58 6.23 Favored 'General case' 0 N--CA 1.466 0.332 0 N-CA-C 112.728 0.64 . . . . 2.19 112.728 -173.025 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.521 ' HB3' ' HG3' ' A' ' 120' ' ' ARG . 60.1 mttp -55.49 -31.52 62.08 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 112.159 0.429 . . . . 2.53 112.159 175.65 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.492 ' CE1' ' HG2' ' A' ' 120' ' ' ARG . 47.4 m-85 -96.27 1.75 52.32 Favored 'General case' 0 C--O 1.226 -0.178 0 O-C-N 122.038 -0.414 . . . . 0.6 111.356 -176.584 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.532 HD12 ' HA ' ' A' ' 5' ' ' ASP . 88.5 mt -101.1 150.26 23.11 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.276 0.56 . . . . 0.46 111.568 -172.24 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 115.05 -173.83 14.98 Favored Glycine 0 N--CA 1.444 -0.818 0 CA-C-N 115.334 -0.848 . . . . 0.52 111.662 -177.815 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.491 HG23 ' HG2' ' A' ' 44' ' ' LYS . 30.8 m -105.8 122.48 46.17 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-O 120.793 0.33 . . . . 1.05 110.533 178.649 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.466 ' HA ' ' HA ' ' A' ' 142' ' ' LYS . 33.9 m-85 -113.45 129.78 56.47 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.125 -0.488 . . . . 0.47 110.538 -178.653 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.504 ' HD3' ' O ' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -100.85 134.97 43.03 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 119.578 -0.849 . . . . 2.19 110.804 172.375 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 61.4 tp -55.65 125.69 22.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.519 -0.764 . . . . 1.14 111.831 178.562 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -92.91 -55.59 3.3 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.013 -0.736 . . . . 2.08 109.013 174.741 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 18.4 ptt180 -158.09 -178.47 7.32 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.135 -0.484 . . . . 3.36 110.754 -176.467 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -156.43 167.76 29.43 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.015 -0.539 . . . . 1.19 109.795 176.61 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 17.9 tp10 -144.76 130.63 19.22 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.709 -0.223 . . . . 2.66 111.216 -174.367 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 40.1 t30 69.13 26.94 5.4 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-O 121.65 0.738 . . . . 0.76 110.779 176.512 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.509 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 8.9 t80 -72.56 -40.51 66.62 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.256 -0.884 . . . . 0.49 111.181 -173.614 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.452 ' OD2' ' HD2' ' A' ' 33' ' ' ARG . 34.0 t70 -58.55 -50.86 72.24 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 120.675 0.274 . . . . 2.04 111.104 178.484 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 41.6 mm-40 -55.37 -42.81 74.46 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 116.203 -0.453 . . . . 1.79 111.277 178.827 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 77.6 t80 -59.12 -39.05 81.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.756 0.312 . . . . 0.57 110.831 176.855 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.509 ' HG ' ' O ' ' A' ' 19' ' ' PHE . 73.1 mt -68.15 -39.51 82.61 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.444 -0.344 . . . . 0.37 110.697 -178.094 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 54.0 mtpt -62.55 -49.6 74.63 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.045 -0.525 . . . . 1.88 109.724 177.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.96 -40.59 80.94 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.283 -0.872 . . . . 0.44 111.095 177.875 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.403 HH11 ' HD2' ' A' ' 26' ' ' ARG . 12.1 mmm180 -70.25 -12.15 61.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.96 -0.564 . . . . 1.29 111.807 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 94.47 22.07 25.22 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.478 -0.867 . . . . 0.62 112.954 177.174 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 75.2 m-85 -92.83 125.24 37.34 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.78 -0.452 . . . . 0.64 109.78 177.1 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -78.21 179.68 51.49 Favored Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.941 -0.647 . . . . 1.54 112.418 -179.587 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.433 ' O ' ' HG2' ' A' ' 34' ' ' GLN . 80.8 t90 -49.75 -49.66 47.32 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 123.019 0.527 . . . . 1.18 111.7 -178.33 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 1.3 mm -53.7 -53.15 27.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.708 0.29 . . . . 2.16 111.723 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.554 ' O ' HG13 ' A' ' 36' ' ' ILE . 54.8 mmm -60.69 -41.08 94.41 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.22 -0.445 . . . . 0.97 111.211 178.36 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.452 ' HD2' ' OD2' ' A' ' 20' ' ' ASP . 52.6 mtm180 -63.56 -29.48 70.73 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.498 -0.319 . . . . 1.87 110.752 179.532 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.525 ' O ' HD23 ' A' ' 38' ' ' LEU . 86.0 mm-40 -71.35 -25.48 62.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.921 0.391 . . . . 1.97 110.844 176.269 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.478 HG13 ' HG3' ' A' ' 64' ' ' LYS . 56.5 t -84.89 -66.79 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 121.238 0.542 . . . . 0.68 110.642 175.072 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.554 HG13 ' O ' ' A' ' 32' ' ' MET . 28.4 mt -49.96 -43.4 20.15 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.494 0 CA-C-N 114.797 -1.092 . . . . 0.51 113.814 -174.049 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 54.2 mtmt -72.89 -22.57 60.73 Favored 'General case' 0 N--CA 1.47 0.538 0 N-CA-C 112.106 0.41 . . . . 0.97 112.106 -175.913 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.525 HD23 ' O ' ' A' ' 34' ' ' GLN . 3.8 mm? -100.84 3.76 42.24 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.1 0.476 . . . . 2.08 110.727 -175.549 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -85.55 109.48 18.55 Favored 'General case' 0 N--CA 1.445 -0.689 0 CA-C-N 115.741 -0.663 . . . . 1.03 110.856 -179.589 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.5 ' O ' ' HA ' ' A' ' 62' ' ' THR . . . -70.53 146.54 42.34 Favored Glycine 0 N--CA 1.447 -0.605 0 N-CA-C 110.225 -1.15 . . . . 0.84 110.225 173.882 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 45.6 t -131.65 133.64 61.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 117.403 0.602 . . . . 1.3 112.153 -170.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 8.1 m -120.69 122.7 41.02 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.603 -0.726 . . . . 0.45 110.025 175.415 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.429 ' HB2' ' HB2' ' A' ' 11' ' ' PHE . 44.3 mmtm -93.88 137.73 32.79 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.315 -0.402 . . . . 0.79 110.519 -179.551 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.604 ' O ' ' HA ' ' A' ' 58' ' ' MET . 99.3 mttt -133.82 111.08 10.22 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.883 0.373 . . . . 1.96 110.893 177.344 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.523 ' CE2' ' HG3' ' A' ' 58' ' ' MET . 41.9 m-85 -115.03 134.31 55.29 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.769 -0.651 . . . . 0.54 109.415 175.738 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.429 ' CG ' ' HB2' ' A' ' 57' ' ' ASP . 23.1 ptt180 -154.91 160.66 41.32 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 110.634 -0.136 . . . . 3.17 110.634 -179.153 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 46.6 m-80 -61.96 135.09 57.41 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 108.721 -0.844 . . . . 1.85 108.721 171.647 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 1.071 ' HB3' ' HD2' ' A' ' 55' ' ' ARG . . . -71.32 125.12 26.15 Favored 'General case' 0 CA--C 1.516 -0.341 0 CA-C-O 121.432 0.634 . . . . 0.87 112.039 -172.055 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -68.14 -6.72 24.64 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 114.684 -1.143 . . . . 1.48 112.275 179.425 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 63.6 p -44.17 -26.58 0.32 Allowed 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 115.714 -0.676 . . . . 2.37 111.878 173.177 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 97.3 3.17 58.82 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.916 -0.659 . . . . 1.91 112.138 177.08 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.531 ' HB2' ' HG2' ' A' ' 55' ' ' ARG . 53.4 mtmt -95.08 174.9 3.17 Favored Pre-proline 0 C--N 1.319 -0.744 0 N-CA-C 109.206 -0.665 . . . . 3.17 109.206 178.356 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -99.68 157.68 0.56 Allowed 'Trans proline' 0 N--CA 1.456 -0.713 0 C-N-CA 122.885 2.39 . . . . 1.84 112.501 171.519 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 29.8 m-20 79.28 -38.17 0.19 Allowed 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.938 0.895 . . . . 2.44 112.636 173.361 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 1.071 ' HD2' ' HB3' ' A' ' 48' ' ' ALA . 0.0 OUTLIER -56.81 155.79 7.37 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 113.822 1.045 . . . . 4.1 113.822 175.58 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.616 ' CE1' ' HB2' ' A' ' 3' ' ' LEU . 70.9 m-85 -142.63 154.32 44.26 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.755 -0.657 . . . . 0.97 110.718 175.424 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.571 ' OD1' ' HA ' ' A' ' 48' ' ' ALA . 41.8 m-20 -102.62 146.93 27.45 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.958 -0.756 . . . . 1.1 108.958 173.511 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.604 ' HA ' ' O ' ' A' ' 44' ' ' LYS . 1.9 tmt? -149.67 121.29 8.02 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.835 0.35 . . . . 0.98 110.57 177.194 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -119.55 151.21 39.0 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 121.502 0.668 . . . . 1.11 111.277 175.53 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -118.77 89.86 3.21 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 114.672 -1.149 . . . . 1.17 108.977 -177.64 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 60.5 tp -86.24 124.3 32.46 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 110.077 -0.342 . . . . 1.67 110.077 -178.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.5 ' HA ' ' O ' ' A' ' 40' ' ' GLY . 21.7 p -126.71 -166.29 1.57 Allowed 'General case' 0 N--CA 1.435 -1.19 0 N-CA-C 108.643 -0.873 . . . . 0.45 108.643 179.231 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 82.4 p -88.0 -37.94 15.92 Favored 'General case' 0 C--N 1.312 -1.053 0 CA-C-O 121.034 0.445 . . . . 0.54 111.255 -177.725 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.478 ' HG3' HG13 ' A' ' 35' ' ' VAL . 35.5 mmtp -106.54 -17.53 14.23 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.048 -0.523 . . . . 2.24 111.236 -175.546 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 27.5 mmmt -125.1 -160.74 0.97 Allowed 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.374 -0.375 . . . . 1.82 110.967 -177.498 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 164.63 118.61 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 114.817 -1.083 . . . . 2.12 108.914 -169.035 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 76.4 p -135.64 151.65 50.44 Favored 'General case' 0 C--N 1.314 -0.954 0 CA-C-N 115.478 -0.783 . . . . 0.56 108.894 179.48 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.416 ' O ' ' HE2' ' A' ' 70' ' ' LYS . 21.1 t-160 -146.49 94.09 2.39 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 120.936 0.398 . . . . 1.95 110.899 -172.112 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 21.0 m-70 -76.59 87.5 3.28 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.982 -0.553 . . . . 0.39 110.072 179.239 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.416 ' HE2' ' O ' ' A' ' 68' ' ' HIS . 13.2 mtmt -69.97 114.23 7.94 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.365 -0.379 . . . . 2.3 111.957 176.62 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 32.5 t70 61.12 83.78 0.14 Allowed 'General case' 0 C--N 1.329 -0.316 0 O-C-N 123.903 0.752 . . . . 2.07 112.204 169.671 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' TRP . . . . . 0.475 ' HE1' ' CB ' ' A' ' 58' ' ' MET . 69.2 p-90 -128.69 159.85 34.34 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.396 -0.365 . . . . 0.43 110.567 176.055 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.586 ' O ' ' HB3' ' A' ' 76' ' ' GLU . . . -125.09 150.86 46.4 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.107 -0.497 . . . . 0.55 109.743 172.902 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.638 HD13 ' H ' ' A' ' 74' ' ' LEU . 0.0 OUTLIER -65.72 145.74 55.64 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 120.0 -0.68 . . . . 1.71 110.023 172.446 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 79.32 -1.61 75.35 Favored Glycine 0 N--CA 1.445 -0.702 0 CA-C-N 115.407 -0.815 . . . . 0.59 112.024 -171.473 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.586 ' HB3' ' O ' ' A' ' 73' ' ' ALA . 38.7 tt0 -101.1 148.16 25.39 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 121.272 0.558 . . . . 2.37 111.31 -176.251 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -122.71 119.73 31.55 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 114.947 -1.024 . . . . 1.4 109.316 -179.158 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 42.3 p90 -137.9 162.83 33.0 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.552 -0.294 . . . . 0.57 110.582 -175.359 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -94.76 141.31 28.77 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.492 -0.322 . . . . 1.95 110.149 176.039 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 46.0 t0 -172.72 172.82 4.06 Favored 'General case' 0 N--CA 1.466 0.334 0 N-CA-C 109.578 -0.527 . . . . 1.26 109.578 -177.082 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.511 ' HA ' ' O ' ' A' ' 86' ' ' THR . 38.0 tt0 -97.73 122.09 40.42 Favored 'General case' 0 CA--C 1.508 -0.64 0 CA-C-O 121.24 0.543 . . . . 2.13 109.883 179.662 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.503 ' HB3' ' HE2' ' A' ' 88' ' ' HIS . . . -92.88 -178.66 4.89 Favored 'General case' 0 C--N 1.311 -1.08 0 CA-C-N 114.946 -1.024 . . . . 0.95 111.793 178.909 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.426 HD22 ' H ' ' A' ' 83' ' ' LEU . 3.3 mm? -57.35 -25.2 59.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.067 0.461 . . . . 1.34 110.635 -179.723 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.422 ' OD1' ' HB3' ' A' ' 82' ' ' ALA . 3.8 p30 -79.63 8.05 7.25 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.665 -0.698 . . . . 1.55 111.496 -178.548 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 50.2 m 75.71 -9.34 1.44 Allowed 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 114.928 1.455 . . . . 1.21 114.928 168.585 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.54 ' OG1' ' HD2' ' A' ' 88' ' ' HIS . 67.9 p -95.45 163.95 13.02 Favored 'General case' 0 C--O 1.241 0.634 0 CA-C-N 119.568 1.077 . . . . 0.93 111.332 177.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -103.9 93.52 4.92 Favored 'General case' 0 CA--C 1.511 -0.534 0 N-CA-C 107.502 -1.295 . . . . 1.88 107.502 -175.885 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' HIS . . . . . 0.592 ' CE1' ' HB3' ' A' ' 104' ' ' HIS . 11.2 p80 -130.77 178.78 6.39 Favored 'General case' 0 C--N 1.315 -0.93 0 C-N-CA 120.243 -0.583 . . . . 1.04 111.887 -167.197 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 26.7 ttpp -73.24 132.95 43.77 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 114.993 -1.003 . . . . 1.49 109.712 -178.562 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 62.1 mt -135.89 144.3 33.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.909 0 CA-C-N 116.164 -0.471 . . . . 0.54 109.996 -176.542 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 22.5 m -137.54 134.04 35.2 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.267 0.556 . . . . 0.43 111.505 -178.737 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.531 ' HA ' ' O ' ' A' ' 101' ' ' THR . 27.1 m-85 -110.73 150.21 29.39 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.272 -0.876 . . . . 0.6 108.672 175.389 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -159.34 133.36 7.53 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 120.967 0.413 . . . . 1.69 111.753 179.015 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -83.92 101.1 11.45 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 108.405 -0.961 . . . . 1.12 108.405 172.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.628 ' HE3' HG21 ' A' ' 99' ' ' THR . 16.4 pttp -86.91 -40.63 14.66 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.324 -0.621 . . . . 3.03 109.324 -171.853 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.512 ' OD1' ' HG3' ' A' ' 95' ' ' LYS . 9.9 m-20 -131.27 159.74 70.27 Favored Pre-proline 0 C--N 1.324 -0.502 0 N-CA-C 107.34 -1.355 . . . . 1.79 107.34 172.555 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 11.0 Cg_exo -71.57 14.41 0.4 Allowed 'Trans proline' 0 C--O 1.233 0.258 0 C-N-CA 122.972 2.448 . . . . 0.98 112.693 -173.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 9.3 p30 -145.05 16.12 1.54 Allowed 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.853 -0.612 . . . . 2.32 110.373 176.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.628 HG21 ' HE3' ' A' ' 95' ' ' LYS . 32.5 m -152.06 115.08 4.67 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-O 121.38 0.61 . . . . 0.56 112.328 -179.653 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.552 ' HB3' ' HB2' ' A' ' 118' ' ' TYR . 20.3 tp -98.25 149.0 23.04 Favored 'General case' 0 C--O 1.22 -0.45 0 CA-C-N 114.925 -1.034 . . . . 1.1 109.47 175.044 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.531 ' O ' ' HA ' ' A' ' 92' ' ' PHE . 19.5 p -117.17 137.19 52.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 121.627 -0.67 . . . . 0.41 112.268 -179.4 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.519 ' O ' ' HA ' ' A' ' 115' ' ' THR . 2.5 tp10 -116.28 113.5 23.08 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.42 -0.809 . . . . 1.31 109.353 173.781 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 57.2 m -118.87 120.26 36.8 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.12 0.486 . . . . 0.51 111.037 -177.845 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' HIS . . . . . 0.592 ' HB3' ' CE1' ' A' ' 88' ' ' HIS . 24.9 m170 -99.11 120.09 38.91 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.929 -0.578 . . . . 1.69 110.42 -179.68 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.553 ' O ' ' HB2' ' A' ' 88' ' ' HIS . 11.1 mt -117.11 111.58 35.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 121.263 0.554 . . . . 0.75 110.695 175.031 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.529 ' HA ' ' CB ' ' A' ' 88' ' ' HIS . 96.7 mttt -69.21 137.83 53.53 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-N 115.2 -0.909 . . . . 1.61 112.389 -176.858 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.528 ' CG2' ' HA ' ' A' ' 88' ' ' HIS . 2.3 t -62.46 -37.3 78.43 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.502 0 CA-C-N 114.371 -1.286 . . . . 1.32 110.396 177.259 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 42.0 m-20 -78.14 -50.15 12.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.482 -0.781 . . . . 2.5 110.371 -176.003 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' ASP . . . . . 0.421 ' O ' ' HB2' ' A' ' 106' ' ' LYS . 14.1 t70 -134.02 95.38 17.08 Favored Pre-proline 0 C--N 1.326 -0.426 0 CA-C-O 121.308 0.575 . . . . 2.39 110.008 179.486 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 68.6 Cg_endo -73.72 1.84 6.53 Favored 'Trans proline' 0 C--N 1.33 -0.399 0 C-N-CA 123.379 2.719 . . . . 0.9 113.478 -177.741 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 33.9 p -97.07 -18.79 19.14 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 120.711 -0.396 . . . . 1.47 110.994 179.419 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -90.94 49.99 1.73 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.733 0.778 . . . . 1.59 109.679 176.093 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.467 HG12 HG12 ' A' ' 105' ' ' ILE . 13.5 m -67.74 171.94 0.81 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.532 0 CA-C-N 114.926 -1.034 . . . . 1.6 111.968 178.639 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -155.75 133.09 10.89 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-N 115.258 -0.883 . . . . 2.78 109.663 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 115' ' ' THR . . . . . 0.519 ' HA ' ' O ' ' A' ' 102' ' ' GLU . 85.2 m -130.77 128.49 40.87 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.347 0.594 . . . . 0.53 112.211 -174.153 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -107.03 157.41 17.84 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.383 -1.34 . . . . 0.96 107.383 172.346 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 117' ' ' GLU . . . . . 0.489 ' HG2' HG22 ' A' ' 101' ' ' THR . 46.5 mt-10 -131.61 122.85 26.72 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.041 -0.726 . . . . 1.27 109.041 177.814 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 118' ' ' TYR . . . . . 0.552 ' HB2' ' HB3' ' A' ' 100' ' ' LEU . 90.9 m-85 -92.19 94.92 9.44 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.277 -0.419 . . . . 0.6 110.079 -177.896 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 50.3 ttt180 -101.86 153.03 20.21 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.994 -0.548 . . . . 3.41 109.923 177.74 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 120' ' ' ARG . . . . . 0.521 ' HG3' ' HB3' ' A' ' 6' ' ' LYS . 6.1 mmm180 -106.07 135.74 46.99 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.729 -0.471 . . . . 1.96 109.729 172.728 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -148.65 110.96 4.67 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.662 -0.496 . . . . 1.08 109.662 175.505 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 71.3 -133.22 21.74 Favored Glycine 0 N--CA 1.445 -0.706 0 N-CA-C 110.85 -0.9 . . . . 0.92 110.85 -174.569 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -103.78 28.78 6.31 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.266 0.555 . . . . 2.31 109.84 175.637 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 86.9 m-85 -126.33 143.56 51.12 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 115.662 -0.699 . . . . 0.67 110.62 -178.433 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 40.4 tp -84.75 121.58 27.88 Favored 'General case' 0 N--CA 1.443 -0.796 0 N-CA-C 107.802 -1.185 . . . . 1.03 107.802 168.043 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 58.8 t -114.81 114.78 47.53 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.143 0 CA-C-O 121.244 0.545 . . . . 0.47 109.547 -174.686 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 127' ' ' MET . . . . . 0.493 ' O ' ' HA ' ' A' ' 137' ' ' SER . 31.1 ttm -91.56 136.28 33.25 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-N 115.512 -0.767 . . . . 1.08 110.369 -178.564 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 15.9 tppt? -117.56 121.42 40.91 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 108.834 -0.802 . . . . 2.2 108.834 176.256 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 129' ' ' MET . . . . . 0.54 ' HB2' ' CG2' ' A' ' 136' ' ' THR . 23.5 mtp -122.68 122.82 39.69 Favored 'General case' 0 C--N 1.316 -0.88 0 N-CA-C 108.155 -1.054 . . . . 1.11 108.155 178.434 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 130' ' ' SER . . . . . 0.581 ' HA ' ' O ' ' A' ' 134' ' ' VAL . 13.5 p -129.24 129.67 45.27 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.408 0.623 . . . . 1.06 112.01 -175.839 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 131' ' ' TRP . . . . . 0.513 ' CD1' ' HG2' ' A' ' 132' ' ' LYS . 34.7 t-105 -148.76 131.48 15.97 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 114.976 -1.011 . . . . 0.76 109.368 177.661 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 132' ' ' LYS . . . . . 0.513 ' HG2' ' CD1' ' A' ' 131' ' ' TRP . 75.5 mmtt 56.43 32.59 20.94 Favored 'General case' 0 C--N 1.327 -0.374 0 O-C-N 123.444 0.465 . . . . 1.96 111.146 -177.328 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 85.61 -13.2 56.88 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 121.095 -0.574 . . . . 0.53 112.758 -179.027 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 134' ' ' VAL . . . . . 0.581 ' O ' ' HA ' ' A' ' 130' ' ' SER . 13.1 t -80.41 109.23 14.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.541 0.17 . . . . 0.43 110.659 -177.742 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -98.13 133.29 42.78 Favored 'General case' 0 N--CA 1.444 -0.759 0 CA-C-O 121.088 0.47 . . . . 1.14 110.696 174.028 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 136' ' ' THR . . . . . 0.54 ' CG2' ' HB2' ' A' ' 129' ' ' MET . 5.2 t -121.45 134.99 55.09 Favored 'General case' 0 C--N 1.312 -1.047 0 CA-C-N 115.478 -0.783 . . . . 0.4 109.31 173.783 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 137' ' ' SER . . . . . 0.493 ' HA ' ' O ' ' A' ' 127' ' ' MET . 4.0 m -113.18 113.34 25.21 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.133 -0.485 . . . . 0.79 110.179 -177.845 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 38.1 mtp180 -98.97 122.76 42.66 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.464 -0.569 . . . . 1.84 109.464 178.038 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 92.6 m-85 -97.39 111.83 23.92 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.983 -0.553 . . . . 0.64 110.763 -174.848 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 81.7 m-85 -107.61 132.48 53.25 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.582 -0.735 . . . . 0.6 110.351 179.645 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 15.2 ptpt -104.87 168.82 8.81 Favored 'General case' 0 C--N 1.313 -0.983 0 N-CA-C 107.472 -1.307 . . . . 1.92 107.472 172.66 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 142' ' ' LYS . . . . . 0.47 ' O ' ' HG3' ' A' ' 12' ' ' LYS . 14.6 mmmm -59.62 178.78 0.14 Allowed 'General case' 0 C--N 1.317 -0.847 0 CA-C-O 121.884 0.85 . . . . 2.13 111.674 171.823 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 20.6 mm-40 . . . . . 0 C--O 1.249 1.031 0 CA-C-N 115.377 -0.828 . . . . 1.46 109.551 159.989 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.445 -0.716 0 N-CA-C 110.019 -0.363 . . . . 0.99 110.019 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.552 ' HB2' ' CZ ' ' A' ' 56' ' ' TYR . 6.2 mt -59.21 126.06 80.61 Favored Pre-proline 0 C--N 1.327 -0.39 0 CA-C-N 115.898 -0.592 . . . . 0.59 111.872 -177.311 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -58.66 126.94 22.74 Favored 'Trans proline' 0 N--CA 1.456 -0.678 0 C-N-CA 122.468 2.112 . . . . 0.61 110.678 171.004 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ASP . . . . . 0.499 ' HA ' HD12 ' A' ' 8' ' ' LEU . 10.8 t70 -48.02 -29.41 3.47 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 115.454 -0.793 . . . . 2.19 111.991 178.57 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.512 ' O ' ' HD3' ' A' ' 120' ' ' ARG . 60.1 mttp -64.65 -17.91 64.47 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 113.018 0.747 . . . . 2.53 113.018 179.004 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -98.51 -0.8 42.63 Favored 'General case' 0 C--N 1.327 -0.397 0 O-C-N 121.51 -0.744 . . . . 0.6 110.22 177.701 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.52 HD23 ' HB3' ' A' ' 45' ' ' PHE . 88.1 mt -102.03 142.92 32.56 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.13 0.491 . . . . 0.46 111.603 -172.662 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 133.96 176.54 14.43 Favored Glycine 0 N--CA 1.446 -0.64 0 CA-C-N 115.428 -0.806 . . . . 0.52 112.051 -178.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.549 HG23 ' HG2' ' A' ' 44' ' ' LYS . 31.0 m -108.03 125.26 51.34 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.685 -0.487 . . . . 1.05 109.685 176.27 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 69.1 m-85 -116.22 132.71 56.59 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 112.797 0.665 . . . . 0.47 112.797 -171.337 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.514 ' HG3' ' HA ' ' A' ' 143' ' ' GLN . 48.2 mttp -70.54 -171.1 0.46 Allowed 'General case' 0 C--N 1.345 0.407 0 CA-C-O 121.222 0.534 . . . . 2.19 111.001 163.362 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.473 HD12 ' HB ' ' A' ' 41' ' ' VAL . 2.4 tt -137.83 111.81 8.4 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.574 -0.528 . . . . 1.14 109.574 -177.543 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -82.01 -51.99 7.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.521 0.201 . . . . 2.08 111.266 -179.418 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.426 HH11 ' HD2' ' A' ' 15' ' ' ARG . 17.6 ptt180 -161.16 179.6 8.25 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.915 0.388 . . . . 3.36 111.341 -174.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.433 ' HA ' ' HA ' ' A' ' 138' ' ' ARG . 3.5 p30 -146.53 164.33 32.92 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.791 -0.64 . . . . 1.19 109.964 178.685 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -142.53 130.11 21.37 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.68 -0.236 . . . . 2.66 110.943 -177.635 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 62.63 21.84 12.95 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 115.762 -0.654 . . . . 0.76 111.446 173.482 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 32.6 t80 -76.99 -40.63 46.06 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.669 -0.696 . . . . 0.49 110.575 -174.68 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -59.48 -44.59 93.0 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.123 -0.49 . . . . 2.04 110.171 176.765 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.539 ' HA ' ' HE2' ' A' ' 24' ' ' LYS . 51.0 mm-40 -53.22 -43.87 67.6 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 115.776 -0.647 . . . . 1.79 110.638 175.056 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 89.8 t80 -60.66 -36.88 79.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.917 -0.583 . . . . 0.57 111.312 178.677 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 61.7 mt -65.47 -39.0 91.45 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.811 0.339 . . . . 0.37 110.761 -177.266 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.539 ' HE2' ' HA ' ' A' ' 21' ' ' GLU . 53.8 mtmt -65.46 -43.05 91.54 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.196 0.522 . . . . 1.88 109.954 177.114 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.42 ' HB2' HG21 ' A' ' 134' ' ' VAL . . . -58.22 -42.01 85.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.384 -0.825 . . . . 0.44 111.448 178.014 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 16.1 mmm180 -75.41 -6.75 51.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.12 -0.491 . . . . 1.29 111.719 -179.315 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 87.25 20.95 51.04 Favored Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 120.636 -0.793 . . . . 0.62 112.703 175.479 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 58.7 m-85 -77.37 127.32 32.37 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.876 -0.416 . . . . 0.64 109.876 176.871 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -73.8 177.06 45.15 Favored Glycine 0 N--CA 1.444 -0.821 0 C-N-CA 120.858 -0.686 . . . . 1.54 111.894 -179.588 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 73.8 t90 -50.65 -43.6 57.27 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.206 0.447 . . . . 1.18 112.206 -175.628 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.713 ' H ' HD12 ' A' ' 31' ' ' ILE . 3.0 mp -57.02 -57.4 10.02 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.798 0 CA-C-O 121.479 0.656 . . . . 2.16 110.049 -175.346 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.407 ' O ' HG13 ' A' ' 36' ' ' ILE . 70.7 mmm -67.3 -27.8 67.47 Favored 'General case' 0 N--CA 1.429 -1.491 0 CA-C-N 114.867 -1.06 . . . . 0.97 110.388 -176.568 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.569 ' O ' ' HD2' ' A' ' 37' ' ' LYS . 33.8 ttp180 -78.4 6.7 7.85 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.303 -0.862 . . . . 1.87 110.46 -179.03 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 25.0 mm-40 -115.57 -21.85 9.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.841 -0.618 . . . . 1.97 110.192 171.69 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 98.2 t -90.24 -60.91 2.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 121.094 0.473 . . . . 0.68 111.382 -178.118 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.419 HG13 ' H ' ' A' ' 36' ' ' ILE . 44.0 mt -47.83 -40.62 8.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 C-N-CA 124.018 0.927 . . . . 0.51 113.387 -178.347 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.569 ' HD2' ' O ' ' A' ' 33' ' ' ARG . 0.1 OUTLIER -97.83 23.77 7.6 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.885 0.374 . . . . 0.97 111.652 -178.821 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.456 ' C ' HD13 ' A' ' 38' ' ' LEU . 0.6 OUTLIER -122.68 -44.88 2.2 Favored 'General case' 0 N--CA 1.445 -0.702 0 N-CA-C 108.835 -0.802 . . . . 2.08 108.835 177.156 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -52.13 128.68 25.5 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 115.803 -0.635 . . . . 1.03 111.815 177.048 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.543 ' O ' ' HA ' ' A' ' 62' ' ' THR . . . -75.56 149.67 38.83 Favored Glycine 0 N--CA 1.444 -0.779 0 N-CA-C 110.873 -0.891 . . . . 0.84 110.873 173.646 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.473 ' HB ' HD12 ' A' ' 13' ' ' LEU . 12.2 t -125.72 131.74 71.62 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-O 121.013 0.435 . . . . 1.3 111.251 -174.125 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.419 HG23 HE21 ' A' ' 143' ' ' GLN . 49.1 m -111.46 111.33 22.28 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.593 -0.73 . . . . 0.45 110.026 173.145 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 38.0 mmtm -85.5 134.88 34.02 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.592 -0.276 . . . . 0.79 110.258 178.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.549 ' HG2' HG23 ' A' ' 10' ' ' THR . 98.5 mttt -130.4 118.55 21.37 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.627 0.251 . . . . 1.96 110.583 178.225 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.52 ' HB3' HD23 ' A' ' 8' ' ' LEU . 86.9 m-85 -122.94 126.54 47.43 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 109.347 -0.612 . . . . 0.54 109.347 173.623 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.471 ' HG3' ' HB3' ' A' ' 57' ' ' ASP . 2.8 ptm180 -156.13 166.14 34.35 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 120.895 0.379 . . . . 3.17 110.96 -175.208 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ASN . . . . . 0.404 ' HA ' ' CD2' ' A' ' 56' ' ' TYR . 19.0 m120 -62.64 154.7 28.34 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 108.987 -0.745 . . . . 1.85 108.987 172.354 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.452 ' HB1' ' OD1' ' A' ' 71' ' ' ASP . . . -58.01 141.36 50.02 Favored 'General case' 0 CA--C 1.518 -0.28 0 CA-C-O 121.372 0.606 . . . . 0.87 110.905 -177.041 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.4 -35.62 81.5 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 114.92 -1.036 . . . . 1.48 111.7 -171.524 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 42.1 p -75.56 9.23 2.33 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.138 0.421 . . . . 2.37 112.138 176.901 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 63.33 29.87 75.82 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 121.004 -0.617 . . . . 1.91 112.531 -179.063 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 6.1 tmtt? -84.96 114.39 55.48 Favored Pre-proline 0 C--N 1.322 -0.594 0 N-CA-C 110.026 -0.361 . . . . 3.17 110.026 -177.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.457 ' O ' ' HB2' ' A' ' 54' ' ' ASP . 88.3 Cg_exo -51.69 140.8 45.64 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 123.122 2.548 . . . . 1.84 113.228 179.284 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.457 ' HB2' ' O ' ' A' ' 53' ' ' PRO . 29.9 m-20 82.3 -48.92 0.2 Allowed 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 114.769 -1.105 . . . . 2.44 110.436 177.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 55.3 mtp180 -66.71 145.44 55.54 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.313 0.578 . . . . 4.1 111.653 175.318 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.552 ' CZ ' ' HB2' ' A' ' 3' ' ' LEU . 76.5 m-85 -124.74 -178.86 4.29 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.6 -0.727 . . . . 0.97 110.252 178.574 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.648 ' OD2' ' HA ' ' A' ' 70' ' ' LYS . 14.1 t70 -136.87 136.87 39.08 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 108.511 -0.922 . . . . 1.1 108.511 177.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.423 ' N ' ' HE1' ' A' ' 72' ' ' TRP . 1.5 tmt? -140.12 140.4 36.01 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 110.024 -0.361 . . . . 0.98 110.024 -174.808 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.504 ' HG3' ' O ' ' A' ' 67' ' ' THR . 41.2 tt0 -142.08 147.37 36.67 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.092 0.472 . . . . 1.11 111.79 -173.335 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.607 ' HB2' ' OG1' ' A' ' 67' ' ' THR . 48.3 m-80 -127.64 106.8 9.4 Favored 'General case' 0 CA--C 1.516 -0.342 0 CA-C-N 115.659 -0.7 . . . . 1.17 109.328 175.862 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 65.4 tp -103.76 127.5 51.23 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 109.955 -0.387 . . . . 1.67 109.955 177.193 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.543 ' HA ' ' O ' ' A' ' 40' ' ' GLY . 71.1 p -128.32 -177.85 4.32 Favored 'General case' 0 N--CA 1.443 -0.776 0 N-CA-C 109.626 -0.509 . . . . 0.45 109.626 -178.88 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.404 HG23 ' H ' ' A' ' 40' ' ' GLY . 30.4 p -80.83 -30.54 35.74 Favored 'General case' 0 C--N 1.313 -1.0 0 CA-C-O 121.394 0.616 . . . . 0.54 110.461 179.204 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 53.3 tptt -101.73 -22.55 14.38 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.462 -0.79 . . . . 2.24 111.38 -174.414 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.464 ' HD2' ' HA ' ' A' ' 65' ' ' LYS . 8.2 mmmt -139.5 -155.64 0.61 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.099 0.476 . . . . 1.82 112.267 -174.845 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 171.96 130.53 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 114.787 -1.097 . . . . 2.12 108.763 -166.9 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.607 ' OG1' ' HB2' ' A' ' 60' ' ' ASN . 59.5 p -147.4 143.62 28.09 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 109.366 -0.605 . . . . 0.56 109.366 178.158 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 9.4 t-160 -143.67 99.87 3.49 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.288 0.566 . . . . 1.95 110.203 -177.756 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 21.4 m-70 -78.53 83.47 4.72 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 108.696 -0.853 . . . . 0.39 108.696 176.789 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.648 ' HA ' ' OD2' ' A' ' 57' ' ' ASP . 7.7 ptpp? -75.07 117.78 17.29 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.752 -0.658 . . . . 2.3 112.193 -174.763 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.452 ' OD1' ' HB1' ' A' ' 48' ' ' ALA . 9.9 m-20 52.87 81.52 0.08 Allowed 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 115.263 -0.88 . . . . 2.07 111.95 174.337 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' TRP . . . . . 0.423 ' HE1' ' N ' ' A' ' 58' ' ' MET . 66.0 p-90 -118.31 146.06 44.62 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.944 -0.571 . . . . 0.43 110.117 177.434 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -96.16 143.71 27.04 Favored 'General case' 0 C--N 1.321 -0.66 0 O-C-N 122.286 -0.259 . . . . 0.55 110.816 178.675 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.417 HD21 HD23 ' A' ' 94' ' ' LEU . 0.1 OUTLIER -50.31 114.11 1.04 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.379 -0.373 . . . . 1.71 110.81 171.202 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 91.79 21.75 32.9 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 121.207 -0.52 . . . . 0.59 112.434 -178.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -110.32 125.22 52.93 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.298 0.57 . . . . 2.37 111.217 -176.007 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -90.31 115.68 27.7 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.226 -0.897 . . . . 1.4 109.077 171.887 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 41.6 p90 -129.02 150.05 50.59 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.261 -0.427 . . . . 0.57 110.659 -175.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 53.0 tt0 -85.34 142.85 29.03 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.577 -0.527 . . . . 1.95 109.577 176.274 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 38.6 t0 -164.97 171.22 14.27 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 109.311 -0.626 . . . . 1.26 109.311 -174.575 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.511 ' HA ' ' O ' ' A' ' 86' ' ' THR . 35.3 tt0 -99.09 111.67 24.01 Favored 'General case' 0 CA--C 1.504 -0.802 0 N-CA-C 108.495 -0.928 . . . . 2.13 108.495 175.024 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.59 ' HB2' HD11 ' A' ' 90' ' ' ILE . . . -90.62 -178.68 5.36 Favored 'General case' 0 C--N 1.308 -1.204 0 CA-C-N 115.249 -0.887 . . . . 0.95 111.839 -176.476 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.543 HD22 ' H ' ' A' ' 83' ' ' LEU . 2.9 mm? -56.16 -30.28 61.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.982 0.42 . . . . 1.34 110.478 -177.879 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.498 ' OD1' ' HB3' ' A' ' 82' ' ' ALA . 17.7 p-10 -77.71 11.38 2.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.889 -0.596 . . . . 1.55 111.134 -178.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 15.7 m 65.54 15.35 9.99 Favored 'General case' 0 N--CA 1.465 0.302 0 N-CA-C 113.8 1.037 . . . . 1.21 113.8 166.57 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.511 ' O ' ' HA ' ' A' ' 81' ' ' GLU . 12.4 p -113.48 166.31 11.62 Favored 'General case' 0 C--N 1.319 -0.756 0 C-N-CA 120.737 -0.385 . . . . 0.93 110.475 175.853 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 2.6 mm100 -102.34 99.11 9.15 Favored 'General case' 0 CA--C 1.511 -0.553 0 N-CA-C 107.789 -1.189 . . . . 1.88 107.789 -178.367 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' HIS . . . . . 0.498 ' CB ' ' HA ' ' A' ' 106' ' ' LYS . 23.9 p80 -138.46 172.18 13.27 Favored 'General case' 0 C--N 1.314 -0.957 0 C-N-CA 120.43 -0.508 . . . . 1.04 110.876 -173.108 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 43.6 mtmt -73.76 149.37 41.8 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.935 -0.575 . . . . 1.49 110.324 -178.521 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.59 HD11 ' HB2' ' A' ' 82' ' ' ALA . 72.0 mt -147.0 128.67 6.52 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.876 0 CA-C-N 115.473 -0.785 . . . . 0.54 109.785 179.578 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 24.7 m -105.93 130.32 53.9 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-O 120.877 0.37 . . . . 0.43 110.832 179.104 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.468 ' CE1' ' HG3' ' A' ' 102' ' ' GLU . 1.8 m-85 -112.86 124.52 52.78 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 108.79 -0.818 . . . . 0.6 108.79 174.08 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -163.33 164.35 24.85 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 120.846 0.355 . . . . 1.69 110.089 -177.05 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.432 HD22 ' HG ' ' A' ' 100' ' ' LEU . 2.7 mm? -100.85 111.1 23.24 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 109.519 -0.548 . . . . 1.12 109.519 179.769 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 46.3 tptt -77.56 -41.06 40.3 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 108.557 -0.905 . . . . 3.03 108.557 -175.807 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 -134.65 162.51 57.28 Favored Pre-proline 0 C--N 1.322 -0.597 0 CA-C-N 114.483 -1.235 . . . . 1.79 107.793 174.014 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_exo -68.68 5.55 1.27 Allowed 'Trans proline' 0 CA--C 1.529 0.267 0 C-N-CA 123.046 2.497 . . . . 0.98 112.504 -178.821 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 19.0 m120 -136.34 13.52 3.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.125 -0.488 . . . . 2.32 110.532 175.915 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 28.2 m -145.18 112.65 6.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.047 0.451 . . . . 0.56 111.82 -176.769 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.5 HD23 ' N ' ' A' ' 101' ' ' THR . 2.8 tt -91.85 134.75 34.48 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.873 -1.158 . . . . 1.1 107.873 175.496 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.5 ' N ' HD23 ' A' ' 100' ' ' LEU . 5.7 p -117.03 131.99 56.81 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 118.798 0.726 . . . . 0.41 112.03 -179.598 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.468 ' HG3' ' CE1' ' A' ' 92' ' ' PHE . 32.9 tt0 -112.67 105.46 13.63 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.321 -0.854 . . . . 1.31 109.121 174.523 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 27.0 m -101.58 115.69 31.09 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 120.786 0.327 . . . . 0.51 110.785 -177.394 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 30.8 m170 -89.88 114.37 26.13 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.345 -0.389 . . . . 1.69 110.125 177.901 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.472 ' O ' ' HB2' ' A' ' 88' ' ' HIS . 11.1 mt -108.28 104.22 16.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 121.256 0.55 . . . . 0.75 110.537 175.235 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.498 ' HA ' ' CB ' ' A' ' 88' ' ' HIS . 56.8 mttm -59.17 119.13 6.76 Favored 'General case' 0 C--N 1.313 -1.014 0 CA-C-N 115.178 -0.919 . . . . 1.61 110.682 176.527 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.486 HG13 ' HA ' ' A' ' 88' ' ' HIS . 12.2 m -63.29 -22.92 31.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.274 -0.875 . . . . 1.32 110.878 178.548 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -80.37 -45.32 17.94 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.433 -0.803 . . . . 2.5 110.295 178.305 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -140.33 90.84 10.08 Favored Pre-proline 0 C--N 1.325 -0.499 0 CA-C-O 121.426 0.632 . . . . 2.39 109.765 179.378 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -72.78 -0.45 8.95 Favored 'Trans proline' 0 N--CA 1.464 -0.249 0 C-N-CA 123.359 2.706 . . . . 0.9 113.448 -175.492 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 36.4 p -93.93 -12.64 28.36 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.145 0.498 . . . . 1.47 110.863 178.221 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -100.79 54.71 0.86 Allowed 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.493 0.663 . . . . 1.59 109.914 176.116 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.445 HG12 HG12 ' A' ' 105' ' ' ILE . 8.3 m -71.64 161.03 4.96 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.607 0 CA-C-N 115.346 -0.843 . . . . 1.6 112.274 178.677 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -144.72 131.16 19.77 Favored 'General case' 0 C--N 1.313 -1.013 0 CA-C-N 114.669 -1.15 . . . . 2.78 108.95 178.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 115' ' ' THR . . . . . 0.56 ' O ' ' HG3' ' A' ' 129' ' ' MET . 39.7 m -123.72 118.62 27.64 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.328 0.585 . . . . 0.53 111.532 -171.72 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 116' ' ' TYR . . . . . 0.42 ' CD1' ' N ' ' A' ' 116' ' ' TYR . 2.1 m-85 -99.49 148.34 24.35 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 107.169 -1.419 . . . . 0.96 107.169 177.86 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 117' ' ' GLU . . . . . 0.484 ' HG2' HG22 ' A' ' 101' ' ' THR . 23.7 mt-10 -137.26 125.04 22.46 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 119.053 0.842 . . . . 1.27 108.809 -172.154 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 118' ' ' TYR . . . . . 0.476 ' HB2' ' HB3' ' A' ' 100' ' ' LEU . 53.0 m-85 -103.64 119.99 40.01 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.045 0.45 . . . . 0.6 111.267 -174.768 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 82.4 mtm180 -123.89 153.83 40.58 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.441 -0.8 . . . . 3.41 109.303 176.816 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 120' ' ' ARG . . . . . 0.541 HH21 ' HA ' ' A' ' 123' ' ' ASP . 9.0 tpt180 -111.35 129.93 55.84 Favored 'General case' 0 C--N 1.32 -0.677 0 C-N-CA 120.774 -0.371 . . . . 1.96 110.487 178.633 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -124.76 90.6 3.28 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.504 -0.554 . . . . 1.08 109.504 175.584 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 66.63 -106.41 1.62 Allowed Glycine 0 N--CA 1.445 -0.706 0 CA-C-N 115.559 -0.746 . . . . 0.92 111.769 -177.814 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 123' ' ' ASP . . . . . 0.541 ' HA ' HH21 ' A' ' 120' ' ' ARG . 8.4 p-10 -103.0 -1.59 29.02 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 120.677 0.275 . . . . 2.31 111.08 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -102.15 134.81 44.82 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.584 -0.28 . . . . 0.67 111.248 -177.361 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.467 ' HB3' ' HB2' ' A' ' 140' ' ' TYR . 3.4 tm? -85.59 112.05 20.61 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 107.051 -1.463 . . . . 1.03 107.051 168.365 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 58.8 t -98.25 103.31 14.54 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 CA-C-O 121.459 0.647 . . . . 0.47 110.092 -171.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 127' ' ' MET . . . . . 0.593 ' O ' ' HA ' ' A' ' 137' ' ' SER . 9.5 tpt -70.38 129.33 39.0 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-N 114.619 -1.173 . . . . 1.08 109.603 179.44 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 23.9 tptm -126.93 136.19 51.95 Favored 'General case' 0 C--N 1.315 -0.916 0 N-CA-C 109.193 -0.669 . . . . 2.2 109.193 178.462 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 129' ' ' MET . . . . . 0.56 ' HG3' ' O ' ' A' ' 115' ' ' THR . 20.8 ttp -160.74 140.73 11.1 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 109.107 -0.701 . . . . 1.11 109.107 178.309 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 20.9 t -142.95 147.79 35.8 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.442 0.639 . . . . 1.06 111.535 -176.818 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 131' ' ' TRP . . . . . . . . . . . . . 61.7 t-105 -154.72 133.98 12.5 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 114.843 -1.072 . . . . 0.76 109.488 176.651 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 11.8 ttmm 56.58 37.49 28.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 123.645 0.591 . . . . 1.96 111.536 178.686 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 82.34 -17.91 16.6 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 121.096 -0.574 . . . . 0.53 112.655 -179.299 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 134' ' ' VAL . . . . . 0.42 HG21 ' HB2' ' A' ' 25' ' ' ALA . 25.5 t -79.5 112.64 17.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 N-CA-C 110.145 -0.317 . . . . 0.43 110.145 -179.008 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -105.51 135.3 47.16 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 121.176 0.512 . . . . 1.14 111.407 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 7.2 t -127.2 152.82 46.86 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 115.782 -0.644 . . . . 0.4 110.476 178.615 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 137' ' ' SER . . . . . 0.593 ' HA ' ' O ' ' A' ' 127' ' ' MET . 52.4 m -142.98 130.4 21.09 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.146 -0.479 . . . . 0.79 110.665 176.485 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 138' ' ' ARG . . . . . 0.433 ' HA ' ' HA ' ' A' ' 16' ' ' ASP . 25.5 mtt180 -99.84 149.41 23.41 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.336 -0.616 . . . . 1.84 109.336 171.317 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 95.7 m-85 -109.09 100.62 9.76 Favored 'General case' 0 C--N 1.313 -0.996 0 N-CA-C 109.448 -0.575 . . . . 0.64 109.448 177.774 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 140' ' ' TYR . . . . . 0.467 ' HB2' ' HB3' ' A' ' 125' ' ' LEU . 51.6 m-85 -92.04 126.23 37.04 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.257 -0.883 . . . . 0.6 110.52 -175.266 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 141' ' ' LYS . . . . . 0.425 ' O ' ' N ' ' A' ' 12' ' ' LYS . 4.0 tppp? -89.35 155.79 19.12 Favored 'General case' 0 C--O 1.206 -1.201 0 N-CA-C 107.563 -1.273 . . . . 1.92 107.563 177.892 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -58.4 161.46 4.41 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 118.946 0.794 . . . . 2.13 109.95 166.566 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 143' ' ' GLN . . . . . 0.514 ' HA ' ' HG3' ' A' ' 12' ' ' LYS . 69.6 mm-40 . . . . . 0 C--O 1.246 0.87 0 O-C-N 121.491 -0.756 . . . . 1.46 112.014 167.747 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 17.1 m . . . . . 0 C--O 1.233 0.187 0 N-CA-C 109.968 -0.382 . . . . 0.99 109.968 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.75 ' HB2' ' CE1' ' A' ' 56' ' ' TYR . 3.2 mt -58.04 121.39 50.43 Favored Pre-proline 0 CA--C 1.516 -0.334 0 CA-C-O 120.696 0.284 . . . . 0.59 111.106 -177.372 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 4' ' ' PRO . . . . . 0.421 ' HD2' HD23 ' A' ' 3' ' ' LEU . 43.9 Cg_endo -73.79 140.11 28.61 Favored 'Trans proline' 0 N--CA 1.453 -0.873 0 C-N-CA 122.555 2.17 . . . . 0.61 110.811 173.869 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ASP . . . . . 0.497 ' HA ' HD12 ' A' ' 8' ' ' LEU . 5.8 p-10 -51.44 -24.39 4.93 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 115.289 -0.869 . . . . 2.19 112.646 -176.262 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.561 ' HD2' ' H ' ' A' ' 6' ' ' LYS . 3.3 mptp? -58.22 -29.86 66.05 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.26 0.467 . . . . 2.53 112.26 -179.643 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 35.1 m-85 -92.25 -1.9 56.81 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.46 -0.496 . . . . 0.6 111.416 -178.454 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.497 HD12 ' HA ' ' A' ' 5' ' ' ASP . 98.8 mt -96.36 150.77 20.21 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.401 0.62 . . . . 0.46 112.029 -170.306 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 125.34 164.83 11.94 Favored Glycine 0 N--CA 1.442 -0.915 0 CA-C-N 114.876 -1.056 . . . . 0.52 111.437 -177.756 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.402 HG23 ' HG2' ' A' ' 44' ' ' LYS . 91.3 m -91.5 123.75 35.15 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 109.385 -0.598 . . . . 1.05 109.385 174.457 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.425 ' HA ' ' HA ' ' A' ' 142' ' ' LYS . 74.0 m-85 -116.51 129.58 56.28 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.404 -0.362 . . . . 0.47 111.234 -175.549 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.568 ' HB3' ' CD ' ' A' ' 143' ' ' GLN . 13.2 ptmm? -91.19 134.4 34.58 Favored 'General case' 0 C--O 1.234 0.289 0 C-N-CA 120.052 -0.659 . . . . 2.19 110.355 172.47 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.403 HD11 ' CZ ' ' A' ' 138' ' ' ARG . 3.6 tt -58.38 124.93 21.21 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 108.981 -0.748 . . . . 1.14 108.981 172.482 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.403 ' HA ' ' OE2' ' A' ' 14' ' ' GLU . 3.5 tp10 -101.68 -45.29 5.3 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.96 0.41 . . . . 2.08 110.511 -178.482 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 8.4 ptp180 -158.65 176.73 12.02 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.118 -0.492 . . . . 3.36 109.947 -178.881 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.439 ' HA ' ' HA ' ' A' ' 138' ' ' ARG . 6.8 p30 -148.49 165.65 30.53 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.981 0.42 . . . . 1.19 111.401 178.115 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -146.28 124.31 12.09 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.646 -0.706 . . . . 2.66 110.776 -174.737 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 57.6 t30 69.89 23.12 5.64 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-O 121.632 0.729 . . . . 0.76 111.019 174.606 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 26.0 t80 -76.72 -37.19 56.49 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.662 -0.699 . . . . 0.49 110.99 -174.226 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -60.02 -47.12 87.14 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 110.3 -0.259 . . . . 2.04 110.3 177.36 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -55.27 -42.75 73.95 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 116.395 -0.366 . . . . 1.79 111.269 176.314 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 80.7 t80 -59.46 -40.81 88.08 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.268 -0.424 . . . . 0.57 110.67 176.176 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.494 HD13 ' HA ' ' A' ' 33' ' ' ARG . 84.9 mt -67.14 -38.1 84.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.914 0.388 . . . . 0.37 110.586 -177.679 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 25.8 mtpp -61.34 -51.08 70.34 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.969 -0.56 . . . . 1.88 109.944 176.494 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.35 -38.9 88.63 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.134 -0.939 . . . . 0.44 110.929 178.41 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 13.0 tpt180 -71.55 -9.03 57.59 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.073 -0.512 . . . . 1.29 111.233 -177.05 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 99.67 30.38 6.52 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.518 -0.849 . . . . 0.62 113.58 173.42 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 71.5 m-85 -107.45 117.03 33.03 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.283 0.563 . . . . 0.64 109.995 176.068 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -65.84 -64.06 3.65 Favored Glycine 0 C--O 1.228 -0.275 0 CA-C-N 114.746 -1.116 . . . . 1.54 114.078 -173.066 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 86.1 t90 -156.89 -60.17 0.09 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 117.316 0.558 . . . . 1.18 111.306 -177.534 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 1.1 mm -51.63 -50.63 29.95 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.202 0 CA-C-O 120.977 0.418 . . . . 2.16 111.748 -178.217 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.644 ' O ' HG13 ' A' ' 36' ' ' ILE . 63.9 mmm -57.99 -38.99 77.12 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.843 -0.617 . . . . 0.97 111.462 179.227 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.628 ' O ' ' HG2' ' A' ' 37' ' ' LYS . 11.5 mtm180 -63.5 -26.56 68.77 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.974 0.416 . . . . 1.87 110.081 -179.64 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 84.9 mm-40 -77.89 -22.06 50.32 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.819 -0.628 . . . . 1.97 110.455 -179.645 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.421 ' CG1' ' HG3' ' A' ' 64' ' ' LYS . 50.8 t -89.69 -65.16 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-O 121.205 0.526 . . . . 0.68 110.69 176.144 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.644 HG13 ' O ' ' A' ' 32' ' ' MET . 26.4 mt -46.35 -49.91 5.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 N-CA-C 114.819 1.414 . . . . 0.51 114.819 -172.593 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.628 ' HG2' ' O ' ' A' ' 33' ' ' ARG . 46.6 pttt -82.53 -3.13 55.43 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 119.554 -0.858 . . . . 0.97 111.842 -174.279 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.504 HD22 ' HG3' ' A' ' 37' ' ' LYS . 4.6 mm? -96.25 -5.56 40.03 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.926 0.393 . . . . 2.08 110.512 178.245 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -81.16 108.23 14.64 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.117 -0.492 . . . . 1.03 111.122 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -82.18 61.26 4.72 Favored Glycine 0 N--CA 1.45 -0.39 0 CA-C-N 116.006 -0.543 . . . . 0.84 112.202 179.342 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.625 ' HB ' HG22 ' A' ' 62' ' ' THR . 2.7 p -53.53 144.68 4.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 N-CA-C 113.684 0.994 . . . . 1.3 113.684 179.224 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 37.8 m -117.09 127.89 54.59 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 114.568 -1.196 . . . . 0.45 108.905 176.074 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.498 ' HE2' ' SD ' ' A' ' 127' ' ' MET . 48.4 mttp -104.14 139.83 38.66 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.792 0.329 . . . . 0.79 110.83 -176.613 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.666 ' O ' ' HA ' ' A' ' 58' ' ' MET . 57.7 mtpt -125.34 106.71 10.04 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.145 -0.479 . . . . 1.96 111.292 -175.695 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.534 ' HZ ' ' CD1' ' A' ' 118' ' ' TYR . 56.6 m-85 -101.25 118.43 36.97 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.587 -0.523 . . . . 0.54 109.587 175.406 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 9.9 ptm180 -151.45 172.26 16.25 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 120.603 0.24 . . . . 3.17 111.229 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ASN . . . . . 0.472 ' HA ' ' CD2' ' A' ' 56' ' ' TYR . 33.1 m-80 -58.62 159.69 6.32 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.558 -0.746 . . . . 1.85 109.628 172.166 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.12 151.87 11.55 Favored 'General case' 0 CA--C 1.519 -0.219 0 N-CA-C 112.426 0.528 . . . . 0.87 112.426 -172.689 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -50.38 -60.46 2.97 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.711 -0.677 . . . . 1.48 110.984 -179.588 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 74.0 m -77.98 21.45 0.32 Allowed 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 112.965 0.728 . . . . 2.37 112.965 -178.166 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 62.04 37.53 94.59 Favored Glycine 0 CA--C 1.518 0.278 0 C-N-CA 121.115 -0.564 . . . . 1.91 113.815 176.59 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 5.8 mptp? -84.2 133.91 44.35 Favored Pre-proline 0 C--N 1.324 -0.531 0 N-CA-C 109.91 -0.404 . . . . 3.17 109.91 177.287 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.42 ' O ' ' HB2' ' A' ' 54' ' ' ASP . 67.5 Cg_endo -71.45 140.63 36.92 Favored 'Trans proline' 0 C--O 1.238 0.506 0 C-N-CA 122.605 2.203 . . . . 1.84 112.559 -178.439 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.42 ' HB2' ' O ' ' A' ' 53' ' ' PRO . 21.6 m-20 76.09 -38.86 0.35 Allowed 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 123.882 0.873 . . . . 2.44 110.857 179.452 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.412 ' HG2' ' HB2' ' A' ' 73' ' ' ALA . 60.8 mtp85 -72.3 143.03 48.85 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.254 0.549 . . . . 4.1 110.766 170.691 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.75 ' CE1' ' HB2' ' A' ' 3' ' ' LEU . 78.3 m-85 -128.92 -177.64 4.29 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.95 -0.568 . . . . 0.97 110.937 -177.132 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.44 ' OD2' ' HA ' ' A' ' 70' ' ' LYS . 11.0 t70 -137.58 143.09 41.35 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.042 -0.725 . . . . 1.1 109.042 -177.848 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.666 ' HA ' ' O ' ' A' ' 44' ' ' LYS . 1.3 tmm? -144.88 124.27 13.08 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.93 0.395 . . . . 0.98 110.815 -177.737 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -116.06 152.89 32.7 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.182 0.515 . . . . 1.11 111.986 -179.464 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.497 ' HB2' ' OG1' ' A' ' 67' ' ' THR . 49.2 m-80 -126.25 91.64 3.41 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.273 -0.876 . . . . 1.17 109.222 174.205 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.487 ' O ' ' HA ' ' A' ' 41' ' ' VAL . 3.8 mm? -85.61 111.7 20.31 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 109.653 -0.499 . . . . 1.67 109.653 179.549 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.625 HG22 ' HB ' ' A' ' 41' ' ' VAL . 3.8 p -116.69 -167.6 1.32 Allowed 'General case' 0 N--CA 1.443 -0.781 0 N-CA-C 109.882 -0.414 . . . . 0.45 109.882 -175.407 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 80.6 p -97.08 -31.86 12.27 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-O 120.989 0.423 . . . . 0.54 110.947 -176.606 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.421 ' HG3' ' CG1' ' A' ' 35' ' ' VAL . 48.6 mmtm -112.95 2.84 15.97 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.08 -0.509 . . . . 2.24 110.877 -177.595 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.447 ' O ' ' HB3' ' A' ' 66' ' ' ASP . 5.4 mmtt -153.68 -153.31 0.46 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.157 -0.474 . . . . 1.82 110.438 -176.571 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.447 ' HB3' ' O ' ' A' ' 65' ' ' LYS . 5.6 p-10 160.58 126.3 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 114.754 -1.112 . . . . 2.12 108.416 -174.018 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.497 ' OG1' ' HB2' ' A' ' 60' ' ' ASN . 67.6 p -133.4 152.22 51.9 Favored 'General case' 0 C--N 1.314 -0.955 0 N-CA-C 109.74 -0.467 . . . . 0.56 109.74 178.676 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 9.6 t-160 -140.44 98.27 3.39 Favored 'General case' 0 C--N 1.317 -0.832 0 N-CA-C 109.859 -0.423 . . . . 1.95 109.859 -177.168 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 14.8 m-70 -73.74 83.51 1.62 Allowed 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 108.03 -1.1 . . . . 0.39 108.03 173.374 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.44 ' HA ' ' OD2' ' A' ' 57' ' ' ASP . 10.5 ptpt -82.38 109.95 17.09 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.605 -0.725 . . . . 2.3 112.451 -172.009 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 7.0 t70 63.69 75.27 0.39 Allowed 'General case' 0 C--O 1.238 0.47 0 CA-C-N 114.69 -1.141 . . . . 2.07 111.395 173.604 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' TRP . . . . . 0.428 ' HE1' ' HB2' ' A' ' 58' ' ' MET . 69.4 p-90 -118.91 158.32 25.94 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.61 -0.723 . . . . 0.43 110.275 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.528 ' O ' ' HB3' ' A' ' 76' ' ' GLU . . . -120.04 149.14 42.66 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 110.148 -0.316 . . . . 0.55 110.148 174.642 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.588 HD13 ' H ' ' A' ' 74' ' ' LEU . 0.0 OUTLIER -64.79 144.11 57.48 Favored 'General case' 0 C--N 1.32 -0.707 0 C-N-CA 119.918 -0.713 . . . . 1.71 109.534 168.73 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 79.91 1.85 87.85 Favored Glycine 0 C--N 1.314 -0.676 0 CA-C-N 115.335 -0.848 . . . . 0.59 111.841 -171.056 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.528 ' HB3' ' O ' ' A' ' 73' ' ' ALA . 8.7 tp10 -106.3 153.25 22.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.402 0.62 . . . . 2.37 110.933 -176.332 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -125.54 108.97 12.12 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 114.768 -1.105 . . . . 1.4 108.413 -179.547 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 47.9 p90 -119.01 156.31 29.86 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-O 120.857 0.36 . . . . 0.57 111.001 -173.803 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 -91.8 139.28 30.82 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.226 -0.657 . . . . 1.95 109.226 175.039 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 43.2 t0 -165.28 167.69 17.68 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.112 -0.699 . . . . 1.26 109.112 -175.5 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.451 ' HA ' ' HA ' ' A' ' 87' ' ' GLN . 39.6 tt0 -103.15 113.81 27.59 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.006 -0.738 . . . . 2.13 109.006 178.81 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -85.24 175.69 8.79 Favored 'General case' 0 C--N 1.311 -1.084 0 CA-C-N 114.954 -1.021 . . . . 0.95 111.882 -174.596 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.445 HD22 HG21 ' A' ' 62' ' ' THR . 68.1 mt -63.93 -17.7 63.5 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.774 -0.648 . . . . 1.34 110.999 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.401 ' O ' ' HB3' ' A' ' 85' ' ' SER . 2.6 p30 -74.33 7.9 2.55 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.371 -0.831 . . . . 1.55 112.312 -179.717 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.401 ' HB3' ' O ' ' A' ' 84' ' ' ASP . 48.2 t 75.83 -2.33 2.79 Favored 'General case' 0 N--CA 1.467 0.407 0 N-CA-C 112.539 0.57 . . . . 1.21 112.539 172.92 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 13.6 p -119.56 165.52 14.32 Favored 'General case' 0 C--N 1.321 -0.63 0 O-C-N 121.959 -0.463 . . . . 0.93 110.272 175.448 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' GLN . . . . . 0.451 ' HA ' ' HA ' ' A' ' 81' ' ' GLU . 7.3 pt20 -115.89 132.21 56.71 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.48 0.657 . . . . 1.88 110.171 -179.842 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' HIS . . . . . 0.629 ' HB2' ' O ' ' A' ' 105' ' ' ILE . 9.2 p80 -154.53 -174.69 5.07 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 114.748 -1.114 . . . . 1.04 109.723 -171.76 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.554 ' CG ' ' HB ' ' A' ' 105' ' ' ILE . 17.7 ptpt -80.29 147.91 30.96 Favored 'General case' 0 N--CA 1.448 -0.55 0 C-N-CA 120.404 -0.518 . . . . 1.49 109.73 179.497 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 71.4 mt -140.59 132.86 31.51 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.969 0 CA-C-N 115.455 -0.793 . . . . 0.54 109.739 178.291 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 52.6 m -116.59 129.81 56.38 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-O 121.134 0.493 . . . . 0.43 111.312 -179.69 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.422 ' CE1' ' HG3' ' A' ' 102' ' ' GLU . 8.4 m-85 -109.05 134.85 51.13 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 108.041 -1.096 . . . . 0.6 108.041 174.348 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -154.53 139.4 17.19 Favored 'General case' 0 C--N 1.315 -0.912 0 C-N-CA 120.613 -0.435 . . . . 1.69 110.518 -178.229 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.417 HD22 ' HG ' ' A' ' 100' ' ' LEU . 1.4 mm? -80.39 109.21 14.67 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 109.107 -0.701 . . . . 1.12 109.107 175.909 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 83.0 tttt -85.44 -55.23 4.11 Favored 'General case' 0 C--N 1.317 -0.821 0 N-CA-C 108.592 -0.892 . . . . 3.03 108.592 -173.787 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 43.7 m-20 -133.99 164.06 46.68 Favored Pre-proline 0 C--N 1.318 -0.782 0 N-CA-C 107.797 -1.186 . . . . 1.79 107.797 174.192 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_exo -67.18 4.89 1.01 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.829 2.353 . . . . 0.98 112.511 -178.278 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 5.0 p-10 -136.18 14.35 3.28 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.969 -0.56 . . . . 2.32 110.441 177.319 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 85.9 m -152.13 112.57 4.11 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-O 121.471 0.653 . . . . 0.56 112.268 -178.891 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.475 HD12 HD21 ' A' ' 3' ' ' LEU . 0.8 OUTLIER -93.95 139.31 31.07 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.903 -1.147 . . . . 1.1 107.903 173.327 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.497 HG22 ' HG2' ' A' ' 117' ' ' GLU . 17.3 p -112.95 133.86 54.72 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 119.255 0.934 . . . . 0.41 111.817 -178.848 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.427 ' CD ' ' HE2' ' A' ' 104' ' ' HIS . 30.5 tt0 -120.22 109.04 14.94 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.69 -0.686 . . . . 1.31 109.694 174.752 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 91.0 m -107.4 123.51 48.48 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.235 0.541 . . . . 0.51 110.932 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' HIS . . . . . 0.542 ' HB3' ' CE1' ' A' ' 88' ' ' HIS . 3.8 m170 -96.89 122.66 40.1 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.477 -0.783 . . . . 1.69 108.94 177.271 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.629 ' O ' ' HB2' ' A' ' 88' ' ' HIS . 47.0 mt -122.96 119.37 57.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 120.905 0.383 . . . . 0.75 110.217 174.005 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.511 ' HA ' ' CB ' ' A' ' 88' ' ' HIS . 55.7 mtpt -64.36 118.13 8.25 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.744 -0.662 . . . . 1.61 111.408 179.214 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.53 HG22 ' HA ' ' A' ' 88' ' ' HIS . 6.8 m -63.7 -18.34 22.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.466 -0.788 . . . . 1.32 111.424 176.568 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -90.25 -41.8 11.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.117 -0.492 . . . . 2.5 110.619 177.701 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' ASP . . . . . 0.504 ' O ' ' HB2' ' A' ' 106' ' ' LYS . 5.8 m-20 -138.49 88.94 14.1 Favored Pre-proline 0 C--N 1.326 -0.454 0 CA-C-N 116.166 -0.47 . . . . 2.39 110.547 176.922 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -70.62 3.5 3.14 Favored 'Trans proline' 0 C--O 1.234 0.3 0 C-N-CA 123.29 2.66 . . . . 0.9 112.883 -178.403 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 34.3 p -80.28 -28.31 38.38 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-O 121.246 0.546 . . . . 1.47 109.556 173.477 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -92.33 114.95 27.63 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.549 -0.75 . . . . 1.59 109.132 174.725 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.604 HG12 HG12 ' A' ' 105' ' ' ILE . 2.8 m -123.37 178.32 3.42 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.02 0 CA-C-N 115.909 -0.587 . . . . 1.6 109.821 -177.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -170.68 119.25 0.53 Allowed 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 109.834 -0.432 . . . . 2.78 109.834 -178.603 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 89.4 m -123.57 123.94 41.7 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.399 0.618 . . . . 0.53 111.939 -174.664 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 116' ' ' TYR . . . . . 0.44 ' HA ' ' O ' ' A' ' 128' ' ' LYS . 2.5 m-30 -99.17 156.93 16.71 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 107.201 -1.407 . . . . 0.96 107.201 171.395 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 117' ' ' GLU . . . . . 0.497 ' HG2' HG22 ' A' ' 101' ' ' THR . 36.7 mt-10 -133.21 122.48 24.03 Favored 'General case' 0 N--CA 1.444 -0.754 0 N-CA-C 107.146 -1.427 . . . . 1.27 107.146 172.811 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 118' ' ' TYR . . . . . 0.534 ' CD1' ' HZ ' ' A' ' 45' ' ' PHE . 73.9 m-85 -88.12 104.61 16.85 Favored 'General case' 0 C--N 1.316 -0.866 0 N-CA-C 109.283 -0.636 . . . . 0.6 109.283 -179.716 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 119' ' ' ARG . . . . . 0.411 ' NH1' ' HD3' ' A' ' 128' ' ' LYS . 17.2 ptt180 -115.8 149.88 37.83 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.835 -0.432 . . . . 3.41 109.835 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 120' ' ' ARG . . . . . 0.545 ' NH2' ' HA ' ' A' ' 123' ' ' ASP . 10.0 mmm180 -100.54 136.01 41.08 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.94 0.4 . . . . 1.96 111.464 -178.623 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -133.46 89.09 2.55 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.764 -0.653 . . . . 1.08 109.36 174.611 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 77.25 -109.69 2.85 Favored Glycine 0 N--CA 1.446 -0.645 0 CA-C-N 115.698 -0.683 . . . . 0.92 111.395 -176.751 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 123' ' ' ASP . . . . . 0.545 ' HA ' ' NH2' ' A' ' 120' ' ' ARG . 15.8 m-20 -109.84 10.37 24.52 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.091 0.472 . . . . 2.31 110.574 177.704 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -108.18 139.48 42.8 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.036 -0.529 . . . . 0.67 111.47 -175.259 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.454 ' O ' ' HB2' ' A' ' 140' ' ' TYR . 3.2 tm? -92.72 118.84 31.49 Favored 'General case' 0 N--CA 1.447 -0.606 0 N-CA-C 107.24 -1.392 . . . . 1.03 107.24 172.209 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 44.0 t -108.6 122.78 63.67 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.928 0 C-N-CA 120.327 -0.549 . . . . 0.47 110.671 -170.576 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 127' ' ' MET . . . . . 0.498 ' SD ' ' HE2' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -79.15 123.99 27.9 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.329 -0.851 . . . . 1.08 110.119 178.636 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 128' ' ' LYS . . . . . 0.552 ' HE2' ' OG ' ' A' ' 130' ' ' SER . 18.5 tptm -113.36 111.43 21.97 Favored 'General case' 0 C--N 1.317 -0.811 0 N-CA-C 109.347 -0.612 . . . . 2.2 109.347 177.498 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 129' ' ' MET . . . . . 0.493 ' HB2' ' CG2' ' A' ' 136' ' ' THR . 59.1 mtp -128.56 129.03 45.39 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.508 -0.553 . . . . 1.11 109.508 -179.821 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 130' ' ' SER . . . . . 0.552 ' OG ' ' HE2' ' A' ' 128' ' ' LYS . 2.3 m -132.29 134.95 45.86 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.176 0.512 . . . . 1.06 111.005 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 131' ' ' TRP . . . . . . . . . . . . . 42.6 t-105 -148.91 129.46 13.98 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.269 -0.878 . . . . 0.76 109.687 176.575 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 68.5 mttm 54.37 38.61 29.84 Favored 'General case' 0 C--N 1.327 -0.389 0 O-C-N 123.664 0.603 . . . . 1.96 111.207 -178.339 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 82.88 -10.49 57.21 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.998 -0.62 . . . . 0.53 113.096 179.418 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 134' ' ' VAL . . . . . 0.508 ' O ' ' HA ' ' A' ' 130' ' ' SER . 8.2 t -86.86 108.34 17.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.753 0.277 . . . . 0.43 110.416 -178.915 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -102.36 126.71 49.46 Favored 'General case' 0 N--CA 1.445 -0.681 0 CA-C-O 121.506 0.67 . . . . 1.14 111.362 177.419 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 136' ' ' THR . . . . . 0.493 ' CG2' ' HB2' ' A' ' 129' ' ' MET . 5.1 t -114.38 135.73 53.77 Favored 'General case' 0 C--N 1.312 -1.03 0 CA-C-N 115.155 -0.929 . . . . 0.4 109.792 178.747 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 137' ' ' SER . . . . . 0.462 ' HA ' ' O ' ' A' ' 127' ' ' MET . 14.8 m -115.08 108.59 16.86 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.102 -0.499 . . . . 0.79 110.011 178.048 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 138' ' ' ARG . . . . . 0.443 ' HB2' ' HB3' ' A' ' 127' ' ' MET . 44.9 mtp180 -99.14 128.46 45.28 Favored 'General case' 0 C--N 1.319 -0.717 0 N-CA-C 109.244 -0.65 . . . . 1.84 109.244 178.456 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 91.1 m-85 -97.25 113.22 24.8 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 121.079 0.466 . . . . 0.64 111.301 -170.722 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 140' ' ' TYR . . . . . 0.454 ' HB2' ' O ' ' A' ' 125' ' ' LEU . 24.1 m-85 -104.71 135.1 46.72 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.52 -0.764 . . . . 0.6 109.585 177.166 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 141' ' ' LYS . . . . . 0.407 ' O ' ' N ' ' A' ' 12' ' ' LYS . 12.5 ptpt -109.11 169.2 8.84 Favored 'General case' 0 C--N 1.312 -1.038 0 N-CA-C 107.625 -1.25 . . . . 1.92 107.625 171.546 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 142' ' ' LYS . . . . . 0.489 ' O ' ' HG2' ' A' ' 12' ' ' LYS . 61.7 tttm -53.14 164.0 0.48 Allowed 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 118.599 0.636 . . . . 2.13 111.421 171.912 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 143' ' ' GLN . . . . . 0.568 ' CD ' ' HB3' ' A' ' 12' ' ' LYS . 16.9 mm-40 . . . . . 0 C--O 1.249 1.054 0 O-C-N 121.349 -0.844 . . . . 1.46 109.375 159.593 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.0 m . . . . . 0 N--CA 1.448 -0.573 0 CA-C-O 120.791 0.329 . . . . 0.99 110.335 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.632 ' HB2' ' CE1' ' A' ' 56' ' ' TYR . 0.5 OUTLIER -65.23 121.39 74.22 Favored Pre-proline 0 C--N 1.323 -0.551 0 CA-C-N 115.759 -0.655 . . . . 0.59 110.173 179.675 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 4' ' ' PRO . . . . . 0.433 ' HD2' HD23 ' A' ' 3' ' ' LEU . 25.4 Cg_exo -61.12 136.88 67.77 Favored 'Trans proline' 0 N--CA 1.46 -0.471 0 C-N-CA 122.58 2.187 . . . . 0.61 111.068 174.22 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ASP . . . . . 0.67 ' HA ' HD12 ' A' ' 8' ' ' LEU . 4.7 m-20 -58.42 -21.46 50.9 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 115.88 -0.6 . . . . 2.19 111.022 -178.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 48.4 tttm -55.12 -33.84 63.2 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 115.542 -0.754 . . . . 2.53 112.164 175.155 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 70.6 m-85 -90.19 -2.04 58.01 Favored 'General case' 0 C--N 1.331 -0.199 0 O-C-N 121.934 -0.479 . . . . 0.6 110.905 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.67 HD12 ' HA ' ' A' ' 5' ' ' ASP . 90.4 mt -98.32 166.14 11.53 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.477 0.656 . . . . 0.46 111.773 -172.512 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 117.79 -162.73 12.95 Favored Glycine 0 N--CA 1.446 -0.689 0 CA-C-N 114.943 -1.026 . . . . 0.52 111.263 179.184 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.557 ' O ' ' HA ' ' A' ' 142' ' ' LYS . 14.9 t -130.17 140.24 50.78 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-O 121.115 0.484 . . . . 1.05 110.115 174.923 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.488 ' HA ' ' HA ' ' A' ' 142' ' ' LYS . 51.3 m-85 -131.08 132.43 44.87 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 115.724 -0.671 . . . . 0.47 111.229 -176.35 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.466 ' HB3' ' NE2' ' A' ' 143' ' ' GLN . 2.9 ptpp? -91.04 137.01 32.69 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 120.453 -0.499 . . . . 2.19 110.018 170.638 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.55 HD11 ' NH2' ' A' ' 138' ' ' ARG . 5.1 tt -54.5 119.72 5.64 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.696 -0.684 . . . . 1.14 110.675 175.126 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -90.81 -55.24 3.64 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.829 -0.434 . . . . 2.08 109.829 174.837 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 6.5 ptm180 -164.9 -171.47 2.27 Favored 'General case' 0 CA--C 1.529 0.157 0 CA-C-N 116.387 -0.369 . . . . 3.36 110.691 -177.899 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -159.52 170.83 20.84 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.203 -0.453 . . . . 1.19 110.427 177.266 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -139.56 127.72 22.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.392 -0.367 . . . . 2.66 110.413 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 64.7 t30 70.9 23.07 4.45 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-O 122.043 0.925 . . . . 0.76 110.994 176.244 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.4 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 28.9 t80 -72.09 -42.02 66.65 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.175 -0.92 . . . . 0.49 111.154 -174.258 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.563 ' OD1' ' HE2' ' A' ' 24' ' ' LYS . 21.3 t70 -53.12 -53.81 44.91 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 116.4 -0.363 . . . . 2.04 111.463 177.862 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -59.29 -36.47 75.64 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-N 116.111 -0.495 . . . . 1.79 111.549 -179.602 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 84.0 t80 -60.79 -38.4 85.17 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-O 120.804 0.335 . . . . 0.57 110.898 175.86 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.4 ' HG ' ' O ' ' A' ' 19' ' ' PHE . 84.5 mt -66.64 -36.88 83.63 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.784 0.326 . . . . 0.37 110.399 -179.085 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.563 ' HE2' ' OD1' ' A' ' 20' ' ' ASP . 68.0 mttm -63.13 -43.51 98.19 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.371 0.605 . . . . 1.88 109.633 176.46 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.71 -44.72 96.24 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 114.982 -1.008 . . . . 0.44 111.32 179.03 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 15.6 mmm180 -70.61 -10.39 59.19 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.325 -0.398 . . . . 1.29 111.838 -178.172 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 91.92 24.13 25.97 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.57 -0.824 . . . . 0.62 112.573 177.412 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 62.9 m-85 -89.68 122.21 32.58 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.798 -0.445 . . . . 0.64 109.798 177.082 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.478 ' O ' ' HG3' ' A' ' 33' ' ' ARG . . . -75.0 -175.75 36.51 Favored Glycine 0 N--CA 1.443 -0.861 0 CA-C-N 115.375 -0.83 . . . . 1.54 112.699 -176.483 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.461 ' O ' ' HG2' ' A' ' 34' ' ' GLN . 90.4 t90 -53.88 -51.61 63.1 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 122.478 0.311 . . . . 1.18 111.391 -175.234 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.432 HD13 ' HA ' ' A' ' 31' ' ' ILE . 1.0 OUTLIER -55.47 -53.16 39.12 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.139 0 CA-C-N 116.406 -0.361 . . . . 2.16 111.859 -179.41 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.611 ' O ' HG13 ' A' ' 36' ' ' ILE . 52.2 mmm -56.99 -43.94 82.24 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.324 -0.398 . . . . 0.97 111.354 179.85 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.478 ' HG3' ' O ' ' A' ' 29' ' ' GLY . 71.9 mtm-85 -62.36 -30.78 71.43 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 120.941 -0.304 . . . . 1.87 110.928 -179.322 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.57 ' O ' HD23 ' A' ' 38' ' ' LEU . 10.3 mm100 -72.58 -26.33 61.67 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.934 0.397 . . . . 1.97 110.403 178.45 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.46 HG13 ' HG3' ' A' ' 64' ' ' LYS . 83.6 t -83.92 -63.76 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 116.173 -0.467 . . . . 0.68 110.717 176.623 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.611 HG13 ' O ' ' A' ' 32' ' ' MET . 33.1 mt -48.91 -41.03 12.89 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.394 0 C-N-CA 123.976 0.91 . . . . 0.51 113.417 -176.519 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 56.5 mtmt -74.5 -24.24 58.97 Favored 'General case' 0 N--CA 1.466 0.342 0 O-C-N 122.058 -0.401 . . . . 0.97 112.055 -176.856 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.57 HD23 ' O ' ' A' ' 34' ' ' GLN . 3.9 mm? -103.84 3.3 33.71 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.79 0.328 . . . . 2.08 111.33 -174.022 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -89.83 120.1 30.78 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 120.898 0.38 . . . . 1.03 110.739 -179.713 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.449 ' O ' ' HA ' ' A' ' 62' ' ' THR . . . -72.93 143.55 33.63 Favored Glycine 0 N--CA 1.445 -0.753 0 N-CA-C 110.852 -0.899 . . . . 0.84 110.852 174.681 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.405 HG22 HG22 ' A' ' 62' ' ' THR . 45.9 t -127.86 133.49 67.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-O 121.109 0.48 . . . . 1.3 111.272 -173.747 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 99.5 m -114.17 115.76 28.0 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.598 -0.728 . . . . 0.45 110.54 174.58 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.434 ' O ' ' HA ' ' A' ' 10' ' ' THR . 74.8 mmtt -87.97 136.78 32.81 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.311 -0.626 . . . . 0.79 109.311 176.047 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.512 ' O ' ' HA ' ' A' ' 58' ' ' MET . 28.0 mtpp -137.42 103.48 5.08 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.741 0.305 . . . . 1.96 111.196 -179.639 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.481 ' HB3' HD23 ' A' ' 8' ' ' LEU . 79.5 m-85 -107.07 118.48 36.81 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.845 -0.616 . . . . 0.54 109.645 176.476 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.439 HH11 ' HD3' ' A' ' 46' ' ' ARG . 1.6 ptm180 -146.4 167.74 22.86 Favored 'General case' 0 C--N 1.32 -0.696 0 C-N-CA 121.015 -0.274 . . . . 3.17 111.225 -179.457 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 48.6 m-80 -54.26 147.15 13.81 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.691 -0.686 . . . . 1.85 109.373 172.498 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.478 ' O ' ' N ' ' A' ' 50' ' ' SER . . . -62.93 105.22 0.64 Allowed 'General case' 0 CA--C 1.51 -0.569 0 N-CA-C 112.809 0.67 . . . . 0.87 112.809 -170.808 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 55.32 -72.35 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.553 0 O-C-N 124.927 1.392 . . . . 1.48 113.85 167.736 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.478 ' N ' ' O ' ' A' ' 48' ' ' ALA . 42.4 m -80.93 -24.85 37.9 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.909 -0.587 . . . . 2.37 110.234 -176.536 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 115.04 33.35 1.67 Allowed Glycine 0 N--CA 1.447 -0.598 0 CA-C-N 115.55 -0.75 . . . . 1.91 111.34 -178.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -89.28 143.89 31.58 Favored Pre-proline 0 N--CA 1.444 -0.765 0 CA-C-N 115.33 -0.435 . . . . 3.17 110.218 -175.622 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.442 ' C ' ' H ' ' A' ' 55' ' ' ARG . 98.5 Cg_endo -88.34 167.17 6.49 Favored 'Trans proline' 0 N--CA 1.457 -0.628 0 C-N-CA 122.721 2.28 . . . . 1.84 112.492 178.199 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 36.5 m-20 69.91 -3.86 1.62 Allowed 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 123.402 0.681 . . . . 2.44 111.051 176.734 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.442 ' H ' ' C ' ' A' ' 53' ' ' PRO . 11.2 mtt180 -148.5 131.7 16.43 Favored 'General case' 0 N--CA 1.444 -0.73 0 N-CA-C 107.732 -1.21 . . . . 4.1 107.732 173.456 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.632 ' CE1' ' HB2' ' A' ' 3' ' ' LEU . 80.4 m-85 -129.56 175.5 8.74 Favored 'General case' 0 C--N 1.314 -0.976 0 CA-C-O 121.343 0.592 . . . . 0.97 111.945 -169.709 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.47 ' OD2' ' HA ' ' A' ' 70' ' ' LYS . 14.7 t70 -124.45 137.29 54.45 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 114.852 -1.067 . . . . 1.1 109.027 -177.427 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.512 ' HA ' ' O ' ' A' ' 44' ' ' LYS . 9.9 tpt -137.75 128.0 26.15 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.953 0.406 . . . . 0.98 110.597 -175.756 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.535 ' HG3' ' O ' ' A' ' 67' ' ' THR . 39.1 tt0 -131.92 143.43 50.12 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 116.164 -0.471 . . . . 1.11 111.139 -175.642 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.478 ' HB2' ' OG1' ' A' ' 67' ' ' THR . 37.3 m-80 -122.84 90.47 3.3 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 108.957 -0.757 . . . . 1.17 108.957 178.368 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 61.9 tp -88.97 123.48 33.34 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 109.5 -0.556 . . . . 1.67 109.5 179.623 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.449 ' HA ' ' O ' ' A' ' 40' ' ' GLY . 38.8 p -128.94 -173.0 2.86 Favored 'General case' 0 N--CA 1.442 -0.859 0 N-CA-C 109.742 -0.466 . . . . 0.45 109.742 -176.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 33.9 p -81.43 -24.69 36.72 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-O 121.206 0.527 . . . . 0.54 111.202 -177.794 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.46 ' HG3' HG13 ' A' ' 35' ' ' VAL . 30.9 mmmt -114.96 -24.13 8.76 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.937 -0.574 . . . . 2.24 111.901 -174.908 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.563 ' HE2' ' O ' ' A' ' 83' ' ' LEU . 29.8 mmmt -130.85 -156.62 0.77 Allowed 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.434 0.635 . . . . 1.82 112.607 -168.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.458 ' H ' ' HB3' ' A' ' 65' ' ' LYS . 13.3 t70 173.33 142.4 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 114.228 -1.351 . . . . 2.12 109.036 -171.318 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.535 ' O ' ' HG3' ' A' ' 59' ' ' GLU . 5.3 p -152.1 136.92 17.11 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 108.54 -0.911 . . . . 0.56 108.54 173.654 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 8.1 t-160 -131.63 84.3 2.16 Favored 'General case' 0 C--N 1.316 -0.89 0 C-N-CA 120.459 -0.496 . . . . 1.95 109.724 -176.897 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 17.2 m-70 -73.04 85.73 1.31 Allowed 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 108.701 -0.852 . . . . 0.39 108.701 177.895 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.47 ' HA ' ' OD2' ' A' ' 57' ' ' ASP . 14.6 ptpt -89.65 122.92 33.24 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 120.992 0.425 . . . . 2.3 112.12 -175.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.434 ' OD1' ' HD3' ' A' ' 55' ' ' ARG . 38.9 t70 65.75 75.05 0.36 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 114.933 -1.031 . . . . 2.07 111.209 173.591 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 65.3 p-90 -128.32 159.02 36.59 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.791 -0.641 . . . . 0.43 110.305 176.22 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.513 ' O ' ' HB3' ' A' ' 76' ' ' GLU . . . -127.97 155.37 44.37 Favored 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 109.835 -0.432 . . . . 0.55 109.835 171.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.645 HD13 ' H ' ' A' ' 74' ' ' LEU . 0.0 OUTLIER -63.76 147.02 52.78 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.313 0.577 . . . . 1.71 109.931 171.9 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 73.55 6.74 71.9 Favored Glycine 0 C--N 1.313 -0.709 0 CA-C-N 115.501 -0.772 . . . . 0.59 111.9 -171.64 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.513 ' HB3' ' O ' ' A' ' 73' ' ' ALA . 34.6 tt0 -114.54 150.58 34.72 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-O 121.112 0.482 . . . . 2.37 110.541 -178.529 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.402 ' CD ' ' HD2' ' A' ' 89' ' ' LYS . 29.0 tt0 -131.32 123.53 28.5 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.239 -0.892 . . . . 1.4 109.36 -172.846 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 45.1 p90 -133.94 161.88 33.59 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.934 0.397 . . . . 0.57 111.644 -174.508 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 57.3 tt0 -84.84 134.57 34.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.679 -0.691 . . . . 1.95 109.504 175.631 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -143.48 155.77 44.45 Favored 'General case' 0 C--O 1.242 0.68 0 CA-C-O 120.812 0.339 . . . . 1.26 111.266 -170.899 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.427 ' HG3' ' OE1' ' A' ' 87' ' ' GLN . 28.0 tt0 -93.36 89.17 6.25 Favored 'General case' 0 N--CA 1.447 -0.581 0 N-CA-C 107.81 -1.181 . . . . 2.13 107.81 175.309 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.88 166.88 12.54 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 114.364 -1.289 . . . . 0.95 114.127 -164.765 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.563 ' O ' ' HE2' ' A' ' 65' ' ' LYS . 13.2 tp -71.98 -28.37 63.37 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 113.383 -1.735 . . . . 1.34 110.43 -174.844 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -83.04 26.84 0.59 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.74 -0.664 . . . . 1.55 111.794 178.103 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 69.6 m 62.25 33.45 16.65 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 115.763 -0.653 . . . . 1.21 112.183 171.413 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 23.3 p -131.54 174.11 10.43 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.184 -0.462 . . . . 0.93 110.462 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' GLN . . . . . 0.427 ' OE1' ' HG3' ' A' ' 81' ' ' GLU . 9.8 mm100 -120.45 101.84 8.05 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 108.852 -0.796 . . . . 1.88 108.852 179.204 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' HIS . . . . . 0.59 ' HB2' ' O ' ' A' ' 105' ' ' ILE . 16.3 p80 -147.03 177.05 9.46 Favored 'General case' 0 C--N 1.319 -0.749 0 C-N-CA 120.386 -0.526 . . . . 1.04 111.163 -175.488 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.402 ' HD2' ' CD ' ' A' ' 77' ' ' GLU . 55.7 pttt -85.63 153.97 22.01 Favored 'General case' 0 N--CA 1.442 -0.857 0 CA-C-O 121.184 0.516 . . . . 1.49 110.364 -174.726 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 52.1 mt -140.23 137.56 37.39 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.944 0 CA-C-N 115.238 -0.892 . . . . 0.54 110.113 -179.361 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 9.8 m -123.78 141.2 52.25 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.121 -0.49 . . . . 0.43 110.602 -179.534 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 52.7 m-85 -112.7 149.47 32.87 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 108.527 -0.916 . . . . 0.6 108.527 173.112 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -155.44 130.62 9.5 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 120.794 0.331 . . . . 1.69 111.023 178.341 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -82.05 106.04 13.64 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 108.206 -1.035 . . . . 1.12 108.206 174.252 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 52.4 tttm -85.2 -57.65 3.0 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 109.265 -0.642 . . . . 3.03 109.265 -172.366 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 37.6 m-20 -129.59 164.59 38.88 Favored Pre-proline 0 C--N 1.319 -0.74 0 N-CA-C 107.92 -1.141 . . . . 1.79 107.92 177.715 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 21.2 Cg_exo -66.79 8.16 0.36 Allowed 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.938 2.425 . . . . 0.98 113.097 -176.519 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -145.68 25.5 1.32 Allowed 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.321 -0.622 . . . . 2.32 109.321 174.731 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 22.0 m -151.51 103.81 3.01 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 121.198 0.523 . . . . 0.56 112.081 -179.715 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.484 ' HB3' ' HB2' ' A' ' 118' ' ' TYR . 18.9 tp -94.28 151.67 19.26 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 108.207 -1.035 . . . . 1.1 108.207 169.38 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 13.9 p -129.87 139.93 51.09 Favored 'General case' 0 C--N 1.322 -0.629 0 O-C-N 121.502 -0.749 . . . . 0.41 111.573 179.495 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.4 ' HB2' ' HE2' ' A' ' 118' ' ' TYR . 54.2 tt0 -117.21 108.33 15.53 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.172 -0.677 . . . . 1.31 109.172 175.559 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 93.6 m -102.17 118.99 38.05 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.039 -0.528 . . . . 0.51 110.839 -176.142 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' HIS . . . . . 0.443 ' HB3' ' CE1' ' A' ' 88' ' ' HIS . 9.8 m170 -99.98 121.93 42.11 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.835 -0.62 . . . . 1.69 109.788 179.372 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.59 ' O ' ' HB2' ' A' ' 88' ' ' HIS . 57.1 mt -124.14 118.97 55.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 121.206 0.527 . . . . 0.75 111.456 175.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.544 ' HA ' ' CB ' ' A' ' 88' ' ' HIS . 60.9 mttp -62.2 113.42 2.86 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 114.903 -1.044 . . . . 1.61 111.125 176.451 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 16.1 m -59.28 -22.2 21.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.224 -0.898 . . . . 1.32 112.029 178.782 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -86.57 -34.47 19.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.872 0.368 . . . . 2.5 110.662 179.702 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' ASP . . . . . 0.416 ' O ' ' HB2' ' A' ' 106' ' ' LYS . 27.1 t70 -148.65 93.43 4.29 Favored Pre-proline 0 C--N 1.327 -0.375 0 CA-C-O 121.601 0.715 . . . . 2.39 109.778 178.387 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -75.31 9.39 2.16 Favored 'Trans proline' 0 C--N 1.33 -0.411 0 C-N-CA 123.223 2.615 . . . . 0.9 113.724 -173.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 33.3 p -85.54 -24.66 27.19 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.299 -0.56 . . . . 1.47 110.017 177.761 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -90.22 58.28 4.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.481 0.658 . . . . 1.59 109.988 176.89 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 7.2 p -61.86 155.47 4.56 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.248 0 CA-C-N 115.282 -0.872 . . . . 1.6 109.683 172.281 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -152.17 125.41 8.7 Favored 'General case' 0 C--N 1.313 -1.0 0 N-CA-C 109.177 -0.675 . . . . 2.78 109.177 -179.21 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 24.6 m -130.59 132.41 45.51 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 121.283 0.563 . . . . 0.53 111.408 -173.823 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 3.8 m-30 -112.95 157.18 21.8 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 106.556 -1.646 . . . . 0.96 106.556 170.861 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 117' ' ' GLU . . . . . 0.475 ' O ' ' HA ' ' A' ' 127' ' ' MET . 32.5 mt-10 -125.19 138.2 54.13 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 108.485 -0.931 . . . . 1.27 108.485 179.241 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 118' ' ' TYR . . . . . 0.484 ' HB2' ' HB3' ' A' ' 100' ' ' LEU . 97.8 m-85 -103.52 86.31 2.62 Favored 'General case' 0 C--N 1.313 -1.018 0 CA-C-O 121.061 0.457 . . . . 0.6 109.862 177.706 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -113.08 138.97 49.13 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 108.539 -0.912 . . . . 3.41 108.539 177.128 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 120' ' ' ARG . . . . . 0.426 ' HG2' ' HA ' ' A' ' 125' ' ' LEU . 13.7 mtp180 -104.15 140.79 37.3 Favored 'General case' 0 C--N 1.314 -0.967 0 C-N-CA 119.687 -0.805 . . . . 1.96 111.772 -175.26 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -92.85 -15.34 26.56 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 114.937 -1.029 . . . . 1.08 110.056 -178.745 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 145.62 -80.71 0.22 Allowed Glycine 0 N--CA 1.445 -0.722 0 N-CA-C 110.759 -0.937 . . . . 0.92 110.759 -177.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 -92.91 -21.17 19.99 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.065 0.46 . . . . 2.31 109.868 176.057 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 124' ' ' TYR . . . . . 0.667 ' CE2' ' HB3' ' A' ' 141' ' ' LYS . 95.6 m-85 -111.21 139.43 46.61 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-N 115.912 -0.586 . . . . 0.67 110.854 -175.715 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.426 ' HA ' ' HG2' ' A' ' 120' ' ' ARG . 0.3 OUTLIER -84.21 127.45 33.95 Favored 'General case' 0 N--CA 1.439 -0.991 0 N-CA-C 106.896 -1.52 . . . . 1.03 106.896 170.075 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 38.9 t -110.09 108.92 26.62 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.05 0 N-CA-C 109.53 -0.544 . . . . 0.47 109.53 -176.183 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 127' ' ' MET . . . . . 0.475 ' HA ' ' O ' ' A' ' 117' ' ' GLU . 20.5 ttm -80.92 122.83 27.73 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 115.295 -0.866 . . . . 1.08 109.048 176.5 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 128' ' ' LYS . . . . . 0.465 ' HB3' ' HB2' ' A' ' 117' ' ' GLU . 41.0 tptt -109.66 112.47 24.56 Favored 'General case' 0 C--N 1.316 -0.872 0 N-CA-C 109.267 -0.642 . . . . 2.2 109.267 -175.719 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 129' ' ' MET . . . . . 0.512 ' HB2' ' CG2' ' A' ' 136' ' ' THR . 30.7 mtp -121.63 125.0 45.66 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 109.118 -0.697 . . . . 1.11 109.118 -176.732 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 3.6 p -135.9 129.95 33.05 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.08 0.467 . . . . 1.06 111.65 -177.038 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 131' ' ' TRP . . . . . 0.572 ' CD1' ' HG2' ' A' ' 132' ' ' LYS . 52.9 t-105 -153.36 136.94 15.96 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.622 -0.717 . . . . 0.76 110.226 179.635 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 132' ' ' LYS . . . . . 0.572 ' HG2' ' CD1' ' A' ' 131' ' ' TRP . 75.7 mmtt 52.09 38.85 25.24 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 115.913 -0.585 . . . . 1.96 111.603 -177.458 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 81.88 -11.6 46.77 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 121.027 -0.606 . . . . 0.53 112.994 178.679 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 39.2 t -89.71 109.33 20.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 120.821 0.343 . . . . 0.43 110.393 -178.285 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -103.92 129.01 51.41 Favored 'General case' 0 N--CA 1.445 -0.692 0 CA-C-O 121.286 0.565 . . . . 1.14 111.248 177.782 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 136' ' ' THR . . . . . 0.512 ' CG2' ' HB2' ' A' ' 129' ' ' MET . 6.9 t -119.21 141.79 48.59 Favored 'General case' 0 C--N 1.312 -1.024 0 CA-C-N 115.226 -0.897 . . . . 0.4 109.99 179.123 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 12.1 m -116.73 116.38 27.41 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.874 -0.603 . . . . 0.79 109.641 179.452 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 138' ' ' ARG . . . . . 0.55 ' NH2' HD11 ' A' ' 13' ' ' LEU . 29.5 mtp180 -103.47 133.05 49.17 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.728 -0.471 . . . . 1.84 109.728 179.231 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 86.6 m-85 -106.31 113.03 26.32 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.243 0.544 . . . . 0.64 110.858 -173.306 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 63.4 m-85 -110.42 132.51 54.12 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.284 -0.871 . . . . 0.6 110.699 179.646 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 141' ' ' LYS . . . . . 0.667 ' HB3' ' CE2' ' A' ' 124' ' ' TYR . 0.0 OUTLIER -118.87 160.63 21.57 Favored 'General case' 0 C--O 1.212 -0.908 0 N-CA-C 107.396 -1.335 . . . . 1.92 107.396 172.682 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 142' ' ' LYS . . . . . 0.576 ' O ' ' HD3' ' A' ' 141' ' ' LYS . 86.5 tttt -41.74 153.17 0.06 Allowed 'General case' 0 N--CA 1.477 0.906 0 CA-C-N 118.43 0.559 . . . . 2.13 112.378 -177.917 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 143' ' ' GLN . . . . . 0.478 ' HB2' HG23 ' A' ' 10' ' ' THR . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.026 0 O-C-N 120.598 -1.314 . . . . 1.46 111.029 168.819 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.8 m . . . . . 0 C--O 1.237 0.41 0 CA-C-O 120.79 0.329 . . . . 0.99 110.619 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.527 ' HB2' ' CZ ' ' A' ' 56' ' ' TYR . 1.0 OUTLIER -62.36 121.38 66.36 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 115.577 -0.738 . . . . 0.59 111.146 -175.413 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 4' ' ' PRO . . . . . 0.51 ' HD2' HD23 ' A' ' 3' ' ' LEU . 32.0 Cg_exo -56.82 124.35 16.04 Favored 'Trans proline' 0 N--CA 1.46 -0.483 0 C-N-CA 122.592 2.195 . . . . 0.61 110.727 172.329 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ASP . . . . . 0.501 ' HA ' HD12 ' A' ' 8' ' ' LEU . 6.5 m-20 -50.42 -25.82 4.33 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 115.968 -0.56 . . . . 2.19 112.309 -178.566 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.479 ' HB3' ' HG3' ' A' ' 120' ' ' ARG . 74.5 mmtt -58.21 -25.64 61.87 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 112.153 0.427 . . . . 2.53 112.153 178.321 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.444 ' HZ ' ' C ' ' A' ' 98' ' ' ASN . 26.1 m-85 -94.21 -2.47 52.43 Favored 'General case' 0 C--O 1.226 -0.159 0 O-C-N 122.165 -0.335 . . . . 0.6 111.277 -178.692 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.501 HD12 ' HA ' ' A' ' 5' ' ' ASP . 97.5 mt -95.6 151.49 19.29 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.197 0.522 . . . . 0.46 111.422 -171.89 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 116.98 -176.18 16.08 Favored Glycine 0 N--CA 1.445 -0.747 0 CA-C-N 115.184 -0.917 . . . . 0.52 110.958 -176.62 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.616 HG23 ' HB2' ' A' ' 143' ' ' GLN . 14.7 t -114.06 141.12 47.86 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-O 121.142 0.496 . . . . 1.05 110.068 178.412 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.572 ' HA ' ' HA ' ' A' ' 142' ' ' LYS . 63.2 m-85 -129.73 130.77 45.87 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 115.771 -0.65 . . . . 0.47 111.637 -175.428 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.544 ' HG3' ' O ' ' A' ' 142' ' ' LYS . 0.0 OUTLIER -93.79 134.04 36.56 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-O 121.192 0.52 . . . . 2.19 109.905 169.011 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -57.12 123.46 15.33 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.224 -0.443 . . . . 1.14 110.43 177.494 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -99.1 -45.55 5.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.472 -0.331 . . . . 2.08 110.86 179.254 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 12.0 ptm180 -153.27 178.27 9.95 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.988 0.423 . . . . 3.36 111.06 179.383 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -153.15 153.12 32.15 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.638 -0.71 . . . . 1.19 109.751 -179.348 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 48.0 mm-40 -132.4 118.62 19.59 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.486 -0.324 . . . . 2.66 110.71 -178.267 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 5.3 t30 66.32 31.55 8.33 Favored 'General case' 0 N--CA 1.468 0.475 0 CA-C-O 122.02 0.914 . . . . 0.76 110.524 175.706 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.452 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 36.3 t80 -77.39 -40.49 43.55 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 114.987 -1.006 . . . . 0.49 110.229 -177.465 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -55.15 -53.43 56.04 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.118 -0.492 . . . . 2.04 110.371 175.779 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 22.9 mp0 -51.91 -45.92 64.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.604 -0.726 . . . . 1.79 111.45 176.852 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 90.6 t80 -60.16 -37.65 80.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.506 -0.316 . . . . 0.57 111.392 179.025 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.452 ' HG ' ' O ' ' A' ' 19' ' ' PHE . 95.2 mt -63.77 -38.54 91.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.004 0.43 . . . . 0.37 110.083 -179.113 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.449 ' HG2' ' NH1' ' A' ' 33' ' ' ARG . 52.6 mtpt -66.2 -47.56 73.5 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.848 -0.615 . . . . 1.88 110.003 177.396 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -55.33 -44.99 76.39 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.412 -0.813 . . . . 0.44 111.37 178.792 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 11.1 mmm180 -71.83 -3.8 24.31 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.274 0.472 . . . . 1.29 112.274 -178.131 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 88.21 25.37 31.43 Favored Glycine 0 N--CA 1.444 -0.817 0 C-N-CA 120.485 -0.864 . . . . 0.62 112.581 176.37 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 67.9 m-85 -89.2 123.99 33.95 Favored 'General case' 0 N--CA 1.448 -0.529 0 N-CA-C 109.316 -0.624 . . . . 0.64 109.316 173.647 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -77.46 -175.31 42.96 Favored Glycine 0 N--CA 1.444 -0.776 0 C-N-CA 120.515 -0.85 . . . . 1.54 111.003 178.682 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.45 ' HE3' HD12 ' A' ' 31' ' ' ILE . 78.0 t90 -54.4 -41.65 69.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 117.07 0.435 . . . . 1.18 111.006 -178.859 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.489 HD12 ' N ' ' A' ' 31' ' ' ILE . 2.1 mp -57.6 -54.65 28.51 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.527 0 CA-C-O 120.981 0.42 . . . . 2.16 110.383 -174.296 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.38 -44.87 81.92 Favored 'General case' 0 N--CA 1.437 -1.076 0 CA-C-N 115.605 -0.725 . . . . 0.97 110.578 179.192 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.449 ' NH1' ' HG2' ' A' ' 24' ' ' LYS . 32.3 ttp180 -58.82 -31.52 68.55 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.25 -0.432 . . . . 1.87 110.645 -178.192 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.527 ' O ' HD23 ' A' ' 38' ' ' LEU . 16.4 tm0? -72.17 -49.62 34.19 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.86 -0.609 . . . . 1.97 109.753 177.077 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 55.6 t -68.25 -53.47 28.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.09 -0.504 . . . . 0.68 111.235 -174.589 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 94.0 mt -46.7 -40.88 4.83 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 114.917 -1.038 . . . . 0.51 113.53 179.336 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 50.8 mtmt -80.63 -12.17 59.54 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 120.671 -0.412 . . . . 0.97 111.722 -178.205 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.527 HD23 ' O ' ' A' ' 34' ' ' GLN . 4.1 mm? -91.19 7.7 39.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.231 0.538 . . . . 2.08 110.372 174.764 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.585 ' HA ' ' OG1' ' A' ' 63' ' ' THR . . . -103.55 108.33 19.55 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.839 -0.619 . . . . 1.03 111.324 -179.309 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.632 ' O ' ' HA ' ' A' ' 62' ' ' THR . . . -70.88 134.23 23.45 Favored Glycine 0 N--CA 1.449 -0.433 0 N-CA-C 110.412 -1.075 . . . . 0.84 110.412 171.685 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 41.0 t -114.9 126.94 72.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-O 120.989 0.424 . . . . 1.3 111.8 -170.838 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 53.7 m -116.22 119.06 34.54 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.678 -0.692 . . . . 0.45 110.754 176.253 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -92.39 144.62 25.19 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.692 -0.485 . . . . 0.79 109.692 176.672 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.526 ' O ' ' HA ' ' A' ' 58' ' ' MET . 68.2 mttm -140.09 102.01 4.29 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.595 0.236 . . . . 1.96 110.814 178.889 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 89.0 m-85 -105.64 129.92 53.78 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.829 -0.434 . . . . 0.54 109.829 177.24 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 39.1 ptt180 -159.8 172.87 16.89 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 120.89 0.376 . . . . 3.17 110.931 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 50.1 m-80 -65.39 154.04 39.55 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 108.77 -0.826 . . . . 1.85 108.77 172.484 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.448 ' HA ' ' HB2' ' A' ' 57' ' ' ASP . . . -51.91 131.19 30.91 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-O 121.139 0.495 . . . . 0.87 111.277 -176.071 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.17 -29.96 70.35 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 114.922 -1.035 . . . . 1.48 111.133 -172.784 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 35.2 p -64.1 -4.34 3.45 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 112.832 0.678 . . . . 2.37 112.832 175.128 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 75.53 18.97 79.64 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.7 -0.762 . . . . 1.91 112.421 -176.872 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 50.6 mtpt -90.02 134.85 30.94 Favored Pre-proline 0 C--N 1.326 -0.437 0 CA-C-O 120.68 0.276 . . . . 3.17 110.583 179.787 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.401 ' O ' ' HB3' ' A' ' 54' ' ' ASP . 71.7 Cg_endo -75.65 152.3 37.66 Favored 'Trans proline' 0 C--O 1.236 0.41 0 C-N-CA 122.977 2.451 . . . . 1.84 112.283 -178.509 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.401 ' HB3' ' O ' ' A' ' 53' ' ' PRO . 35.1 t70 83.9 -53.13 0.14 Allowed 'General case' 0 N--CA 1.469 0.48 0 O-C-N 124.187 0.929 . . . . 2.44 109.374 176.101 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.426 ' HD3' ' OD1' ' A' ' 71' ' ' ASP . 69.6 mtt180 -61.68 149.17 40.32 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.026 -0.988 . . . . 4.1 111.93 172.35 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.527 ' CZ ' ' HB2' ' A' ' 3' ' ' LEU . 80.2 m-85 -125.63 174.34 8.34 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.657 -0.701 . . . . 0.97 110.13 174.818 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.448 ' HB2' ' HA ' ' A' ' 48' ' ' ALA . 30.0 t70 -132.17 135.86 46.66 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.441 -0.577 . . . . 1.1 109.441 -178.66 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.526 ' HA ' ' O ' ' A' ' 44' ' ' LYS . 10.9 tpt -138.79 132.31 30.42 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 120.584 0.231 . . . . 0.98 111.27 -174.025 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.414 ' HG3' ' O ' ' A' ' 67' ' ' THR . 44.0 tt0 -130.72 145.63 51.99 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.048 0.451 . . . . 1.11 111.613 -179.109 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.489 ' HB2' ' OG1' ' A' ' 67' ' ' THR . 27.7 m-80 -126.45 106.1 9.23 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 115.661 -0.699 . . . . 1.17 109.265 176.423 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 92.1 mt -100.99 136.13 41.32 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.514 -0.312 . . . . 1.67 110.368 178.149 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.632 ' HA ' ' O ' ' A' ' 40' ' ' GLY . 48.2 p -137.74 -173.31 3.46 Favored 'General case' 0 N--CA 1.447 -0.591 0 N-CA-C 108.886 -0.783 . . . . 0.45 108.886 178.783 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.585 ' OG1' ' HA ' ' A' ' 39' ' ' ALA . 52.7 p -93.23 -7.94 43.7 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.057 0.456 . . . . 0.54 111.139 -179.004 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 47.7 mmtm -124.63 -12.45 7.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.299 -0.409 . . . . 2.24 111.968 -177.258 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.44 ' HB3' ' H ' ' A' ' 66' ' ' ASP . 0.0 OUTLIER -140.76 -156.15 0.65 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.917 0.389 . . . . 1.82 111.354 -176.867 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.44 ' H ' ' HB3' ' A' ' 65' ' ' LYS . 5.8 p-10 168.07 114.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 114.91 -1.041 . . . . 2.12 109.626 -172.124 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.489 ' OG1' ' HB2' ' A' ' 60' ' ' ASN . 51.7 p -135.21 143.76 46.57 Favored 'General case' 0 C--N 1.315 -0.912 0 N-CA-C 109.724 -0.473 . . . . 0.56 109.724 -177.908 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.409 ' CD2' ' HE2' ' A' ' 70' ' ' LYS . 3.4 t60 -146.77 100.43 3.32 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.375 0.607 . . . . 1.95 111.014 -177.299 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 25.4 m-70 -79.98 88.82 5.33 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.66 -0.7 . . . . 0.39 109.55 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.409 ' HE2' ' CD2' ' A' ' 68' ' ' HIS . 0.0 OUTLIER -76.5 123.87 26.7 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 112.043 0.386 . . . . 2.3 112.043 179.073 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.426 ' OD1' ' HD3' ' A' ' 55' ' ' ARG . 0.7 OUTLIER 66.33 64.77 0.5 Allowed 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 115.411 -0.813 . . . . 2.07 112.213 170.781 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 68.5 p-90 -109.91 147.13 33.98 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 110.072 -0.344 . . . . 0.43 110.072 176.548 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -118.39 147.68 43.29 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.602 0.239 . . . . 0.55 110.772 178.336 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.453 HD21 ' HG ' ' A' ' 3' ' ' LEU . 3.0 mm? -55.42 128.29 33.62 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.092 0.472 . . . . 1.71 111.202 172.519 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 83.68 13.12 76.33 Favored Glycine 0 N--CA 1.445 -0.759 0 CA-C-N 115.409 -0.814 . . . . 0.59 112.289 -178.793 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -105.84 151.26 24.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.292 0.567 . . . . 2.37 111.185 -178.598 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -127.16 116.29 20.42 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.14 -0.936 . . . . 1.4 109.309 -178.439 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 44.0 p90 -136.4 159.44 41.76 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 116.356 -0.384 . . . . 0.57 110.186 -175.063 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 24.6 tt0 -95.75 136.15 36.54 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.132 -0.692 . . . . 1.95 109.132 177.289 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.457 ' O ' ' HA ' ' A' ' 87' ' ' GLN . 23.2 t70 -159.76 166.04 31.24 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 120.841 -0.344 . . . . 1.26 110.349 -175.1 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.505 ' CB ' ' HG2' ' A' ' 87' ' ' GLN . 33.3 tt0 -89.06 111.18 21.86 Favored 'General case' 0 CA--C 1.512 -0.513 0 N-CA-C 109.508 -0.553 . . . . 2.13 109.508 -178.903 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.488 ' HB2' HD11 ' A' ' 90' ' ' ILE . . . -94.54 176.45 6.28 Favored 'General case' 0 C--N 1.308 -1.196 0 CA-C-N 115.112 -0.949 . . . . 0.95 112.883 -176.483 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -55.68 -29.34 59.19 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.285 -0.416 . . . . 1.34 111.236 -178.47 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.403 ' OD1' ' HB3' ' A' ' 82' ' ' ALA . 14.3 p-10 -78.75 22.05 0.38 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.333 -0.394 . . . . 1.55 111.618 -177.442 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 15.8 m 76.15 -24.13 0.23 Allowed 'General case' 0 N--CA 1.466 0.367 0 N-CA-C 113.228 0.825 . . . . 1.21 113.228 166.663 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 22.9 p -95.61 169.22 10.18 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.145 0.498 . . . . 0.93 111.039 -179.461 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' GLN . . . . . 0.505 ' HG2' ' CB ' ' A' ' 81' ' ' GLU . 59.8 mt-30 -113.86 119.03 35.9 Favored 'General case' 0 N--CA 1.44 -0.962 0 N-CA-C 108.456 -0.942 . . . . 1.88 108.456 177.365 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' HIS . . . . . 0.879 ' HA ' HG13 ' A' ' 107' ' ' VAL . 6.1 p80 -146.45 176.79 9.54 Favored 'General case' 0 C--N 1.309 -1.186 0 CA-C-N 115.835 -0.62 . . . . 1.04 111.59 -170.074 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.434 ' HB3' ' HB ' ' A' ' 105' ' ' ILE . 40.6 ttmt -61.86 131.5 49.98 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 114.974 -1.012 . . . . 1.49 110.305 178.69 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.488 HD11 ' HB2' ' A' ' 82' ' ' ALA . 71.3 mt -137.8 133.35 44.98 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.82 0 CA-C-N 115.917 -0.583 . . . . 0.54 110.223 178.903 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 46.2 m -118.24 129.11 55.29 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 116.312 -0.403 . . . . 0.43 110.596 176.652 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -105.72 123.05 47.31 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 108.417 -0.957 . . . . 0.6 108.417 173.242 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -154.24 147.61 24.96 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-O 120.626 0.251 . . . . 1.69 110.485 -171.541 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.414 ' CD2' ' HG ' ' A' ' 100' ' ' LEU . 1.2 mt -92.12 116.1 28.64 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.287 -0.634 . . . . 1.12 109.287 173.585 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 44.5 tttm -83.53 -44.8 14.27 Favored 'General case' 0 C--N 1.317 -0.808 0 N-CA-C 108.342 -0.984 . . . . 3.03 108.342 -178.814 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -126.23 163.76 38.04 Favored Pre-proline 0 C--N 1.319 -0.752 0 N-CA-C 107.31 -1.367 . . . . 1.79 107.31 173.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 16.3 Cg_exo -69.18 4.87 1.7 Allowed 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.871 2.381 . . . . 0.98 112.141 -177.847 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' ASN . . . . . 0.444 ' C ' ' HZ ' ' A' ' 7' ' ' PHE . 26.1 p-10 -145.96 27.39 1.18 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.594 -0.73 . . . . 2.32 110.243 -179.593 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 60.2 m -151.91 110.0 3.71 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.131 0.491 . . . . 0.56 111.139 178.248 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.414 ' HG ' ' CD2' ' A' ' 94' ' ' LEU . 0.8 OUTLIER -84.01 144.42 29.13 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.166 -1.05 . . . . 1.1 108.166 174.848 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 6.7 p -126.74 134.36 50.65 Favored 'General case' 0 C--N 1.319 -0.752 0 O-C-N 121.632 -0.668 . . . . 0.41 111.079 177.248 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -115.33 100.56 8.2 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.994 -0.743 . . . . 1.31 108.994 177.013 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 38.5 m -96.42 121.14 37.91 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.419 -0.355 . . . . 0.51 110.387 -175.84 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' HIS . . . . . 0.636 ' HB3' ' CE1' ' A' ' 88' ' ' HIS . 1.7 m80 -106.74 121.66 44.82 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.561 -0.29 . . . . 1.69 110.547 -178.063 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.593 ' O ' ' HB2' ' A' ' 88' ' ' HIS . 22.4 mt -116.27 112.32 39.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-O 121.061 0.457 . . . . 0.75 109.931 173.34 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.508 ' HA ' ' CB ' ' A' ' 88' ' ' HIS . 55.1 mttm -63.79 128.76 37.27 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.542 -0.754 . . . . 1.61 111.365 -178.221 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.879 HG13 ' HA ' ' A' ' 88' ' ' HIS . 29.3 m -58.1 -32.95 45.37 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.305 0 CA-C-N 114.418 -1.264 . . . . 1.32 111.189 179.644 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -84.2 -56.46 3.64 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.299 -0.864 . . . . 2.5 110.358 -178.88 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' ASP . . . . . 0.449 ' O ' ' HB2' ' A' ' 106' ' ' LYS . 59.2 m-20 -118.72 92.08 43.61 Favored Pre-proline 0 CA--C 1.517 -0.324 0 CA-C-O 121.181 0.515 . . . . 2.39 110.996 178.888 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 110' ' ' PRO . . . . . 0.405 ' HD2' ' HA ' ' A' ' 109' ' ' ASP . 57.4 Cg_endo -71.54 -5.69 17.58 Favored 'Trans proline' 0 N--CA 1.462 -0.37 0 C-N-CA 122.983 2.456 . . . . 0.9 111.207 175.303 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 25.7 p -79.63 -25.33 41.43 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-N 115.05 -0.977 . . . . 1.47 110.446 175.589 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' ASP . . . . . 0.48 ' OD1' ' HE3' ' A' ' 106' ' ' LYS . 34.6 t70 -106.29 58.88 0.65 Allowed 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.52 0.676 . . . . 1.59 110.247 -178.749 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.417 HG12 HG12 ' A' ' 105' ' ' ILE . 13.2 m -67.94 179.29 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.543 -0.753 . . . . 1.6 111.993 176.466 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 59.5 tt0 -171.39 141.2 1.52 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.65 -0.705 . . . . 2.78 109.348 177.179 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 87.5 m -137.25 133.91 35.6 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.248 0.546 . . . . 0.53 111.893 -176.412 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 6.2 m-30 -108.18 160.49 15.78 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 107.219 -1.401 . . . . 0.96 107.219 171.886 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 117' ' ' GLU . . . . . 0.588 ' O ' ' HA ' ' A' ' 127' ' ' MET . 11.4 pt-20 -141.63 138.42 32.54 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 118.997 0.817 . . . . 1.27 109.517 177.03 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 95.7 m-85 -108.69 108.51 19.39 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.106 -0.497 . . . . 0.6 110.915 -176.285 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 12.9 ptm180 -118.12 169.11 9.95 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.991 -0.374 . . . . 3.41 109.991 175.015 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 120' ' ' ARG . . . . . 0.479 ' HG3' ' HB3' ' A' ' 6' ' ' LYS . 6.5 mmm180 -117.96 106.97 13.49 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 120.934 0.397 . . . . 1.96 111.702 -179.113 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -114.64 97.45 6.29 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.002 -0.544 . . . . 1.08 109.778 179.213 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 80.68 -127.22 7.8 Favored Glycine 0 N--CA 1.445 -0.719 0 C-N-CA 120.901 -0.666 . . . . 0.92 111.807 -178.318 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 37.3 m-20 -102.49 14.23 32.49 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.798 0.332 . . . . 2.31 110.845 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 124' ' ' TYR . . . . . 0.499 ' CE2' ' HE3' ' A' ' 141' ' ' LYS . 71.4 m-85 -122.03 141.85 50.94 Favored 'General case' 0 CA--C 1.51 -0.585 0 CA-C-N 116.313 -0.403 . . . . 0.67 110.498 -176.926 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 28.8 tp -81.31 121.69 26.5 Favored 'General case' 0 N--CA 1.439 -1.014 0 N-CA-C 107.369 -1.345 . . . . 1.03 107.369 171.088 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 46.5 t -113.62 114.92 48.21 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.071 0 CA-C-O 121.54 0.686 . . . . 0.47 109.984 -172.731 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 127' ' ' MET . . . . . 0.588 ' HA ' ' O ' ' A' ' 117' ' ' GLU . 9.6 ttm -95.7 142.68 27.71 Favored 'General case' 0 C--N 1.309 -1.153 0 CA-C-N 114.785 -1.098 . . . . 1.08 109.682 178.226 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 128' ' ' LYS . . . . . 0.534 ' HB3' ' CG ' ' A' ' 117' ' ' GLU . 59.1 tttp -122.59 132.68 54.41 Favored 'General case' 0 C--N 1.312 -1.056 0 N-CA-C 108.853 -0.795 . . . . 2.2 108.853 175.75 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 129' ' ' MET . . . . . 0.448 ' HB2' ' CG2' ' A' ' 136' ' ' THR . 43.1 mtp -128.61 121.42 28.63 Favored 'General case' 0 C--N 1.317 -0.821 0 N-CA-C 107.815 -1.18 . . . . 1.11 107.815 179.016 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 1.6 m -132.95 137.1 46.47 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 120.389 -0.524 . . . . 1.06 111.713 -174.289 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 131' ' ' TRP . . . . . 0.473 ' CD1' ' HG3' ' A' ' 132' ' ' LYS . 61.6 t-105 -150.36 127.46 11.22 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.453 -0.794 . . . . 0.76 109.99 177.633 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 132' ' ' LYS . . . . . 0.473 ' HG3' ' CD1' ' A' ' 131' ' ' TRP . 56.8 mtmt 54.68 39.07 31.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.963 -0.562 . . . . 1.96 111.595 -176.47 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 82.72 -31.25 3.05 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.84 -0.695 . . . . 0.53 112.74 -178.62 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 61.1 t -68.98 123.02 21.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 N-CA-C 109.832 -0.432 . . . . 0.43 109.832 178.785 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 22.5 t -131.75 161.61 32.45 Favored 'General case' 0 N--CA 1.444 -0.755 0 CA-C-O 121.696 0.76 . . . . 1.14 111.438 -176.235 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 136' ' ' THR . . . . . 0.448 ' CG2' ' HB2' ' A' ' 129' ' ' MET . 4.3 t -138.42 139.88 39.09 Favored 'General case' 0 C--N 1.309 -1.159 0 CA-C-N 114.357 -1.292 . . . . 0.4 110.317 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 3.3 m -106.09 116.71 32.41 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.078 -0.51 . . . . 0.79 109.683 177.238 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 138' ' ' ARG . . . . . 0.542 ' HB2' ' HB3' ' A' ' 127' ' ' MET . 20.4 mmm180 -99.97 115.2 29.13 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 115.6 -0.727 . . . . 1.84 109.607 -178.128 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 92.6 m-85 -95.79 105.7 17.74 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.178 0.513 . . . . 0.64 110.854 -177.212 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 76.3 m-85 -100.7 119.12 38.13 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 115.534 -0.757 . . . . 0.6 111.305 -178.459 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 141' ' ' LYS . . . . . 0.499 ' HE3' ' CE2' ' A' ' 124' ' ' TYR . 2.4 tppp? -95.62 147.84 23.16 Favored 'General case' 0 N--CA 1.432 -1.352 0 N-CA-C 107.007 -1.479 . . . . 1.92 107.007 176.652 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 142' ' ' LYS . . . . . 0.572 ' HA ' ' HA ' ' A' ' 11' ' ' PHE . 56.3 mtpt -48.71 163.59 0.08 Allowed 'General case' 0 N--CA 1.475 0.776 0 CA-C-N 119.467 1.03 . . . . 2.13 111.901 175.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 143' ' ' GLN . . . . . 0.616 ' HB2' HG23 ' A' ' 10' ' ' THR . 5.7 mm100 . . . . . 0 C--O 1.25 1.124 0 O-C-N 121.216 -0.927 . . . . 1.46 110.416 164.032 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.449 -0.501 0 N-CA-C 110.165 -0.309 . . . . 0.99 110.165 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.47 ' HB2' ' CE1' ' A' ' 56' ' ' TYR . 0.9 OUTLIER -57.06 122.34 52.71 Favored Pre-proline 0 C--N 1.325 -0.487 0 CA-C-N 115.857 -0.61 . . . . 0.59 110.856 -179.42 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 4' ' ' PRO . . . . . 0.46 ' HD2' HD23 ' A' ' 3' ' ' LEU . 48.5 Cg_exo -56.02 127.04 24.41 Favored 'Trans proline' 0 N--CA 1.463 -0.323 0 C-N-CA 122.792 2.328 . . . . 0.61 111.035 173.04 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ASP . . . . . 0.469 ' HA ' HD12 ' A' ' 8' ' ' LEU . 5.5 p-10 -56.16 -23.97 38.28 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.188 -0.46 . . . . 2.19 112.206 -176.682 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 15.5 pttm -67.98 -11.46 58.9 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.352 0.501 . . . . 2.53 112.352 177.16 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.455 ' CE1' ' HG2' ' A' ' 120' ' ' ARG . 22.7 m-85 -95.49 -5.31 43.21 Favored 'General case' 0 CA--C 1.519 -0.228 0 O-C-N 121.839 -0.538 . . . . 0.6 110.481 175.62 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.531 HD23 ' HB3' ' A' ' 45' ' ' PHE . 78.4 mt -97.52 145.59 26.07 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.159 0.504 . . . . 0.46 111.036 -171.449 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 133.82 172.81 13.01 Favored Glycine 0 N--CA 1.449 -0.497 0 CA-C-N 115.255 -0.884 . . . . 0.52 111.59 -176.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.428 HG23 ' HB3' ' A' ' 44' ' ' LYS . 14.6 m -102.41 122.84 45.1 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.605 -0.517 . . . . 1.05 109.605 175.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.43 ' HA ' ' HA ' ' A' ' 142' ' ' LYS . 79.3 m-85 -116.76 134.64 54.55 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 112.234 0.457 . . . . 0.47 112.234 -172.714 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.599 ' HG2' ' O ' ' A' ' 142' ' ' LYS . 19.7 ptpt -88.46 -161.29 0.72 Allowed 'General case' 0 N--CA 1.466 0.366 0 C-N-CA 120.49 -0.484 . . . . 2.19 109.79 165.126 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.447 HD12 ' CE1' ' A' ' 140' ' ' TYR . 7.2 tt -138.59 127.01 23.1 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 108.559 -0.904 . . . . 1.14 108.559 -174.854 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.421 ' HB2' ' HE3' ' A' ' 141' ' ' LYS . 42.8 tt0 -99.04 -48.49 4.85 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 121.104 -0.239 . . . . 2.08 111.444 -175.752 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 15.0 ptm180 -157.56 -173.65 4.5 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.967 0.413 . . . . 3.36 111.185 -176.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -167.06 161.82 15.05 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.565 -0.743 . . . . 1.19 109.513 -177.674 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 59.2 mm-40 -140.36 134.89 31.54 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 123.133 0.27 . . . . 2.66 111.023 -175.544 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 57.1 t30 67.83 25.66 7.84 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-O 121.74 0.781 . . . . 0.76 111.234 173.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.406 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 24.3 t80 -74.63 -41.47 60.31 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.443 -0.799 . . . . 0.49 111.117 -173.587 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -54.31 -55.29 29.79 Favored 'General case' 0 CA--C 1.516 -0.341 0 CA-C-O 120.582 0.229 . . . . 2.04 111.243 176.819 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -56.96 -37.71 71.96 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.036 -0.529 . . . . 1.79 111.174 -178.684 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 53.6 t80 -61.91 -43.21 99.32 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 120.824 -0.35 . . . . 0.57 110.943 174.127 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.406 ' HG ' ' O ' ' A' ' 19' ' ' PHE . 94.6 mt -63.34 -41.86 98.91 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.98 0.419 . . . . 0.37 110.298 -178.42 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -65.08 -43.33 92.48 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.7 -0.682 . . . . 1.88 110.2 179.637 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.44 -39.68 76.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.657 -0.701 . . . . 0.44 111.014 175.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.456 ' NH1' ' HB2' ' A' ' 114' ' ' GLU . 12.5 mmm180 -69.91 -17.77 63.35 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.712 -0.677 . . . . 1.29 111.267 178.93 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 96.93 12.01 51.25 Favored Glycine 0 N--CA 1.446 -0.694 0 C-N-CA 120.781 -0.723 . . . . 0.62 112.393 -179.709 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 58.1 m-85 -73.91 123.51 24.39 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.937 0.399 . . . . 0.64 110.17 178.735 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -77.38 -173.69 39.93 Favored Glycine 0 N--CA 1.443 -0.875 0 C-N-CA 120.732 -0.746 . . . . 1.54 112.343 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.574 ' O ' ' HG2' ' A' ' 34' ' ' GLN . 83.8 t90 -54.95 -51.34 66.45 Favored 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 122.465 0.306 . . . . 1.18 111.566 -176.941 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 1.3 mm -54.36 -52.07 42.76 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.208 0 CA-C-O 120.823 0.344 . . . . 2.16 111.772 -178.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.8 -44.89 82.39 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.147 -0.479 . . . . 0.97 110.71 179.513 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 47.5 mtm105 -63.68 -25.84 68.39 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 121.096 -0.242 . . . . 1.87 111.105 179.236 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.696 ' O ' HD23 ' A' ' 38' ' ' LEU . 26.1 mm-40 -76.67 -39.19 52.96 Favored 'General case' 0 C--O 1.223 -0.295 0 CA-C-O 120.796 0.331 . . . . 1.97 110.629 178.366 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.468 ' CG1' ' HG2' ' A' ' 64' ' ' LYS . 70.6 t -75.92 -63.77 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-O 121.149 0.5 . . . . 0.68 110.97 -179.191 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 83.8 mt -42.74 -45.76 1.18 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.445 0 C-N-CA 124.45 1.1 . . . . 0.51 113.685 -179.202 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 46.4 mtmt -78.42 -23.44 46.68 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.524 0.565 . . . . 0.97 112.524 -174.309 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.696 HD23 ' O ' ' A' ' 34' ' ' GLN . 4.6 mm? -85.79 -28.15 24.72 Favored 'General case' 0 C--N 1.321 -0.667 0 C-N-CA 120.762 -0.375 . . . . 2.08 111.038 -177.059 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.483 ' HA ' ' OG1' ' A' ' 63' ' ' THR . . . -65.64 122.76 17.99 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.087 -0.506 . . . . 1.03 111.166 176.506 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.434 ' H ' HG23 ' A' ' 63' ' ' THR . . . -76.11 150.96 39.79 Favored Glycine 0 N--CA 1.448 -0.517 0 N-CA-C 110.543 -1.023 . . . . 0.84 110.543 174.237 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.445 ' HA ' HG22 ' A' ' 62' ' ' THR . 40.9 t -124.7 126.83 72.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 117.376 0.588 . . . . 1.3 111.939 -173.254 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 23.2 m -116.24 113.45 23.04 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.319 -0.855 . . . . 0.45 109.691 174.526 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.5 ' HE2' ' CE ' ' A' ' 127' ' ' MET . 49.1 mttp -109.22 139.46 44.11 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.978 -0.379 . . . . 0.79 109.978 178.7 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.428 ' HB3' HG23 ' A' ' 10' ' ' THR . 15.8 ptmt -140.9 134.8 30.55 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-O 121.135 0.493 . . . . 1.96 111.529 -175.382 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.531 ' HB3' HD23 ' A' ' 8' ' ' LEU . 59.5 m-85 -121.22 140.53 51.9 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.071 -0.968 . . . . 0.54 109.53 176.146 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.416 ' HG3' ' HB3' ' A' ' 57' ' ' ASP . 36.7 ptt180 -164.98 173.92 11.05 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 116.313 -0.403 . . . . 3.17 110.564 -176.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 19.0 m120 -64.33 160.49 18.75 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.536 -0.756 . . . . 1.85 108.986 171.316 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -48.7 146.36 3.16 Favored 'General case' 0 N--CA 1.464 0.27 0 N-CA-C 112.388 0.514 . . . . 0.87 112.388 -174.616 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -43.05 -64.07 0.69 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.558 -0.746 . . . . 1.48 112.57 -176.863 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 65.2 m -63.01 -40.24 97.17 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.826 0.822 . . . . 2.37 109.879 177.681 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 122.15 31.0 1.13 Allowed Glycine 0 N--CA 1.446 -0.658 0 CA-C-N 114.963 -1.017 . . . . 1.91 112.057 176.654 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 29.3 mtpp -69.07 143.11 93.88 Favored Pre-proline 0 C--N 1.323 -0.56 0 N-CA-C 109.577 -0.527 . . . . 3.17 109.577 177.853 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.513 ' O ' ' HB3' ' A' ' 54' ' ' ASP . 87.9 Cg_endo -76.31 142.56 24.15 Favored 'Trans proline' 0 C--O 1.239 0.563 0 C-N-CA 122.509 2.139 . . . . 1.84 111.665 179.625 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.513 ' HB3' ' O ' ' A' ' 53' ' ' PRO . 21.9 t70 83.49 -52.88 0.15 Allowed 'General case' 0 N--CA 1.465 0.279 0 O-C-N 124.302 1.002 . . . . 2.44 109.395 178.237 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.448 ' HD2' ' HB2' ' A' ' 73' ' ' ALA . 14.6 mmm180 -64.32 135.95 56.69 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.745 -0.661 . . . . 4.1 110.977 172.788 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.47 ' CE1' ' HB2' ' A' ' 3' ' ' LEU . 57.0 m-85 -116.88 176.94 4.89 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 115.75 -0.659 . . . . 0.97 110.72 179.816 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.416 ' HB3' ' HG3' ' A' ' 46' ' ' ARG . 15.2 t70 -135.32 139.24 44.16 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.52 -0.548 . . . . 1.1 109.52 179.291 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.414 ' HG3' ' CE2' ' A' ' 45' ' ' PHE . 1.6 tmt? -142.16 141.84 32.67 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.229 -0.656 . . . . 0.98 109.229 -178.403 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.408 ' HG3' ' O ' ' A' ' 67' ' ' THR . 50.0 tt0 -144.35 148.83 35.23 Favored 'General case' 0 C--N 1.322 -0.598 0 C-N-CA 120.568 -0.453 . . . . 1.11 111.977 -174.324 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.474 ' OD1' ' HG2' ' A' ' 43' ' ' LYS . 43.4 m-80 -123.84 109.01 13.1 Favored 'General case' 0 CA--C 1.515 -0.385 0 CA-C-N 115.395 -0.821 . . . . 1.17 109.865 179.371 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 80.6 mt -108.72 124.99 51.43 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 110.069 -0.345 . . . . 1.67 110.069 177.172 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.445 HG22 ' HA ' ' A' ' 41' ' ' VAL . 42.6 p -131.21 -175.65 3.76 Favored 'General case' 0 N--CA 1.445 -0.701 0 N-CA-C 109.077 -0.712 . . . . 0.45 109.077 -179.595 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.483 ' OG1' ' HA ' ' A' ' 39' ' ' ALA . 25.0 p -84.16 -27.68 27.93 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-O 121.245 0.545 . . . . 0.54 110.721 179.622 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.468 ' HG2' ' CG1' ' A' ' 35' ' ' VAL . 23.4 tptp -105.21 -22.0 13.15 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.805 -0.634 . . . . 2.24 111.249 -173.026 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.465 ' HB3' ' H ' ' A' ' 66' ' ' ASP . 57.1 mmtt -142.14 -157.43 0.77 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.862 0.363 . . . . 1.82 111.543 -172.155 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.465 ' H ' ' HB3' ' A' ' 65' ' ' LYS . 6.1 p-10 168.17 132.4 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.141 -0.936 . . . . 2.12 109.488 -170.55 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.454 ' OG1' ' HB2' ' A' ' 60' ' ' ASN . 71.9 p -142.62 154.87 44.78 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 108.971 -0.752 . . . . 0.56 108.971 173.673 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 8.8 t-160 -142.61 99.34 3.47 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.035 0.445 . . . . 1.95 110.473 -178.392 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.463 ' CD2' ' HZ ' ' A' ' 92' ' ' PHE . 31.6 m-70 -77.11 84.55 3.6 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 108.659 -0.867 . . . . 0.39 108.659 175.149 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.452 ' H ' ' HG2' ' A' ' 70' ' ' LYS . 11.5 ptpt -80.24 123.27 27.8 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.015 -0.539 . . . . 2.3 112.355 -175.344 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.45 ' HA ' ' O ' ' A' ' 56' ' ' TYR . 6.5 p-10 46.91 69.56 0.48 Allowed 'General case' 0 N--CA 1.472 0.67 0 CA-C-N 114.585 -1.189 . . . . 2.07 112.619 175.115 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' TRP . . . . . 0.403 ' HE1' ' N ' ' A' ' 58' ' ' MET . 62.9 p-90 -104.8 150.44 24.79 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.09 -0.959 . . . . 0.43 109.785 176.175 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.496 ' HB3' ' HB2' ' A' ' 76' ' ' GLU . . . -100.15 142.02 32.2 Favored 'General case' 0 C--N 1.314 -0.943 0 N-CA-C 109.776 -0.453 . . . . 0.55 109.776 174.34 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.76 HD11 HD23 ' A' ' 94' ' ' LEU . 1.8 tt -64.46 117.22 7.0 Favored 'General case' 0 C--N 1.315 -0.907 0 N-CA-C 109.39 -0.596 . . . . 1.71 109.39 172.148 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 96.43 19.8 26.76 Favored Glycine 0 N--CA 1.451 -0.362 0 CA-C-N 115.884 -0.598 . . . . 0.59 112.15 -170.17 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.496 ' HB2' ' HB3' ' A' ' 73' ' ' ALA . 10.5 tp10 -107.44 154.02 21.96 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-O 120.981 0.419 . . . . 2.37 110.771 179.489 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.464 ' HA ' ' O ' ' A' ' 90' ' ' ILE . 43.1 tt0 -128.38 108.63 10.73 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.33 -0.85 . . . . 1.4 108.853 177.715 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 53.9 p90 -131.09 159.39 37.74 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.511 -0.313 . . . . 0.57 110.45 -174.239 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 24.2 tt0 -90.44 152.09 21.12 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.429 -0.582 . . . . 1.95 109.429 176.281 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.444 ' O ' ' HA ' ' A' ' 87' ' ' GLN . 10.0 t0 -159.57 174.08 15.15 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.098 -0.705 . . . . 1.26 109.098 -173.836 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -115.7 104.22 11.46 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.859 0.838 . . . . 2.13 109.223 176.44 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.403 ' HA ' HG21 ' A' ' 67' ' ' THR . . . -87.26 179.06 6.69 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 114.399 -1.273 . . . . 0.95 113.069 -167.882 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.583 HD22 ' H ' ' A' ' 83' ' ' LEU . 2.8 mm? -56.45 -29.81 62.13 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 121.17 0.51 . . . . 1.34 110.249 -179.726 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -76.46 10.68 1.94 Allowed 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.128 -0.942 . . . . 1.55 112.498 -174.855 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 24.9 m 74.57 0.76 3.66 Favored 'General case' 0 N--CA 1.467 0.407 0 N-CA-C 113.486 0.921 . . . . 1.21 113.486 169.312 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 52.5 p -120.33 168.99 10.71 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 119.928 -0.709 . . . . 0.93 111.539 177.336 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' GLN . . . . . 0.444 ' HA ' ' O ' ' A' ' 80' ' ' ASP . 5.8 mm-40 -98.79 127.95 44.87 Favored 'General case' 0 CA--C 1.511 -0.543 0 N-CA-C 108.564 -0.902 . . . . 1.88 108.564 -178.485 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' HIS . . . . . 0.607 ' CB ' ' HA ' ' A' ' 106' ' ' LYS . 12.6 p80 -154.59 170.68 20.92 Favored 'General case' 0 C--N 1.32 -0.696 0 C-N-CA 120.713 -0.395 . . . . 1.04 111.641 177.173 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.525 ' CG ' ' HB ' ' A' ' 105' ' ' ILE . 6.1 ptpp? -77.62 150.9 34.57 Favored 'General case' 0 N--CA 1.45 -0.425 0 CA-C-N 115.637 -0.711 . . . . 1.49 110.327 -176.673 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.464 ' O ' ' HA ' ' A' ' 77' ' ' GLU . 61.7 mt -142.77 137.56 27.67 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.804 0 CA-C-N 115.442 -0.799 . . . . 0.54 110.367 -176.829 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.448 ' HA ' ' O ' ' A' ' 76' ' ' GLU . 72.8 m -128.5 140.22 51.92 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.785 0.326 . . . . 0.43 111.256 179.818 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.463 ' HZ ' ' CD2' ' A' ' 69' ' ' HIS . 48.5 m-85 -113.12 137.98 50.63 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.059 -0.719 . . . . 0.6 109.059 175.861 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -158.56 146.2 18.0 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.915 0.388 . . . . 1.69 111.321 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.76 HD23 HD11 ' A' ' 74' ' ' LEU . 0.8 OUTLIER -94.51 117.29 29.9 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.141 -0.688 . . . . 1.12 109.141 175.687 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 23.4 ttmm -91.02 -58.52 2.44 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 108.993 -0.743 . . . . 3.03 108.993 -177.016 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.45 ' C ' ' H ' ' A' ' 98' ' ' ASN . 12.6 m-20 -107.56 165.55 12.6 Favored Pre-proline 0 C--N 1.319 -0.724 0 N-CA-C 107.55 -1.278 . . . . 1.79 107.55 172.659 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 16.8 Cg_exo -68.63 14.02 0.2 Allowed 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.935 2.423 . . . . 0.98 112.727 -177.192 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' ASN . . . . . 0.45 ' H ' ' C ' ' A' ' 96' ' ' ASP . 27.8 p-10 -159.21 26.99 0.2 Allowed 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.931 -0.577 . . . . 2.32 109.624 178.25 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.415 ' HB ' ' H ' ' A' ' 96' ' ' ASP . 58.5 m -139.39 110.36 6.83 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 115.658 -0.701 . . . . 0.56 111.194 179.506 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.481 ' HB3' ' HB2' ' A' ' 118' ' ' TYR . 14.1 tp -103.83 133.98 47.91 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.763 -0.653 . . . . 1.1 109.79 177.773 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 14.4 p -113.41 132.63 55.55 Favored 'General case' 0 C--N 1.321 -0.645 0 O-C-N 121.777 -0.577 . . . . 0.41 111.316 -179.694 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -115.19 96.61 5.76 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.701 -0.681 . . . . 1.31 109.508 177.548 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' THR . . . . . 0.463 ' O ' ' HA ' ' A' ' 90' ' ' ILE . 26.8 m -89.03 117.89 28.36 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.833 -0.622 . . . . 0.51 110.691 -174.217 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 104' ' ' HIS . . . . . 0.54 ' HB3' ' CE1' ' A' ' 88' ' ' HIS . 10.6 m170 -102.05 92.16 4.65 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.297 -0.411 . . . . 1.69 110.335 -179.832 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.525 ' HB ' ' CG ' ' A' ' 89' ' ' LYS . 15.9 mt -90.4 111.92 24.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-O 121.422 0.629 . . . . 0.75 110.725 177.888 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.607 ' HA ' ' CB ' ' A' ' 88' ' ' HIS . 98.6 mttt -61.08 118.11 6.37 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.075 -0.966 . . . . 1.61 111.504 178.598 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.411 HG13 ' HA ' ' A' ' 88' ' ' HIS . 29.5 m -65.65 -23.88 33.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 114.959 -1.018 . . . . 1.32 111.006 179.657 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -82.42 -37.13 25.93 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 116.341 -0.39 . . . . 2.5 110.452 -179.575 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' ASP . . . . . 0.43 ' O ' ' HB2' ' A' ' 106' ' ' LYS . 15.0 t70 -152.82 100.36 2.73 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.392 0.615 . . . . 2.39 110.275 177.016 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 110' ' ' PRO . . . . . 0.401 ' HD2' ' HA ' ' A' ' 109' ' ' ASP . 63.3 Cg_endo -74.01 9.5 1.68 Allowed 'Trans proline' 0 CA--C 1.531 0.344 0 C-N-CA 123.281 2.654 . . . . 0.9 113.969 -177.623 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 63.7 p -110.85 14.83 22.1 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.695 0.76 . . . . 1.47 110.492 176.368 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -130.5 27.6 5.0 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 122.085 0.945 . . . . 1.59 109.099 175.444 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.494 ' CG1' ' HA ' ' A' ' 105' ' ' ILE . 16.9 m -72.52 178.8 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 114.909 -1.041 . . . . 1.6 111.568 -175.64 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.456 ' HB2' ' NH1' ' A' ' 26' ' ' ARG . 8.4 tp10 -162.1 153.02 17.71 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.244 -0.435 . . . . 2.78 110.166 176.582 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 86.7 m -131.17 130.24 42.77 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.265 0.555 . . . . 0.53 110.867 -176.832 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 116' ' ' TYR . . . . . 0.438 ' HB3' ' CE ' ' A' ' 127' ' ' MET . 9.7 m-30 -95.08 144.69 25.53 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 107.518 -1.29 . . . . 0.96 107.518 174.513 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 117' ' ' GLU . . . . . 0.546 ' O ' ' HA ' ' A' ' 127' ' ' MET . 37.4 tt0 -129.36 120.02 24.87 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 118.964 0.802 . . . . 1.27 109.268 -175.608 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 118' ' ' TYR . . . . . 0.481 ' HB2' ' HB3' ' A' ' 100' ' ' LEU . 78.2 m-85 -96.81 108.37 21.03 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.135 -0.484 . . . . 0.6 110.632 -175.546 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 22.7 ttt180 -120.39 152.17 38.27 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.101 -0.499 . . . . 3.41 109.841 178.301 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 120' ' ' ARG . . . . . 0.49 ' NH2' ' HA ' ' A' ' 123' ' ' ASP . 14.9 mmm180 -98.3 138.95 34.81 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 120.884 0.373 . . . . 1.96 111.259 -179.294 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -130.4 88.97 2.71 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.015 -0.539 . . . . 1.08 109.583 176.749 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 68.25 -95.5 0.36 Allowed Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 120.949 -0.643 . . . . 0.92 111.611 -176.226 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 123' ' ' ASP . . . . . 0.49 ' HA ' ' NH2' ' A' ' 120' ' ' ARG . 6.2 p-10 -118.71 -2.09 11.0 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.987 0.422 . . . . 2.31 110.667 177.607 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 24.1 m-85 -96.55 143.83 27.18 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.089 -0.505 . . . . 0.67 110.857 -178.707 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -93.59 118.44 31.37 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 107.753 -1.202 . . . . 1.03 107.753 172.514 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 59.6 t -117.2 129.3 73.96 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.819 0 CA-C-O 121.152 0.501 . . . . 0.47 109.833 -173.406 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 127' ' ' MET . . . . . 0.569 ' HB3' ' HB3' ' A' ' 138' ' ' ARG . 23.3 ttm -103.49 138.82 39.68 Favored 'General case' 0 C--N 1.311 -1.068 0 CA-C-N 115.77 -0.65 . . . . 1.08 110.829 -178.858 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 128' ' ' LYS . . . . . 0.41 ' HB2' ' HB3' ' A' ' 117' ' ' GLU . 23.8 mmtp -108.5 129.82 55.28 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.543 -0.753 . . . . 2.2 109.431 175.003 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 67.3 mtp -131.91 127.43 36.41 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 107.874 -1.158 . . . . 1.11 107.874 175.666 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 130' ' ' SER . . . . . 0.496 ' HA ' ' O ' ' A' ' 134' ' ' VAL . 7.2 p -139.9 129.98 25.0 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.044 0.45 . . . . 1.06 112.169 -172.199 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 131' ' ' TRP . . . . . 0.449 ' CG ' ' HD2' ' A' ' 26' ' ' ARG . 30.1 t-105 -146.03 131.03 18.23 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.455 -0.793 . . . . 0.76 110.084 178.624 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 59.0 mttp 51.24 43.75 29.13 Favored 'General case' 0 C--N 1.327 -0.371 0 O-C-N 123.677 0.61 . . . . 1.96 111.634 -179.259 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 80.73 -6.23 62.51 Favored Glycine 0 N--CA 1.451 -0.338 0 CA-C-N 115.633 -0.712 . . . . 0.53 113.289 177.609 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 134' ' ' VAL . . . . . 0.496 ' O ' ' HA ' ' A' ' 130' ' ' SER . 4.3 t -93.54 105.6 17.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.97 0.385 . . . . 0.43 110.479 -179.249 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -99.66 132.07 45.24 Favored 'General case' 0 N--CA 1.438 -1.063 0 CA-C-O 121.171 0.51 . . . . 1.14 110.397 176.801 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 6.1 t -120.43 140.25 51.65 Favored 'General case' 0 C--N 1.31 -1.131 0 CA-C-N 115.537 -0.756 . . . . 0.4 109.571 177.677 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 15.2 m -106.13 117.15 33.3 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.018 0.437 . . . . 0.79 110.233 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 138' ' ' ARG . . . . . 0.569 ' HB3' ' HB3' ' A' ' 127' ' ' MET . 5.4 tpt180 -97.79 108.22 20.88 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 108.588 -0.893 . . . . 1.84 108.588 179.183 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 92.5 m-85 -91.58 112.9 25.0 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.859 0.362 . . . . 0.64 111.747 -171.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 140' ' ' TYR . . . . . 0.447 ' CE1' HD12 ' A' ' 13' ' ' LEU . 95.3 m-85 -107.83 147.01 31.48 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.824 -0.626 . . . . 0.6 110.942 177.518 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 141' ' ' LYS . . . . . 0.503 ' HG3' ' O ' ' A' ' 142' ' ' LYS . 17.5 ptpt -127.95 166.43 18.35 Favored 'General case' 0 C--N 1.31 -1.149 0 N-CA-C 107.194 -1.41 . . . . 1.92 107.194 173.676 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 142' ' ' LYS . . . . . 0.599 ' O ' ' HG2' ' A' ' 12' ' ' LYS . 31.1 mtpp -54.5 165.84 0.52 Allowed 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 119.304 0.956 . . . . 2.13 111.262 173.164 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 143' ' ' GLN . . . . . 0.525 ' OE1' ' HB3' ' A' ' 12' ' ' LYS . 11.9 mm100 . . . . . 0 C--O 1.245 0.865 0 O-C-N 121.537 -0.727 . . . . 1.46 110.399 165.117 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 2.8 m . . . . . 0 N--CA 1.45 -0.441 0 CA-C-O 120.886 0.374 . . . . 0.99 110.916 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.491 ' HB2' ' CE1' ' A' ' 56' ' ' TYR . 0.5 OUTLIER -64.36 120.95 69.4 Favored Pre-proline 0 C--N 1.327 -0.401 0 CA-C-N 115.632 -0.713 . . . . 0.59 110.422 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 41.4 Cg_exo -56.49 125.55 19.41 Favored 'Trans proline' 0 N--CA 1.459 -0.522 0 C-N-CA 122.342 2.028 . . . . 0.61 110.432 172.88 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ASP . . . . . 0.531 ' HA ' HD12 ' A' ' 8' ' ' LEU . 4.2 p-10 -57.45 -20.48 30.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.108 -0.496 . . . . 2.19 111.62 -175.393 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 70.7 tttt -64.21 -15.91 60.93 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.39 -0.368 . . . . 2.53 111.555 179.108 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 31.7 m-85 -97.51 -1.55 43.81 Favored 'General case' 0 C--N 1.333 -0.129 0 O-C-N 122.053 -0.404 . . . . 0.6 110.53 176.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.531 HD12 ' HA ' ' A' ' 5' ' ' ASP . 83.1 mt -100.1 150.54 22.38 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.121 0.486 . . . . 0.46 111.083 -174.314 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 133.55 -179.1 17.74 Favored Glycine 0 N--CA 1.446 -0.64 0 CA-C-N 115.467 -0.788 . . . . 0.52 111.997 -178.676 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 56.4 m -110.78 126.82 55.02 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.856 -0.424 . . . . 1.05 109.856 176.666 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 45.1 m-85 -126.91 133.63 50.63 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.429 -0.351 . . . . 0.47 111.127 -175.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.48 ' HG2' ' O ' ' A' ' 142' ' ' LYS . 21.0 ptmt -93.9 138.4 32.08 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 120.686 -0.405 . . . . 2.19 110.442 172.597 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.472 HD11 ' CZ ' ' A' ' 138' ' ' ARG . 5.4 tt -55.19 121.48 8.91 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.57 -0.286 . . . . 1.14 110.471 175.008 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -94.64 -52.82 4.13 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.315 -0.402 . . . . 2.08 110.376 179.126 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 14.3 ptm180 -163.62 -169.52 1.95 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.275 -0.42 . . . . 3.36 110.037 -177.898 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -147.18 -174.37 4.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.839 0.352 . . . . 1.19 111.125 -177.384 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -162.6 109.49 1.26 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.779 -0.646 . . . . 2.66 110.085 -179.616 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 69.27 24.44 5.94 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-O 121.742 0.782 . . . . 0.76 110.711 176.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 76.9 t80 -73.58 -41.41 62.93 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.428 -0.806 . . . . 0.49 111.335 -174.363 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.547 ' OD1' ' HE3' ' A' ' 24' ' ' LYS . 27.9 t70 -57.3 -48.65 78.37 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.92 0.391 . . . . 2.04 110.775 179.256 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -60.32 -35.39 75.52 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.12 -0.491 . . . . 1.79 111.533 178.519 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 82.7 t80 -60.75 -40.2 91.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.871 0.367 . . . . 0.57 110.644 174.39 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.427 HD13 ' HA ' ' A' ' 33' ' ' ARG . 96.1 mt -63.89 -38.42 91.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.37 110.621 -178.245 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.547 ' HE3' ' OD1' ' A' ' 20' ' ' ASP . 96.9 mttt -61.95 -47.93 82.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.866 -0.606 . . . . 1.88 110.154 178.883 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.93 -36.08 76.26 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.43 -0.805 . . . . 0.44 111.098 179.13 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 19.0 mmm180 -74.9 -11.01 60.03 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.924 -0.58 . . . . 1.29 111.668 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 99.98 11.97 41.37 Favored Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 120.489 -0.863 . . . . 0.62 112.943 176.179 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 94.8 m-85 -84.91 122.04 28.61 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.891 0.377 . . . . 0.64 110.175 177.32 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -78.02 -176.31 45.9 Favored Glycine 0 N--CA 1.445 -0.703 0 CA-C-N 115.664 -0.698 . . . . 1.54 112.014 177.33 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.526 ' O ' ' HG2' ' A' ' 34' ' ' GLN . 42.8 t90 -51.04 -43.48 60.94 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 122.286 0.234 . . . . 1.18 111.625 -178.836 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.819 ' H ' HD12 ' A' ' 31' ' ' ILE . 3.6 mp -56.73 -59.28 3.19 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.774 0 CA-C-O 121.402 0.62 . . . . 2.16 110.004 -175.484 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.706 ' O ' HG12 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -62.89 -40.76 98.54 Favored 'General case' 0 N--CA 1.427 -1.591 0 CA-C-N 115.112 -0.949 . . . . 0.97 110.918 -177.751 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.427 ' HA ' HD13 ' A' ' 23' ' ' LEU . 46.9 mtm105 -57.31 -30.09 64.47 Favored 'General case' 0 C--N 1.33 -0.243 0 O-C-N 123.201 0.313 . . . . 1.87 110.972 178.844 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.526 ' HG2' ' O ' ' A' ' 30' ' ' TRP . 29.4 mm-40 -66.64 -46.8 74.6 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.303 -0.629 . . . . 1.97 109.303 174.605 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 67.3 t -64.68 -58.6 6.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.162 -0.472 . . . . 0.68 111.11 -177.607 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.706 HG12 ' O ' ' A' ' 32' ' ' MET . 2.3 mm -47.68 -48.25 10.96 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.406 0 CA-C-N 116.017 -0.538 . . . . 0.51 111.975 -177.096 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.422 ' HE2' ' O ' ' A' ' 33' ' ' ARG . 52.3 mtmt -77.28 -32.17 55.3 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.224 -0.444 . . . . 0.97 111.68 -174.593 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 14.8 mt -102.6 32.39 3.64 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.838 0.352 . . . . 2.08 110.991 -176.907 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.481 ' O ' HG21 ' A' ' 63' ' ' THR . . . -90.75 -85.08 0.23 Allowed 'General case' 0 N--CA 1.447 -0.618 0 CA-C-O 121.119 0.485 . . . . 1.03 111.031 -178.647 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.473 ' O ' ' HA ' ' A' ' 62' ' ' THR . . . 118.8 115.25 2.62 Favored Glycine 0 C--N 1.308 -0.99 0 N-CA-C 110.66 -0.976 . . . . 0.84 110.66 -167.524 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.983 ' HB ' HG22 ' A' ' 62' ' ' THR . 0.5 OUTLIER -145.07 136.91 20.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-O 121.482 0.658 . . . . 1.3 111.752 -175.755 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 29.3 m -115.23 125.38 53.29 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 114.826 -1.079 . . . . 0.45 110.301 178.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.507 ' HE3' ' SD ' ' A' ' 127' ' ' MET . 74.0 mmtt -88.79 134.31 33.97 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.567 -0.288 . . . . 0.79 110.393 178.583 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.483 ' HB2' ' HB2' ' A' ' 59' ' ' GLU . 51.2 mtpt -129.63 117.06 19.78 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 110.206 -0.294 . . . . 1.96 110.206 177.491 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.467 ' HB3' HD23 ' A' ' 8' ' ' LEU . 74.3 m-85 -118.83 130.19 55.63 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.424 -0.584 . . . . 0.54 109.424 174.68 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 11.2 ptp180 -161.17 167.5 26.01 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.22 0.533 . . . . 3.17 111.612 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ASN . . . . . 0.488 ' HA ' ' CD2' ' A' ' 56' ' ' TYR . 7.4 p30 -66.18 146.18 54.94 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 108.145 -1.058 . . . . 1.85 108.145 170.361 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -47.57 117.22 1.72 Allowed 'General case' 0 CA--C 1.519 -0.246 0 CA-C-O 121.075 0.464 . . . . 0.87 111.74 -172.81 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -46.64 -38.33 9.52 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 114.234 -1.348 . . . . 1.48 113.515 -175.545 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 49.4 m -73.8 14.13 0.42 Allowed 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.671 0.619 . . . . 2.37 112.671 -179.483 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 71.44 22.16 78.61 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.827 -0.702 . . . . 1.91 112.769 178.071 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.415 ' HD2' ' HD2' ' A' ' 53' ' ' PRO . 54.9 tptt -82.89 119.38 74.25 Favored Pre-proline 0 N--CA 1.447 -0.605 0 N-CA-C 109.647 -0.501 . . . . 3.17 109.647 178.297 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.491 ' O ' ' HB3' ' A' ' 54' ' ' ASP . 60.9 Cg_endo -72.68 147.71 45.69 Favored 'Trans proline' 0 C--O 1.238 0.496 0 C-N-CA 122.452 2.101 . . . . 1.84 112.317 -178.666 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.491 ' HB3' ' O ' ' A' ' 53' ' ' PRO . 27.5 t70 82.38 -52.02 0.21 Allowed 'General case' 0 N--CA 1.464 0.27 0 O-C-N 124.306 1.004 . . . . 2.44 109.529 178.47 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 9.8 mpt_? -64.13 141.8 58.64 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.378 -0.828 . . . . 4.1 112.261 173.13 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.491 ' CE1' ' HB2' ' A' ' 3' ' ' LEU . 90.5 m-85 -120.41 169.45 10.3 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.096 -0.956 . . . . 0.97 109.257 174.529 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.425 ' HB2' ' HA ' ' A' ' 70' ' ' LYS . 1.4 p-10 -136.04 151.04 49.46 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.368 -0.604 . . . . 1.1 109.368 171.559 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.446 ' HA ' ' O ' ' A' ' 44' ' ' LYS . 1.9 tmt? -143.08 138.41 29.88 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.901 -0.59 . . . . 0.98 110.01 -171.205 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.483 ' HB2' ' HB2' ' A' ' 44' ' ' LYS . 41.9 mt-10 -127.9 151.1 49.49 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.566 0.698 . . . . 1.11 112.812 -175.741 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.475 ' HB2' ' OG1' ' A' ' 67' ' ' THR . 36.9 m-80 -126.49 85.42 2.38 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 114.311 -1.313 . . . . 1.17 108.896 174.479 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 57.8 mt -84.11 108.77 17.22 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 116.127 -0.488 . . . . 1.67 110.516 -178.603 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.983 HG22 ' HB ' ' A' ' 41' ' ' VAL . 23.6 p -121.39 -179.22 4.0 Favored 'General case' 0 N--CA 1.445 -0.71 0 CA-C-N 116.248 -0.433 . . . . 0.45 109.869 -176.889 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.481 HG21 ' O ' ' A' ' 39' ' ' ALA . 26.9 p -86.1 -26.06 25.47 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-N 116.234 -0.439 . . . . 0.54 111.307 -177.621 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 32.2 mmmt -103.81 -17.85 14.89 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.275 -0.421 . . . . 2.24 110.842 -177.072 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.46 ' HA ' ' HE3' ' A' ' 65' ' ' LYS . 0.0 OUTLIER -137.28 -155.22 0.59 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.058 0.456 . . . . 1.82 111.123 -176.821 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.425 ' H ' ' HB3' ' A' ' 65' ' ' LYS . 6.3 p-10 166.4 98.76 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 114.604 -1.18 . . . . 2.12 108.56 -172.123 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.475 ' OG1' ' HB2' ' A' ' 60' ' ' ASN . 45.7 p -120.65 145.92 46.93 Favored 'General case' 0 C--N 1.307 -1.26 0 CA-C-N 115.39 -0.823 . . . . 0.56 110.142 -177.043 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 8.3 t-160 -140.73 91.98 2.47 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-N 115.858 -0.61 . . . . 1.95 109.925 -175.903 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 7.7 m-70 -68.05 87.33 0.26 Allowed 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 108.397 -0.964 . . . . 0.39 108.397 174.564 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.462 ' H ' ' HG2' ' A' ' 70' ' ' LYS . 12.0 ptpt -92.75 125.92 37.59 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 112.347 0.499 . . . . 2.3 112.347 -173.374 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 17.4 t70 64.77 68.48 0.52 Allowed 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 114.977 -1.01 . . . . 2.07 110.94 173.725 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 70.3 p-90 -119.86 152.65 37.01 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.893 -0.594 . . . . 0.43 110.204 176.606 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.41 ' HB3' ' HG3' ' A' ' 76' ' ' GLU . . . -115.95 138.09 51.51 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-O 120.78 0.324 . . . . 0.55 110.319 178.732 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.571 HD11 HD13 ' A' ' 94' ' ' LEU . 4.6 tt -56.68 129.6 41.81 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.111 -0.495 . . . . 1.71 110.081 175.536 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.482 ' N ' HD23 ' A' ' 74' ' ' LEU . . . 89.4 -0.64 81.11 Favored Glycine 0 N--CA 1.45 -0.421 0 CA-C-N 115.789 -0.641 . . . . 0.59 112.37 -176.608 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.41 ' HG3' ' HB3' ' A' ' 73' ' ' ALA . 51.9 mm-40 -112.42 170.28 8.28 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.328 0.585 . . . . 2.37 110.979 -176.523 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -131.78 131.93 43.35 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.295 -0.866 . . . . 1.4 109.033 -176.222 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 34.9 p90 -136.38 159.6 41.27 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-O 120.612 0.244 . . . . 0.57 110.431 -177.084 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 70.5 mt-30 -91.16 145.59 24.55 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.702 -0.481 . . . . 1.95 109.702 172.695 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.51 ' HB3' HD12 ' A' ' 90' ' ' ILE . 7.8 t70 -167.59 165.19 14.62 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 115.682 -0.69 . . . . 1.26 109.686 -174.356 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.469 ' HA ' ' HA ' ' A' ' 87' ' ' GLN . 35.2 tt0 -98.96 118.89 36.76 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.188 -0.671 . . . . 2.13 109.188 179.73 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.481 ' HB3' ' OD1' ' A' ' 84' ' ' ASP . . . -96.1 178.46 5.4 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.528 -0.76 . . . . 0.95 112.348 -173.359 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.455 HD13 HG23 ' A' ' 67' ' ' THR . 3.1 mm? -63.39 -16.64 61.1 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.338 -0.392 . . . . 1.34 111.227 -177.804 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.481 ' OD1' ' HB3' ' A' ' 82' ' ' ALA . 6.8 p-10 -80.25 14.82 1.77 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.352 -0.385 . . . . 1.55 110.996 177.927 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 53.3 m 75.5 -32.03 0.21 Allowed 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 124.153 0.981 . . . . 1.21 112.712 169.47 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 11.9 p -90.83 165.69 13.49 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 120.827 0.346 . . . . 0.93 110.176 174.871 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' GLN . . . . . 0.469 ' HA ' ' HA ' ' A' ' 81' ' ' GLU . 11.1 pt20 -109.69 152.69 25.28 Favored 'General case' 0 CA--C 1.503 -0.836 0 C-N-CA 120.496 -0.482 . . . . 1.88 109.973 -179.774 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' HIS . . . . . 0.696 ' HB2' ' O ' ' A' ' 105' ' ' ILE . 4.3 p80 -169.05 -172.52 1.56 Allowed 'General case' 0 C--N 1.313 -0.978 0 CA-C-N 115.615 -0.72 . . . . 1.04 111.232 -176.526 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 18.9 ptmt -78.32 142.3 37.83 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-O 120.993 0.425 . . . . 1.49 110.378 -177.135 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.51 HD12 ' HB3' ' A' ' 80' ' ' ASP . 65.4 mt -141.15 124.56 16.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 115.36 -0.836 . . . . 0.54 110.373 -179.356 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 6.1 m -107.94 133.78 51.79 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-O 120.965 0.412 . . . . 0.43 110.49 177.114 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -116.07 130.03 56.62 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.045 -0.724 . . . . 0.6 109.045 175.532 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -170.44 173.66 5.51 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 109.153 -0.684 . . . . 1.69 109.153 -176.769 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.571 HD13 HD11 ' A' ' 74' ' ' LEU . 2.9 mp -109.86 132.22 54.35 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.289 0.566 . . . . 1.12 111.185 -177.356 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 4.7 tmmm? -87.42 -39.67 15.05 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.086 -0.961 . . . . 3.03 108.56 179.035 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -145.81 161.62 39.48 Favored Pre-proline 0 C--N 1.323 -0.577 0 N-CA-C 107.714 -1.217 . . . . 1.79 107.714 172.589 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_exo -62.64 8.33 0.12 Allowed 'Trans proline' 0 N--CA 1.481 0.778 0 C-N-CA 123.581 2.854 . . . . 0.98 114.258 -174.57 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 20.1 t-20 -126.77 -10.57 6.11 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.555 0.217 . . . . 2.32 110.679 179.52 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 16.1 m -129.29 113.33 14.87 Favored 'General case' 0 C--O 1.236 0.389 0 N-CA-C 112.647 0.61 . . . . 0.56 112.647 -174.474 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.466 ' HB3' ' HB2' ' A' ' 118' ' ' TYR . 0.7 OUTLIER -77.61 148.54 35.07 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 107.672 -1.233 . . . . 1.1 107.672 169.002 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.529 HG22 ' HG2' ' A' ' 117' ' ' GLU . 17.0 p -129.15 135.7 49.21 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 118.689 0.677 . . . . 0.41 111.431 176.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 75.5 tt0 -117.25 109.05 16.38 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.512 -0.767 . . . . 1.31 109.928 176.61 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 43.0 m -106.9 119.75 40.2 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.892 -0.41 . . . . 0.51 109.892 179.798 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' HIS . . . . . 0.521 ' HB2' ' CE1' ' A' ' 88' ' ' HIS . 25.4 p80 -119.64 128.3 53.72 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 120.35 -0.54 . . . . 1.69 111.059 179.153 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.696 ' O ' ' HB2' ' A' ' 88' ' ' HIS . 53.0 mt -129.84 132.99 65.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.404 -0.817 . . . . 0.75 109.973 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.584 ' HA ' ' CB ' ' A' ' 88' ' ' HIS . 46.5 mttp -63.39 119.82 10.44 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.282 0.563 . . . . 1.61 112.314 -179.707 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.659 HG13 ' HA ' ' A' ' 88' ' ' HIS . 29.9 m -59.93 -29.94 44.34 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.232 0 CA-C-N 114.893 -1.049 . . . . 1.32 110.71 176.148 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -75.12 -60.31 2.35 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.217 -0.901 . . . . 2.5 110.284 179.517 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' ASP . . . . . 0.42 ' C ' ' H ' ' A' ' 111' ' ' THR . 3.3 m-20 -133.37 99.64 14.42 Favored Pre-proline 0 C--N 1.319 -0.739 0 CA-C-N 115.34 -0.846 . . . . 2.39 109.999 179.549 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 110' ' ' PRO . . . . . 0.414 ' HD2' ' HA ' ' A' ' 109' ' ' ASP . 55.6 Cg_endo -67.73 14.55 0.15 Allowed 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 124.011 3.141 . . . . 0.9 113.148 -178.159 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 111' ' ' THR . . . . . 0.42 ' H ' ' C ' ' A' ' 109' ' ' ASP . 28.7 p -71.5 -32.38 68.16 Favored 'General case' 0 N--CA 1.443 -0.777 0 N-CA-C 109.232 -0.655 . . . . 1.47 109.232 174.687 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -83.62 103.99 13.38 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 114.986 -1.006 . . . . 1.59 110.397 174.634 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.42 HG22 HG12 ' A' ' 105' ' ' ILE . 24.2 t -124.39 132.24 71.62 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.297 0 N-CA-C 108.966 -0.753 . . . . 1.6 108.966 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.506 ' HB3' ' NE2' ' A' ' 104' ' ' HIS . 40.8 tt0 -152.13 145.35 24.66 Favored 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 120.713 -0.395 . . . . 2.78 110.718 177.198 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 30.8 m -131.54 130.38 42.24 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.051 -0.522 . . . . 0.53 111.261 -178.198 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 116' ' ' TYR . . . . . 0.447 ' HB3' ' CE ' ' A' ' 127' ' ' MET . 20.2 m-85 -104.3 154.42 19.83 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 107.54 -1.281 . . . . 0.96 107.54 172.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 117' ' ' GLU . . . . . 0.529 ' HG2' HG22 ' A' ' 101' ' ' THR . 31.7 mt-10 -132.79 129.25 38.32 Favored 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 108.642 -0.873 . . . . 1.27 108.642 179.41 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 118' ' ' TYR . . . . . 0.475 ' HD1' HD11 ' A' ' 125' ' ' LEU . 76.1 m-85 -109.98 98.65 7.9 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.772 0.32 . . . . 0.6 111.0 -176.643 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 2.6 ptp180 -117.37 167.35 11.33 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.067 0.46 . . . . 3.41 111.303 179.448 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 11.8 mmm180 -121.96 119.36 31.28 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.117 -0.492 . . . . 1.96 110.669 179.746 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -101.95 -11.28 19.09 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.638 0.732 . . . . 1.08 109.521 175.331 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -179.85 -131.3 1.61 Allowed Glycine 0 N--CA 1.447 -0.579 0 CA-C-N 115.141 -0.936 . . . . 0.92 111.062 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -88.24 24.24 1.93 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.057 0.456 . . . . 2.31 110.96 178.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 82.7 m-85 -128.92 138.16 51.84 Favored 'General case' 0 N--CA 1.444 -0.754 0 N-CA-C 109.234 -0.654 . . . . 0.67 109.234 -179.156 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.475 HD11 ' HD1' ' A' ' 118' ' ' TYR . 2.2 tm? -76.33 102.38 5.88 Favored 'General case' 0 N--CA 1.436 -1.166 0 N-CA-C 107.088 -1.449 . . . . 1.03 107.088 171.766 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 19.1 t -94.85 103.98 15.3 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.866 0 N-CA-C 108.545 -0.909 . . . . 0.47 108.545 -173.471 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 127' ' ' MET . . . . . 0.507 ' SD ' ' HE3' ' A' ' 43' ' ' LYS . 28.1 ttt -95.43 140.85 29.71 Favored 'General case' 0 C--N 1.302 -1.487 0 CA-C-N 114.521 -1.218 . . . . 1.08 109.771 -172.911 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 128' ' ' LYS . . . . . 0.454 ' HB3' ' HB2' ' A' ' 117' ' ' GLU . 47.4 tttm -125.95 136.87 53.51 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-O 120.931 0.396 . . . . 2.2 110.062 -176.345 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 129' ' ' MET . . . . . 0.451 ' HB2' ' CG2' ' A' ' 136' ' ' THR . 44.8 mtp -137.27 130.74 31.31 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 108.496 -0.927 . . . . 1.11 108.496 179.681 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 8.1 p -141.92 132.26 25.05 Favored 'General case' 0 C--N 1.323 -0.586 0 C-N-CA 120.518 -0.473 . . . . 1.06 111.983 -177.185 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 131' ' ' TRP . . . . . . . . . . . . . 56.8 t-105 -147.51 132.88 18.54 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.51 -0.768 . . . . 0.76 110.109 177.334 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 68.1 mttm 54.11 37.48 27.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.685 -0.689 . . . . 1.96 111.604 -178.072 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 85.47 -27.96 4.99 Favored Glycine 0 N--CA 1.451 -0.323 0 CA-C-N 115.999 -0.546 . . . . 0.53 113.094 -179.608 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 16.4 t -76.77 108.43 9.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 120.927 0.394 . . . . 0.43 110.034 -178.083 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 32.1 t -109.13 159.5 16.84 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.788 0.804 . . . . 1.14 110.81 -179.702 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 136' ' ' THR . . . . . 0.451 ' CG2' ' HB2' ' A' ' 129' ' ' MET . 4.7 t -142.06 141.62 32.78 Favored 'General case' 0 C--N 1.307 -1.269 0 CA-C-N 114.275 -1.33 . . . . 0.4 110.758 -179.355 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -102.67 101.29 11.4 Favored 'General case' 0 N--CA 1.446 -0.631 0 N-CA-C 109.159 -0.682 . . . . 0.79 109.159 174.817 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 138' ' ' ARG . . . . . 0.494 ' HB3' ' HB3' ' A' ' 127' ' ' MET . 16.2 tpt180 -85.56 103.12 14.12 Favored 'General case' 0 C--N 1.317 -0.845 0 N-CA-C 108.749 -0.834 . . . . 1.84 108.749 -178.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 -85.63 110.2 19.1 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.113 0.482 . . . . 0.64 111.902 -171.704 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 86.2 m-85 -106.18 127.79 53.46 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.727 -0.67 . . . . 0.6 109.963 173.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 141' ' ' LYS . . . . . 0.5 ' HD3' ' O ' ' A' ' 142' ' ' LYS . 0.0 OUTLIER -108.51 158.7 17.31 Favored 'General case' 0 C--O 1.21 -1.004 0 N-CA-C 108.062 -1.088 . . . . 1.92 108.062 178.619 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 142' ' ' LYS . . . . . 0.5 ' O ' ' HD3' ' A' ' 141' ' ' LYS . 78.3 tttt -47.41 162.29 0.07 Allowed 'General case' 0 CA--C 1.546 0.8 0 CA-C-O 121.896 0.855 . . . . 2.13 113.075 -178.443 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 3.8 mm100 . . . . . 0 C--O 1.246 0.889 0 O-C-N 121.328 -0.857 . . . . 1.46 110.263 159.042 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 19.3 m . . . . . 0 C--O 1.233 0.186 0 N-CA-C 110.039 -0.356 . . . . 0.99 110.039 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.589 HD23 ' HD2' ' A' ' 4' ' ' PRO . 0.2 OUTLIER -60.32 117.32 23.16 Favored Pre-proline 0 C--O 1.234 0.244 0 O-C-N 123.331 0.395 . . . . 0.59 111.067 -174.065 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 4' ' ' PRO . . . . . 0.589 ' HD2' HD23 ' A' ' 3' ' ' LEU . 44.8 Cg_exo -56.99 122.2 11.42 Favored 'Trans proline' 0 N--CA 1.461 -0.434 0 C-N-CA 122.922 2.414 . . . . 0.61 111.291 174.159 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -55.05 -24.36 24.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.616 -0.72 . . . . 2.19 111.663 -177.335 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.15 -14.73 26.85 Favored 'General case' 0 CA--C 1.534 0.361 0 N-CA-C 112.53 0.567 . . . . 2.53 112.53 178.442 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.454 ' HZ ' ' C ' ' A' ' 98' ' ' ASN . 24.0 m-85 -96.91 -3.46 41.84 Favored 'General case' 0 C--N 1.33 -0.268 0 O-C-N 121.932 -0.48 . . . . 0.6 111.222 179.014 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.551 HD23 ' HB3' ' A' ' 45' ' ' PHE . 97.2 mt -92.86 149.84 21.0 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.285 0.564 . . . . 0.46 111.889 -170.646 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 128.0 170.35 12.81 Favored Glycine 0 N--CA 1.442 -0.919 0 CA-C-N 115.195 -0.911 . . . . 0.52 111.568 -179.137 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.454 HG22 ' HG3' ' A' ' 143' ' ' GLN . 57.0 m -101.24 123.55 45.53 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 109.347 -0.612 . . . . 1.05 109.347 175.578 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.528 ' HA ' ' HA ' ' A' ' 142' ' ' LYS . 55.6 m-85 -116.02 138.08 51.54 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.574 -0.284 . . . . 0.47 111.536 -174.095 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' ' 141' ' ' LYS . 14.6 ptmm? -84.47 -165.97 1.32 Allowed 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 109.266 -0.642 . . . . 2.19 109.266 165.491 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.5 tt -121.71 125.23 46.13 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 107.852 -1.166 . . . . 1.14 107.852 -176.27 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -92.94 -57.62 2.59 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.723 0.297 . . . . 2.08 110.753 179.109 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 23.3 ptt180 -156.41 179.37 9.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.994 0.426 . . . . 3.36 110.97 -176.358 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -138.32 172.31 13.1 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.733 -0.667 . . . . 1.19 110.05 178.691 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -153.64 118.7 5.08 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.496 -0.32 . . . . 2.66 110.979 -177.454 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 63.31 29.27 15.79 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-O 121.761 0.791 . . . . 0.76 110.775 174.916 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.463 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 4.6 t80 -80.88 -33.91 33.98 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.451 -0.795 . . . . 0.49 110.513 -176.35 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.51 ' O ' ' HG3' ' A' ' 24' ' ' LYS . 2.1 m-20 -53.08 -57.69 9.55 Favored 'General case' 0 CA--C 1.515 -0.367 0 N-CA-C 109.865 -0.421 . . . . 2.04 109.865 172.372 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.44 ' HA ' ' HD2' ' A' ' 24' ' ' LYS . 8.9 mp0 -51.26 -44.62 61.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.314 -0.857 . . . . 1.79 111.5 178.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.509 ' OH ' ' HG3' ' A' ' 114' ' ' GLU . 78.1 t80 -59.28 -44.56 92.46 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 116.432 -0.349 . . . . 0.57 111.079 177.007 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.463 ' HG ' ' O ' ' A' ' 19' ' ' PHE . 97.2 mt -66.85 -35.58 80.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.964 0.411 . . . . 0.37 110.008 -177.524 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.51 ' HG3' ' O ' ' A' ' 20' ' ' ASP . 94.3 mttt -61.32 -52.61 63.94 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.759 -0.655 . . . . 1.88 109.89 175.697 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.37 -36.77 69.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.169 -0.923 . . . . 0.44 111.208 177.631 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 8.9 mmm180 -67.08 -18.66 65.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.763 -0.653 . . . . 1.29 111.521 179.641 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 106.8 -1.3 36.12 Favored Glycine 0 N--CA 1.447 -0.624 0 C-N-CA 120.485 -0.864 . . . . 0.62 113.17 179.381 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 72.7 m-85 -69.85 112.12 6.06 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.243 0.544 . . . . 0.64 109.824 179.374 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -62.83 -55.65 25.63 Favored Glycine 0 C--N 1.333 0.38 0 CA-C-N 114.617 -1.174 . . . . 1.54 113.868 -172.775 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.408 ' O ' ' HG2' ' A' ' 34' ' ' GLN . 87.6 t90 -167.04 -58.22 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 117.229 0.515 . . . . 1.18 111.36 -179.203 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.413 ' HA ' HD13 ' A' ' 31' ' ' ILE . 1.0 OUTLIER -51.81 -50.71 31.5 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.155 0 O-C-N 123.319 0.387 . . . . 2.16 111.885 -178.024 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 55.4 mmm -59.03 -36.85 75.68 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.115 -0.493 . . . . 0.97 111.539 178.746 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.499 ' NH1' ' HG2' ' A' ' 24' ' ' LYS . 16.6 mtm180 -67.71 -24.63 65.41 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.008 0.432 . . . . 1.87 110.073 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.579 ' O ' HD23 ' A' ' 38' ' ' LEU . 29.8 mm-40 -77.29 -31.17 54.62 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.892 -0.594 . . . . 1.97 110.214 177.353 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.492 ' CG1' ' HG3' ' A' ' 64' ' ' LYS . 94.6 t -84.06 -63.33 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-O 120.806 0.336 . . . . 0.68 111.25 -179.364 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 88.6 mt -41.39 -46.07 0.8 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.486 0 C-N-CA 124.275 1.03 . . . . 0.51 113.656 179.672 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 43.7 mtmt -74.55 -25.85 59.58 Favored 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 112.177 0.436 . . . . 0.97 112.177 -176.642 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.579 HD23 ' O ' ' A' ' 34' ' ' GLN . 4.5 mm? -95.1 7.92 44.62 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.175 0.512 . . . . 2.08 110.754 -174.309 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -85.24 117.27 24.08 Favored 'General case' 0 N--CA 1.444 -0.77 0 CA-C-N 115.747 -0.66 . . . . 1.03 110.114 177.027 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.649 ' O ' ' HA ' ' A' ' 62' ' ' THR . . . -68.4 119.49 10.4 Favored Glycine 0 N--CA 1.445 -0.736 0 N-CA-C 110.649 -0.98 . . . . 0.84 110.649 173.7 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 51.9 t -109.18 120.51 60.64 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.761 0 CA-C-O 121.026 0.441 . . . . 1.3 111.097 -172.786 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.451 ' HB ' ' HB2' ' A' ' 61' ' ' LEU . 90.0 m -104.44 102.57 12.22 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.785 -0.643 . . . . 0.45 109.371 173.539 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 15.0 tppt? -81.06 123.15 28.14 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.895 -0.593 . . . . 0.79 109.804 -178.443 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.489 ' O ' ' HG2' ' A' ' 58' ' ' MET . 89.8 mttt -119.28 122.07 41.05 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 111.899 0.333 . . . . 1.96 111.899 -176.821 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.551 ' HB3' HD23 ' A' ' 8' ' ' LEU . 76.0 m-85 -123.02 137.5 54.93 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.005 -0.739 . . . . 0.54 109.005 168.116 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.545 ' HG3' ' HB3' ' A' ' 57' ' ' ASP . 1.0 OUTLIER -161.4 157.78 25.76 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.955 0.407 . . . . 3.17 111.042 -173.469 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 17.6 m120 -64.81 144.09 57.49 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 108.83 -0.804 . . . . 1.85 108.83 172.043 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.74 141.34 58.8 Favored 'General case' 0 CA--C 1.514 -0.412 0 CA-C-O 121.695 0.759 . . . . 0.87 110.735 -175.893 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.25 -28.53 68.79 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 114.377 -1.283 . . . . 1.48 111.113 -172.103 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 5.9 m -58.3 -9.14 1.37 Allowed 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 112.759 0.652 . . . . 2.37 112.759 174.58 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 68.52 29.6 72.97 Favored Glycine 0 C--N 1.334 0.419 0 C-N-CA 120.98 -0.629 . . . . 1.91 112.672 179.719 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 30.7 mtpp -106.57 145.08 30.31 Favored Pre-proline 0 C--N 1.324 -0.528 0 CA-C-O 120.801 0.334 . . . . 3.17 110.805 -177.35 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.526 ' O ' ' HB3' ' A' ' 54' ' ' ASP . 74.4 Cg_endo -73.29 147.25 41.65 Favored 'Trans proline' 0 C--O 1.237 0.437 0 C-N-CA 122.915 2.41 . . . . 1.84 111.576 179.608 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.526 ' HB3' ' O ' ' A' ' 53' ' ' PRO . 0.9 OUTLIER 78.52 -41.51 0.3 Allowed 'General case' 0 N--CA 1.467 0.423 0 O-C-N 123.871 0.732 . . . . 2.44 110.491 178.621 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.443 ' HD3' ' HB2' ' A' ' 73' ' ' ALA . 21.8 mmt180 -67.42 127.65 33.5 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-O 121.644 0.735 . . . . 4.1 111.115 171.671 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.48 ' CE1' ' HB2' ' A' ' 3' ' ' LEU . 83.1 m-85 -126.64 174.06 9.0 Favored 'General case' 0 C--N 1.31 -1.117 0 CA-C-N 114.908 -1.042 . . . . 0.97 109.901 175.572 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.659 ' OD2' ' HA ' ' A' ' 70' ' ' LYS . 16.4 t70 -133.68 146.9 51.27 Favored 'General case' 0 C--N 1.315 -0.892 0 N-CA-C 108.801 -0.814 . . . . 1.1 108.801 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.489 ' HG2' ' O ' ' A' ' 44' ' ' LYS . 1.4 tmt? -149.27 136.85 20.25 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 121.037 -0.265 . . . . 0.98 110.734 -173.335 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.457 ' HG2' ' HA ' ' A' ' 68' ' ' HIS . 47.9 mt-10 -135.74 155.16 50.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.503 0.668 . . . . 1.11 112.534 -176.862 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.574 ' HB2' ' OG1' ' A' ' 67' ' ' THR . 83.1 m-20 -127.77 98.06 5.05 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 114.571 -1.195 . . . . 1.17 109.65 176.786 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.451 ' HB2' ' HB ' ' A' ' 42' ' ' THR . 84.0 mt -96.48 132.45 42.03 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 109.964 -0.384 . . . . 1.67 109.964 177.667 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.649 ' HA ' ' O ' ' A' ' 40' ' ' GLY . 44.4 p -135.42 -154.05 0.55 Allowed 'General case' 0 N--CA 1.448 -0.536 0 CA-C-N 116.543 -0.298 . . . . 0.45 110.4 -176.445 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.406 HG23 ' H ' ' A' ' 40' ' ' GLY . 47.8 p -106.24 -32.92 7.98 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 121.414 0.626 . . . . 0.54 110.733 179.303 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.492 ' HG3' ' CG1' ' A' ' 35' ' ' VAL . 10.0 mmpt? -106.56 -11.91 15.75 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.865 -0.607 . . . . 2.24 111.327 -174.471 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.505 ' HE3' ' O ' ' A' ' 82' ' ' ALA . 4.5 tmtt? -146.2 -150.67 0.34 Allowed 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.118 0.485 . . . . 1.82 110.808 -176.686 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.483 ' H ' ' HD2' ' A' ' 65' ' ' LYS . 3.8 p30 161.58 123.42 0.0 OUTLIER 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 114.32 -1.309 . . . . 2.12 108.263 -171.285 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.574 ' OG1' ' HB2' ' A' ' 60' ' ' ASN . 49.3 p -136.48 141.07 43.47 Favored 'General case' 0 C--N 1.315 -0.92 0 N-CA-C 108.701 -0.852 . . . . 0.56 108.701 178.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.457 ' HA ' ' HG2' ' A' ' 59' ' ' GLU . 0.0 OUTLIER -138.69 91.44 2.53 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 122.064 0.935 . . . . 1.95 111.666 -169.97 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 2.9 m-70 -68.76 85.72 0.32 Allowed 'General case' 0 C--N 1.313 -0.982 0 CA-C-N 114.806 -1.088 . . . . 0.39 109.66 177.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.659 ' HA ' ' OD2' ' A' ' 57' ' ' ASP . 30.7 mtmt -79.43 118.92 21.76 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.762 0.653 . . . . 2.3 112.762 -175.493 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 9.1 t70 59.06 77.73 0.29 Allowed 'General case' 0 N--CA 1.469 0.518 0 O-C-N 123.875 0.734 . . . . 2.07 111.632 168.856 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' TRP . . . . . 0.429 ' HE1' ' N ' ' A' ' 58' ' ' MET . 66.7 p-90 -125.05 163.2 22.88 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.17 -0.468 . . . . 0.43 111.138 -178.705 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.534 ' O ' ' HB3' ' A' ' 76' ' ' GLU . . . -124.71 150.35 46.27 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.964 -0.562 . . . . 0.55 110.276 172.934 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.657 HD13 ' H ' ' A' ' 74' ' ' LEU . 0.0 OUTLIER -67.55 140.68 56.98 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-O 121.657 0.741 . . . . 1.71 109.788 170.524 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 84.74 2.54 88.62 Favored Glycine 0 C--N 1.312 -0.76 0 CA-C-N 115.021 -0.991 . . . . 0.59 112.09 -169.735 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.534 ' HB3' ' O ' ' A' ' 73' ' ' ALA . 43.0 tt0 -107.17 150.71 26.31 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 121.153 0.501 . . . . 2.37 111.364 -177.208 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -120.67 118.54 30.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.291 -0.868 . . . . 1.4 109.142 178.866 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 38.5 p90 -139.34 159.7 41.55 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.532 0.206 . . . . 0.57 110.763 -175.914 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 54.5 tt0 -92.75 152.86 19.25 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.482 -0.326 . . . . 1.95 110.393 178.669 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.418 ' HB3' ' CD1' ' A' ' 90' ' ' ILE . 25.3 t0 -166.74 175.9 7.52 Favored 'General case' 0 C--O 1.236 0.36 0 N-CA-C 109.726 -0.472 . . . . 1.26 109.726 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -80.2 128.57 33.68 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.946 -0.391 . . . . 2.13 109.946 -179.423 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.505 ' O ' ' HE3' ' A' ' 65' ' ' LYS . . . -80.56 153.92 27.78 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 116.041 -0.527 . . . . 0.95 111.428 173.839 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.514 HD22 ' H ' ' A' ' 83' ' ' LEU . 3.1 mm? -58.43 -24.81 61.19 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 122.208 1.004 . . . . 1.34 109.1 171.071 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -81.05 1.76 30.06 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 113.762 -1.563 . . . . 1.55 111.134 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 55.9 m 67.14 42.73 2.26 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 115.356 -0.838 . . . . 1.21 112.316 178.019 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 1.9 p -127.55 160.44 31.54 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.851 -0.613 . . . . 0.93 110.139 173.46 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 12.7 mm100 -91.97 81.08 5.13 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.106 -0.701 . . . . 1.88 109.106 -178.293 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' HIS . . . . . 0.482 ' HA ' HG13 ' A' ' 107' ' ' VAL . 9.6 p-80 -101.75 155.26 18.23 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.276 -0.875 . . . . 1.04 112.637 -160.567 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 20.3 ttmm -72.83 140.8 47.86 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 114.853 -1.067 . . . . 1.49 110.919 176.573 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.418 ' CD1' ' HB3' ' A' ' 80' ' ' ASP . 63.7 mt -132.66 145.65 34.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 116.139 -0.482 . . . . 0.54 110.401 177.301 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 49.1 m -135.28 129.29 33.33 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 116.356 -0.384 . . . . 0.43 109.974 170.842 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -108.51 138.53 44.66 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 108.875 -0.787 . . . . 0.6 108.875 177.214 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -161.02 145.85 13.92 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 110.015 -0.365 . . . . 1.69 110.015 -178.795 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -88.95 118.3 28.57 Favored 'General case' 0 C--N 1.317 -0.84 0 N-CA-C 109.247 -0.649 . . . . 1.12 109.247 175.683 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 52.4 tttp -92.1 -53.84 4.08 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 108.814 -0.81 . . . . 3.03 108.814 -175.601 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -123.46 163.05 36.75 Favored Pre-proline 0 C--N 1.32 -0.707 0 N-CA-C 108.201 -1.037 . . . . 1.79 108.201 173.906 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_exo -67.71 4.39 1.42 Allowed 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.998 2.465 . . . . 0.98 112.386 -176.271 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' ASN . . . . . 0.454 ' C ' ' HZ ' ' A' ' 7' ' ' PHE . 54.6 m-80 -142.58 24.57 1.89 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.521 -0.763 . . . . 2.32 109.975 178.828 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 55.5 m -152.33 108.31 3.37 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 121.22 0.533 . . . . 0.56 111.766 179.75 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.43 ' CD1' HD21 ' A' ' 3' ' ' LEU . 0.4 OUTLIER -82.63 151.81 26.15 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 107.884 -1.154 . . . . 1.1 107.884 171.179 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.479 HG22 ' HG2' ' A' ' 117' ' ' GLU . 19.6 p -129.51 136.17 49.52 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 118.925 0.784 . . . . 0.41 111.507 175.589 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -118.41 103.07 9.42 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.67 -0.695 . . . . 1.31 109.685 174.35 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 36.1 m -85.98 101.92 13.33 Favored 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 108.904 -0.776 . . . . 0.51 108.904 176.587 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' HIS . . . . . 0.481 ' HB2' ' CD2' ' A' ' 88' ' ' HIS . 6.5 p80 -102.92 106.35 16.88 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.696 0.76 . . . . 1.69 110.71 -175.926 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 10.9 mt -99.17 121.48 49.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 114.41 -1.268 . . . . 0.75 111.695 -174.74 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -62.56 112.74 2.61 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.02 -0.536 . . . . 1.61 110.681 171.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.482 HG13 ' HA ' ' A' ' 88' ' ' HIS . 14.6 m -63.67 -18.96 23.23 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 115.507 -0.769 . . . . 1.32 111.782 176.928 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -73.04 -44.77 60.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.321 0.581 . . . . 2.5 110.208 178.034 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -151.88 102.23 2.85 Favored Pre-proline 0 C--N 1.323 -0.548 0 CA-C-N 115.23 -0.896 . . . . 2.39 109.06 177.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -74.2 19.98 0.42 Allowed 'Trans proline' 0 C--N 1.33 -0.437 0 C-N-CA 123.239 2.626 . . . . 0.9 114.283 -175.059 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 62.7 p -113.46 -7.88 13.41 Favored 'General case' 0 C--N 1.328 -0.327 0 O-C-N 121.931 -0.48 . . . . 1.47 110.659 172.129 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -102.08 29.27 5.17 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 122.101 0.953 . . . . 1.59 109.306 177.829 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 17.7 m -82.44 -175.36 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 114.88 -1.054 . . . . 1.6 111.699 -172.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.509 ' HG3' ' OH ' ' A' ' 22' ' ' TYR . 0.0 OUTLIER -167.06 170.21 12.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.95 -0.568 . . . . 2.78 110.712 174.744 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 90.5 m -135.77 132.93 37.41 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.063 -0.517 . . . . 0.53 111.126 -178.714 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 116' ' ' TYR . . . . . 0.493 ' HB3' ' SD ' ' A' ' 127' ' ' MET . 36.5 m-85 -91.99 150.84 20.78 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 107.477 -1.305 . . . . 0.96 107.477 172.006 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 117' ' ' GLU . . . . . 0.479 ' HG2' HG22 ' A' ' 101' ' ' THR . 28.4 mt-10 -131.46 99.77 4.93 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 107.696 -1.224 . . . . 1.27 107.696 174.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 89.8 m-85 -80.57 97.62 7.26 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 116.268 -0.424 . . . . 0.6 110.682 -175.338 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 119' ' ' ARG . . . . . 0.518 ' HG3' ' HB ' ' A' ' 126' ' ' VAL . 2.9 ptp180 -102.95 157.94 16.63 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.967 -0.56 . . . . 3.41 110.214 177.769 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 11.6 tpt180 -108.52 114.25 27.92 Favored 'General case' 0 C--N 1.317 -0.825 0 N-CA-C 109.529 -0.545 . . . . 1.96 109.529 176.267 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -114.02 79.53 1.27 Allowed 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.34 -0.615 . . . . 1.08 109.34 179.749 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 81.56 -120.98 5.29 Favored Glycine 0 N--CA 1.444 -0.775 0 CA-C-N 115.433 -0.803 . . . . 0.92 111.661 -177.761 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 23.8 m-20 -93.45 2.34 56.51 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.845 0.355 . . . . 2.31 110.464 -179.725 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 124' ' ' TYR . . . . . 0.69 ' CD2' ' HB3' ' A' ' 141' ' ' LYS . 95.3 m-85 -112.88 129.86 56.31 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.204 0.526 . . . . 0.67 111.458 -175.265 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -79.57 115.53 19.25 Favored 'General case' 0 N--CA 1.442 -0.834 0 N-CA-C 106.423 -1.695 . . . . 1.03 106.423 169.874 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 0.518 ' HB ' ' HG3' ' A' ' 119' ' ' ARG . 86.9 t -109.52 121.61 62.8 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.047 0 C-N-CA 120.231 -0.588 . . . . 0.47 110.551 -170.126 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 127' ' ' MET . . . . . 0.493 ' SD ' ' HB3' ' A' ' 116' ' ' TYR . 44.7 tpp -76.91 122.22 24.55 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 115.16 -0.927 . . . . 1.08 109.249 175.51 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 14.7 tptm -115.88 107.96 15.68 Favored 'General case' 0 C--N 1.312 -1.037 0 N-CA-C 108.413 -0.958 . . . . 2.2 108.413 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 32.9 ttp -136.38 137.78 40.91 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 109.714 -0.476 . . . . 1.11 109.714 -176.486 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 130' ' ' SER . . . . . 0.406 ' HA ' ' O ' ' A' ' 134' ' ' VAL . 12.1 p -143.28 129.07 19.37 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.295 0.569 . . . . 1.06 111.895 -176.745 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 131' ' ' TRP . . . . . . . . . . . . . 63.4 t-105 -136.36 129.52 31.44 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.09 -0.959 . . . . 0.76 109.69 -178.871 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 24.8 mtpp 54.98 44.8 27.66 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.237 0.541 . . . . 1.96 111.782 -178.461 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 78.18 -12.18 20.06 Favored Glycine 0 N--CA 1.451 -0.309 0 CA-C-N 115.776 -0.647 . . . . 0.53 113.063 178.347 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 134' ' ' VAL . . . . . 0.406 ' O ' ' HA ' ' A' ' 130' ' ' SER . 47.0 t -88.74 107.72 18.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-O 120.861 0.362 . . . . 0.43 110.651 -178.122 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -97.18 139.28 33.39 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.027 -0.533 . . . . 1.14 111.062 178.644 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 3.9 t -131.62 133.69 45.21 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.803 -0.635 . . . . 0.4 110.114 176.896 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 69.6 m -112.06 123.85 51.14 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.865 -0.42 . . . . 0.79 109.865 175.198 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 138' ' ' ARG . . . . . 0.49 ' HB3' ' HB3' ' A' ' 127' ' ' MET . 15.7 ttp-105 -116.78 128.98 55.81 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 109.602 -0.518 . . . . 1.84 109.602 -179.13 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 53.6 m-85 -100.53 114.39 27.98 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.884 -0.598 . . . . 0.64 111.296 -167.419 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 -108.67 146.46 33.41 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.324 -0.853 . . . . 0.6 109.539 177.891 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 141' ' ' LYS . . . . . 0.69 ' HB3' ' CD2' ' A' ' 124' ' ' TYR . 0.0 OUTLIER -137.04 159.93 40.45 Favored 'General case' 0 C--N 1.31 -1.124 0 N-CA-C 107.927 -1.138 . . . . 1.92 107.927 175.862 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 142' ' ' LYS . . . . . 0.632 ' O ' ' HD3' ' A' ' 141' ' ' LYS . 13.2 tmtt? -44.8 153.35 0.18 Allowed 'General case' 0 CA--C 1.553 1.06 0 CA-C-O 121.421 0.629 . . . . 2.13 112.59 -174.903 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 143' ' ' GLN . . . . . 0.454 ' HG3' HG22 ' A' ' 10' ' ' THR . 41.8 mm-40 . . . . . 0 C--O 1.247 0.947 0 O-C-N 121.094 -1.004 . . . . 1.46 111.239 168.387 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 29.6 m . . . . . 0 N--CA 1.447 -0.606 0 N-CA-C 108.232 -1.025 . . . . 0.99 108.232 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.541 ' HB2' ' CE1' ' A' ' 56' ' ' TYR . 2.7 mt -61.68 119.88 51.44 Favored Pre-proline 0 CA--C 1.516 -0.359 0 CA-C-O 120.712 0.291 . . . . 0.59 110.831 -177.571 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_endo -72.17 140.01 33.44 Favored 'Trans proline' 0 N--CA 1.451 -1.008 0 C-N-CA 122.074 1.849 . . . . 0.61 110.88 175.604 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ASP . . . . . 0.462 ' HA ' HD12 ' A' ' 8' ' ' LEU . 7.3 t70 -51.83 -25.99 8.94 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 114.915 -1.039 . . . . 2.19 112.164 -176.157 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp -44.15 -45.64 8.37 Favored 'General case' 0 CA--C 1.531 0.242 0 N-CA-C 112.415 0.524 . . . . 2.53 112.415 174.202 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.406 ' CD1' ' HG2' ' A' ' 120' ' ' ARG . 49.3 m-85 -91.8 5.91 48.09 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.811 -0.356 . . . . 0.6 111.827 -172.362 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.462 HD12 ' HA ' ' A' ' 5' ' ' ASP . 97.1 mt -101.68 135.6 42.93 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.452 0.644 . . . . 0.46 111.657 -174.235 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 139.85 174.07 13.55 Favored Glycine 0 N--CA 1.442 -0.902 0 CA-C-N 114.706 -1.133 . . . . 0.52 111.282 -177.202 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 7.1 m -110.42 132.67 53.97 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 109.616 -0.513 . . . . 1.05 109.616 177.006 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.638 ' HA ' ' HA ' ' A' ' 142' ' ' LYS . 14.6 m-85 -128.02 138.91 52.77 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 111.761 0.282 . . . . 0.47 111.761 -173.895 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' ' 141' ' ' LYS . 47.8 mtpt -77.65 -167.57 0.99 Allowed 'General case' 0 CA--C 1.532 0.279 0 CA-C-O 120.968 0.413 . . . . 2.19 109.984 168.326 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 52.7 tp -129.4 117.56 20.77 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.174 -0.676 . . . . 1.14 109.174 -176.869 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -106.52 -44.63 4.45 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 120.55 -0.46 . . . . 2.08 112.228 -173.371 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 10.5 tpt180 -142.78 154.33 44.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.239 0.543 . . . . 3.36 111.915 -173.793 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -142.06 147.36 36.67 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.492 -0.776 . . . . 1.19 109.232 173.683 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 32.1 mm-40 -138.41 126.35 22.54 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.646 -0.252 . . . . 2.66 110.94 -175.857 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 62.9 t30 70.03 23.2 5.45 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-O 121.698 0.761 . . . . 0.76 110.676 176.1 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 39.8 t80 -76.8 -39.74 50.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.46 -0.791 . . . . 0.49 111.353 -173.602 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.409 ' OD1' ' HD2' ' A' ' 33' ' ' ARG . 10.8 t0 -56.75 -51.01 70.52 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.904 0.383 . . . . 2.04 110.103 176.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 31.1 mm-40 -53.33 -42.61 66.9 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-N 115.578 -0.737 . . . . 1.79 110.855 177.784 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 89.1 t80 -60.42 -40.7 92.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.912 -0.585 . . . . 0.57 111.136 177.264 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 76.4 mt -64.71 -38.78 92.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.725 0.297 . . . . 0.37 110.497 -178.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 54.6 mttm -61.73 -47.83 83.46 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.439 0.637 . . . . 1.88 109.754 177.564 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.17 -40.44 89.96 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 114.764 -1.107 . . . . 0.44 111.418 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.432 HH11 ' HD2' ' A' ' 26' ' ' ARG . 12.0 mmm180 -70.79 -13.79 62.18 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.951 -0.568 . . . . 1.29 111.745 -179.074 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 95.79 26.26 11.97 Favored Glycine 0 N--CA 1.446 -0.679 0 C-N-CA 120.44 -0.886 . . . . 0.62 112.702 177.351 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 71.5 m-85 -96.13 122.06 38.57 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.009 0.433 . . . . 0.64 110.301 178.169 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -83.48 -168.52 43.55 Favored Glycine 0 N--CA 1.446 -0.695 0 CA-C-N 115.516 -0.766 . . . . 1.54 111.829 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.486 ' O ' ' HG2' ' A' ' 34' ' ' GLN . 66.9 t90 -53.06 -47.25 68.61 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 112.337 0.495 . . . . 1.18 112.337 -175.733 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.704 ' H ' HD12 ' A' ' 31' ' ' ILE . 3.6 mp -55.12 -60.23 1.79 Allowed 'Isoleucine or valine' 0 CA--C 1.503 -0.828 0 CA-C-O 121.416 0.627 . . . . 2.16 110.294 -174.274 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.508 ' O ' HG13 ' A' ' 36' ' ' ILE . 62.6 mmm -64.47 -32.1 73.59 Favored 'General case' 0 N--CA 1.427 -1.601 0 CA-C-N 115.157 -0.929 . . . . 0.97 110.763 -175.788 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.409 ' HD2' ' OD1' ' A' ' 20' ' ' ASP . 18.7 ttp180 -67.24 -28.94 68.47 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.908 -0.587 . . . . 1.87 110.293 -177.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.591 ' O ' HD23 ' A' ' 38' ' ' LEU . 12.5 mm100 -78.45 -25.94 46.05 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.978 -0.555 . . . . 1.97 111.119 176.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 90.7 t -85.49 -62.16 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-O 120.83 0.348 . . . . 0.68 110.79 178.112 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.508 HG13 ' O ' ' A' ' 32' ' ' MET . 56.0 mt -48.03 -44.38 11.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.234 -0.894 . . . . 0.51 113.192 -178.419 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 46.4 mtmt -74.53 -29.37 61.36 Favored 'General case' 0 N--CA 1.467 0.405 0 O-C-N 121.955 -0.466 . . . . 0.97 111.769 -178.607 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.591 HD23 ' O ' ' A' ' 34' ' ' GLN . 3.9 mm? -96.36 22.29 8.01 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.198 0.523 . . . . 2.08 110.425 -176.892 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -115.63 123.61 48.84 Favored 'General case' 0 N--CA 1.443 -0.787 0 CA-C-N 115.612 -0.722 . . . . 1.03 110.126 177.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -82.88 161.65 40.2 Favored Glycine 0 N--CA 1.444 -0.802 0 N-CA-C 110.409 -1.077 . . . . 0.84 110.409 174.062 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.983 ' HB ' HG22 ' A' ' 62' ' ' THR . 0.5 OUTLIER -153.98 139.3 10.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-O 121.34 0.591 . . . . 1.3 111.464 -176.853 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 58.9 m -113.26 122.42 47.4 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 114.997 -1.001 . . . . 0.45 110.121 -178.874 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.617 ' HE2' ' SD ' ' A' ' 127' ' ' MET . 39.1 mmtm -87.18 130.27 34.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.352 -0.386 . . . . 0.79 110.151 178.292 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.454 ' O ' ' HA ' ' A' ' 58' ' ' MET . 41.2 ttmt -131.23 101.64 5.65 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.619 0.247 . . . . 1.96 111.338 -176.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 80.8 m-85 -108.62 130.78 55.31 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 108.858 -0.793 . . . . 0.54 108.858 177.212 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.494 ' HG3' ' HB3' ' A' ' 57' ' ' ASP . 33.7 ptt180 -161.67 172.33 16.44 Favored 'General case' 0 C--N 1.318 -0.791 0 C-N-CA 120.925 -0.31 . . . . 3.17 110.864 -177.322 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 24.8 m-80 -66.55 157.99 30.89 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.363 -0.606 . . . . 1.85 109.363 171.823 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.403 ' HA ' ' HB2' ' A' ' 57' ' ' ASP . . . -59.03 161.79 4.8 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.069 0.396 . . . . 0.87 112.069 -176.443 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -41.4 -60.0 1.41 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.532 -0.758 . . . . 1.48 112.745 179.448 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 48.5 t -64.36 -39.12 93.25 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.412 0.625 . . . . 2.37 109.346 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 112.05 46.66 0.75 Allowed Glycine 0 N--CA 1.452 -0.236 0 CA-C-N 115.302 -0.863 . . . . 1.91 112.259 176.012 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 57.1 mtpt -94.26 147.57 33.58 Favored Pre-proline 0 C--N 1.321 -0.664 0 CA-C-O 120.741 0.305 . . . . 3.17 110.809 -176.494 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.401 ' C ' ' H ' ' A' ' 55' ' ' ARG . 74.2 Cg_endo -74.68 148.09 36.34 Favored 'Trans proline' 0 N--CA 1.458 -0.615 0 C-N-CA 122.45 2.1 . . . . 1.84 111.11 174.804 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 67.92 -1.81 1.62 Allowed 'General case' 0 N--CA 1.475 0.781 0 CA-C-N 116.256 -0.429 . . . . 2.44 111.155 178.156 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.401 ' H ' ' C ' ' A' ' 53' ' ' PRO . 0.1 OUTLIER -124.91 111.13 15.09 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.813 -1.181 . . . . 4.1 107.813 176.737 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.541 ' CE1' ' HB2' ' A' ' 3' ' ' LEU . 96.5 m-85 -118.15 175.99 5.43 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-O 121.418 0.627 . . . . 0.97 112.148 -170.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.494 ' HB3' ' HG3' ' A' ' 46' ' ' ARG . 13.7 t70 -128.55 130.3 47.21 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 114.816 -1.084 . . . . 1.1 108.675 -179.049 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.454 ' HA ' ' O ' ' A' ' 44' ' ' LYS . 10.6 tpt -135.49 124.39 24.09 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 120.826 0.346 . . . . 0.98 110.53 -175.84 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.553 ' HG3' ' O ' ' A' ' 67' ' ' THR . 39.5 tt0 -132.32 145.76 51.5 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 121.029 0.442 . . . . 1.11 111.424 -174.025 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.455 ' HB2' ' OG1' ' A' ' 67' ' ' THR . 47.6 m-80 -124.37 104.64 8.89 Favored 'General case' 0 CA--C 1.517 -0.314 0 CA-C-N 115.7 -0.682 . . . . 1.17 109.772 177.62 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.467 ' O ' ' HA ' ' A' ' 41' ' ' VAL . 87.3 mt -97.37 122.43 40.4 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 116.2 -0.455 . . . . 1.67 110.263 178.881 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.983 HG22 ' HB ' ' A' ' 41' ' ' VAL . 44.1 p -126.03 -163.99 1.27 Allowed 'General case' 0 N--CA 1.442 -0.841 0 N-CA-C 110.033 -0.358 . . . . 0.45 110.033 -177.528 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 72.2 p -95.85 -22.4 17.49 Favored 'General case' 0 C--N 1.314 -0.948 0 CA-C-O 121.18 0.514 . . . . 0.54 110.646 -178.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 73.7 mmtt -116.25 -15.72 11.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.778 -0.646 . . . . 2.24 111.708 -175.411 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.437 ' HB3' ' H ' ' A' ' 66' ' ' ASP . 29.5 mmmt -137.9 -156.08 0.66 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.205 0.526 . . . . 1.82 112.218 -171.35 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.437 ' H ' ' HB3' ' A' ' 65' ' ' LYS . 7.1 t70 167.46 130.29 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 114.351 -1.295 . . . . 2.12 108.47 -170.684 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.555 HG22 ' O ' ' A' ' 81' ' ' GLU . 75.2 p -144.58 140.46 28.78 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 108.967 -0.753 . . . . 0.56 108.967 -178.802 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 7.5 t-160 -136.05 93.8 2.97 Favored 'General case' 0 C--N 1.321 -0.657 0 C-N-CA 120.311 -0.556 . . . . 1.95 110.76 -176.299 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 8.7 m-70 -75.43 86.11 2.57 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 108.455 -0.942 . . . . 0.39 108.455 175.507 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -86.94 122.34 30.65 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 112.426 0.528 . . . . 2.3 112.426 -175.444 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.7 t70 59.94 72.15 0.54 Allowed 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 114.863 -1.062 . . . . 2.07 111.476 172.358 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 68.9 p-90 -119.98 152.85 36.84 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.89 -0.595 . . . . 0.43 110.535 178.119 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -118.72 155.14 31.6 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 116.37 -0.377 . . . . 0.55 110.464 177.05 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.713 HD21 HD23 ' A' ' 94' ' ' LEU . 4.2 mp -58.46 138.09 56.9 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.335 0.588 . . . . 1.71 111.288 173.066 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 77.38 7.56 87.0 Favored Glycine 0 N--CA 1.448 -0.502 0 CA-C-N 115.033 -0.985 . . . . 0.59 112.413 -176.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -100.49 148.93 24.22 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.069 0.462 . . . . 2.37 110.619 -177.33 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.511 ' HA ' ' O ' ' A' ' 90' ' ' ILE . 40.5 tt0 -123.19 114.98 21.01 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.205 -0.907 . . . . 1.4 108.817 -179.608 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 38.2 p90 -129.24 153.99 47.23 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 116.586 -0.279 . . . . 0.57 110.957 -174.558 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 28.4 tt0 -83.96 142.29 30.62 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.43 -0.581 . . . . 1.95 109.43 176.048 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.424 ' HB3' HD12 ' A' ' 90' ' ' ILE . 6.3 t70 -149.02 169.25 21.05 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.753 0.311 . . . . 1.26 110.806 -171.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.555 ' O ' HG22 ' A' ' 67' ' ' THR . 24.3 mt-10 -109.41 85.99 2.2 Favored 'General case' 0 CA--C 1.515 -0.376 0 N-CA-C 108.806 -0.813 . . . . 2.13 108.806 -179.483 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -80.33 174.85 11.19 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 113.763 1.023 . . . . 0.95 113.763 -164.911 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.505 HD22 ' H ' ' A' ' 83' ' ' LEU . 3.0 mm? -55.39 -33.81 63.79 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 121.537 0.684 . . . . 1.34 110.073 179.392 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 5.1 p30 -71.26 0.75 7.23 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 114.726 -1.125 . . . . 1.55 111.786 -177.605 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 37.1 m 66.81 27.25 9.2 Favored 'General case' 0 C--O 1.234 0.276 0 N-CA-C 112.421 0.526 . . . . 1.21 112.421 173.703 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.543 ' OG1' ' HD2' ' A' ' 88' ' ' HIS . 21.0 p -122.46 164.66 17.67 Favored 'General case' 0 C--O 1.24 0.596 0 C-N-CA 120.803 -0.359 . . . . 0.93 110.945 174.707 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 23.2 mm-40 -105.3 88.43 2.85 Favored 'General case' 0 CA--C 1.511 -0.522 0 N-CA-C 108.992 -0.744 . . . . 1.88 108.992 -175.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' HIS . . . . . 0.575 ' HB2' ' O ' ' A' ' 105' ' ' ILE . 21.1 p80 -132.5 175.34 9.38 Favored 'General case' 0 C--N 1.313 -1.013 0 C-N-CA 119.866 -0.734 . . . . 1.04 111.633 -168.259 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 60.3 pttt -84.23 149.7 25.94 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.751 -0.659 . . . . 1.49 110.639 -174.562 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.511 ' O ' ' HA ' ' A' ' 77' ' ' GLU . 47.5 mt -142.54 136.62 27.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.303 -0.862 . . . . 0.54 110.347 -177.375 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 28.8 m -120.37 138.75 53.57 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.462 -0.335 . . . . 0.43 110.704 176.648 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.42 ' CE1' ' HG3' ' A' ' 102' ' ' GLU . 7.3 m-85 -119.83 138.9 53.1 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.93 -0.577 . . . . 0.6 109.534 176.499 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.458 ' O ' HD12 ' A' ' 100' ' ' LEU . 8.2 p-10 -171.58 173.51 4.67 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.735 0.302 . . . . 1.69 110.384 -179.411 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.713 HD23 HD21 ' A' ' 74' ' ' LEU . 1.5 mm? -100.67 119.15 38.16 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.993 0.425 . . . . 1.12 110.093 179.802 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -88.13 -49.89 6.73 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.44 -0.8 . . . . 3.03 109.497 -176.642 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -129.68 166.59 24.86 Favored Pre-proline 0 C--N 1.32 -0.705 0 N-CA-C 108.053 -1.091 . . . . 1.79 108.053 177.056 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_exo -65.68 6.63 0.41 Allowed 'Trans proline' 0 N--CA 1.476 0.462 0 C-N-CA 123.031 2.487 . . . . 0.98 113.151 -176.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -150.98 26.49 0.72 Allowed 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.561 -0.533 . . . . 2.32 109.561 175.848 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 28.0 m -141.63 107.05 5.02 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 116.169 -0.469 . . . . 0.56 111.575 -177.822 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.485 ' HB3' ' HB2' ' A' ' 118' ' ' TYR . 18.2 tp -92.57 130.18 38.29 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.265 -0.643 . . . . 1.1 109.265 173.691 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.518 HG22 ' HG2' ' A' ' 117' ' ' GLU . 0.8 OUTLIER -110.53 137.31 48.39 Favored 'General case' 0 C--N 1.32 -0.68 0 O-C-N 121.542 -0.724 . . . . 0.41 112.587 -174.355 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.42 ' HG3' ' CE1' ' A' ' 92' ' ' PHE . 25.5 tt0 -111.08 103.93 12.42 Favored 'General case' 0 N--CA 1.454 -0.24 0 N-CA-C 108.665 -0.865 . . . . 1.31 108.665 167.584 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 54.6 m -99.15 107.42 19.77 Favored 'General case' 0 C--N 1.316 -0.858 0 N-CA-C 109.153 -0.684 . . . . 0.51 109.153 178.199 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' HIS . . . . . 0.546 ' CE1' ' HB3' ' A' ' 114' ' ' GLU . 21.1 p80 -113.55 120.95 42.74 Favored 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 120.211 -0.596 . . . . 1.69 111.257 -175.643 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.645 HG12 HG23 ' A' ' 113' ' ' VAL . 37.2 mt -113.63 125.72 70.96 Favored 'Isoleucine or valine' 0 C--O 1.238 0.462 0 CA-C-N 115.119 -0.946 . . . . 0.75 110.56 -178.618 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.531 ' HA ' ' CB ' ' A' ' 88' ' ' HIS . 97.5 mttt -62.58 121.94 14.57 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.515 -0.766 . . . . 1.61 111.191 176.013 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.525 HG13 ' HA ' ' A' ' 88' ' ' HIS . 5.3 m -58.39 -26.68 31.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 114.75 -1.114 . . . . 1.32 111.166 176.005 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -84.23 -59.13 2.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.567 -0.742 . . . . 2.5 110.504 178.563 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' ASP . . . . . 0.497 ' O ' ' HB2' ' A' ' 106' ' ' LYS . 20.4 m-20 -120.85 92.92 48.56 Favored Pre-proline 0 C--N 1.327 -0.39 0 CA-C-N 116.133 -0.485 . . . . 2.39 110.906 -179.212 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_endo -69.13 -5.27 15.41 Favored 'Trans proline' 0 N--CA 1.463 -0.314 0 C-N-CA 123.093 2.529 . . . . 0.9 111.657 176.216 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 16.9 p -73.81 -28.38 61.6 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 115.058 -0.974 . . . . 1.47 110.141 176.822 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -104.3 54.49 0.73 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.539 0.685 . . . . 1.59 110.354 -179.405 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.645 HG23 HG12 ' A' ' 105' ' ' ILE . 8.2 p -71.19 159.08 5.9 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.004 0 CA-C-N 115.334 -0.848 . . . . 1.6 110.52 174.887 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.546 ' HB3' ' CE1' ' A' ' 104' ' ' HIS . 29.1 tt0 -154.35 149.72 27.19 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.561 -0.533 . . . . 2.78 109.561 175.458 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 84.8 m -134.56 131.14 37.56 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.236 0.541 . . . . 0.53 111.326 -177.62 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 17.0 m-85 -102.31 149.83 23.94 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 108.268 -1.012 . . . . 0.96 108.268 175.268 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 117' ' ' GLU . . . . . 0.518 ' HG2' HG22 ' A' ' 101' ' ' THR . 33.0 mt-10 -133.28 126.15 30.82 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.21 -1.033 . . . . 1.27 108.21 -176.749 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 118' ' ' TYR . . . . . 0.485 ' HB2' ' HB3' ' A' ' 100' ' ' LEU . 64.5 m-85 -108.1 113.21 26.19 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-O 120.733 0.302 . . . . 0.6 111.318 -173.584 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 119' ' ' ARG . . . . . 0.405 HH11 ' HD2' ' A' ' 119' ' ' ARG . 31.9 mtm180 -116.34 161.95 18.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.864 -0.607 . . . . 3.41 110.183 178.096 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 120' ' ' ARG . . . . . 0.406 ' HG2' ' CD1' ' A' ' 7' ' ' PHE . 11.7 mmm-85 -114.42 134.86 54.68 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.833 0.349 . . . . 1.96 111.16 173.816 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 121' ' ' ASP . . . . . 0.574 ' HB3' HG21 ' A' ' 126' ' ' VAL . 32.2 t70 -151.57 97.5 2.39 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.432 -0.803 . . . . 1.08 109.2 175.343 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 74.09 -144.65 33.76 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.794 -0.717 . . . . 0.92 111.47 -176.659 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -85.81 29.59 0.7 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.983 0.897 . . . . 2.31 109.749 178.467 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 124' ' ' TYR . . . . . 0.471 ' CZ ' ' HE3' ' A' ' 141' ' ' LYS . 20.0 m-85 -122.76 132.18 54.11 Favored 'General case' 0 CA--C 1.51 -0.568 0 CA-C-N 115.363 -0.835 . . . . 0.67 111.295 -177.265 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.516 ' HB3' ' HB2' ' A' ' 140' ' ' TYR . 3.0 tm? -82.36 103.95 12.3 Favored 'General case' 0 N--CA 1.44 -0.947 0 N-CA-C 106.422 -1.695 . . . . 1.03 106.422 164.22 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 0.574 HG21 ' HB3' ' A' ' 121' ' ' ASP . 92.4 t -92.21 96.43 6.25 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 CA-C-O 121.957 0.884 . . . . 0.47 109.19 -173.29 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 127' ' ' MET . . . . . 0.617 ' SD ' ' HE2' ' A' ' 43' ' ' LYS . 20.6 ttt -90.25 142.03 28.12 Favored 'General case' 0 C--N 1.305 -1.358 0 CA-C-N 114.144 -1.389 . . . . 1.08 109.428 -175.612 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 128' ' ' LYS . . . . . 0.453 ' HB3' ' HB2' ' A' ' 117' ' ' GLU . 77.6 tttt -128.45 139.73 52.2 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-O 120.922 0.391 . . . . 2.2 110.14 -175.54 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 129' ' ' MET . . . . . 0.478 ' HB2' ' CG2' ' A' ' 136' ' ' THR . 45.8 mtp -136.8 132.1 34.23 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 108.399 -0.963 . . . . 1.11 108.399 178.46 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 130' ' ' SER . . . . . 0.532 ' HA ' ' O ' ' A' ' 134' ' ' VAL . 10.3 p -138.46 127.18 23.58 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.364 0.602 . . . . 1.06 111.78 -179.415 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 131' ' ' TRP . . . . . 0.524 ' CD1' ' HG2' ' A' ' 132' ' ' LYS . 46.3 t-105 -146.76 134.49 21.14 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.153 -0.93 . . . . 0.76 109.656 177.785 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 132' ' ' LYS . . . . . 0.524 ' HG2' ' CD1' ' A' ' 131' ' ' TRP . 75.0 mmtt 54.72 41.16 32.12 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 123.717 0.636 . . . . 1.96 111.186 -175.889 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 75.84 -6.99 30.1 Favored Glycine 0 CA--C 1.519 0.291 0 CA-C-N 115.823 -0.626 . . . . 0.53 112.975 179.72 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 134' ' ' VAL . . . . . 0.532 ' O ' ' HA ' ' A' ' 130' ' ' SER . 33.4 t -85.53 105.65 14.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.861 0.331 . . . . 0.43 110.421 -179.246 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -98.51 124.3 43.17 Favored 'General case' 0 N--CA 1.443 -0.798 0 CA-C-O 121.363 0.601 . . . . 1.14 110.794 177.163 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 136' ' ' THR . . . . . 0.478 ' CG2' ' HB2' ' A' ' 129' ' ' MET . 4.6 t -115.95 137.09 52.43 Favored 'General case' 0 C--N 1.309 -1.165 0 CA-C-N 115.097 -0.956 . . . . 0.4 109.905 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 4.1 p -101.18 120.34 40.09 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.658 0.742 . . . . 0.79 110.058 177.234 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 138' ' ' ARG . . . . . 0.556 ' HB3' ' HB3' ' A' ' 127' ' ' MET . 12.8 tpt180 -104.78 96.2 6.4 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-N 114.972 -1.013 . . . . 1.84 108.675 -177.659 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 77.6 m-85 -84.95 108.12 17.41 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.394 0.616 . . . . 0.64 111.843 -172.439 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 140' ' ' TYR . . . . . 0.516 ' HB2' ' HB3' ' A' ' 125' ' ' LEU . 52.2 m-85 -96.8 128.43 43.75 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.184 -0.916 . . . . 0.6 110.451 178.201 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 141' ' ' LYS . . . . . 0.471 ' HE3' ' CZ ' ' A' ' 124' ' ' TYR . 3.1 tppp? -103.1 127.16 50.47 Favored 'General case' 0 C--O 1.208 -1.125 0 N-CA-C 107.222 -1.399 . . . . 1.92 107.222 177.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 142' ' ' LYS . . . . . 0.638 ' HA ' ' HA ' ' A' ' 11' ' ' PHE . 80.8 tttt -47.63 167.48 0.02 OUTLIER 'General case' 0 CA--C 1.548 0.877 0 N-CA-C 113.568 0.951 . . . . 2.13 113.568 -171.172 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 21.5 mm-40 . . . . . 0 C--O 1.248 0.987 0 O-C-N 121.346 -0.846 . . . . 1.46 109.988 166.14 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 7.1 m . . . . . 0 N--CA 1.449 -0.478 0 CA-C-O 120.83 0.347 . . . . 0.99 110.583 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.536 ' HB2' ' CE1' ' A' ' 56' ' ' TYR . 0.6 OUTLIER -66.33 120.4 69.89 Favored Pre-proline 0 C--N 1.324 -0.521 0 CA-C-N 115.579 -0.737 . . . . 0.59 110.961 -176.048 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_exo -56.22 121.2 9.58 Favored 'Trans proline' 0 N--CA 1.458 -0.613 0 C-N-CA 122.538 2.159 . . . . 0.61 110.654 172.482 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ASP . . . . . 0.522 ' HA ' HD12 ' A' ' 8' ' ' LEU . 26.8 t70 -53.11 -23.01 7.0 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 115.949 -0.569 . . . . 2.19 111.453 -179.118 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.479 ' O ' ' HD3' ' A' ' 120' ' ' ARG . 0.1 OUTLIER -55.88 -24.71 38.83 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.796 -0.638 . . . . 2.53 111.872 177.74 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 28.0 m-85 -95.15 -4.36 46.22 Favored 'General case' 0 CA--C 1.519 -0.237 0 O-C-N 121.933 -0.479 . . . . 0.6 110.969 179.75 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.523 HD21 HD13 ' A' ' 3' ' ' LEU . 87.7 mt -95.83 155.76 16.62 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.987 0.423 . . . . 0.46 111.286 -170.856 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 125.28 177.58 14.96 Favored Glycine 0 N--CA 1.442 -0.912 0 CA-C-N 115.572 -0.74 . . . . 0.52 112.313 179.224 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.523 HG23 ' HG2' ' A' ' 44' ' ' LYS . 1.7 m -101.31 125.87 48.0 Favored 'General case' 0 N--CA 1.447 -0.606 0 N-CA-C 109.14 -0.689 . . . . 1.05 109.14 175.652 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 73.1 m-85 -118.53 126.96 53.12 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 113.017 0.747 . . . . 0.47 113.017 -174.015 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.547 ' HG3' ' HA ' ' A' ' 143' ' ' GLN . 48.7 mtmt -70.02 -176.74 1.18 Allowed 'General case' 0 C--N 1.352 0.702 0 CA-C-O 121.117 0.484 . . . . 2.19 110.463 167.933 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.2 tt -127.44 114.6 17.71 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.126 -1.064 . . . . 1.14 108.126 -178.046 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -91.3 -49.04 6.57 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.809 -0.356 . . . . 2.08 111.036 -176.73 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 11.0 ptm180 -166.32 -167.76 1.09 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.981 0.42 . . . . 3.36 111.109 -176.035 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -144.99 -174.65 4.42 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.977 -0.556 . . . . 1.19 110.281 -178.648 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -154.71 108.07 2.86 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.972 -0.558 . . . . 2.66 110.037 177.601 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 69.09 29.46 4.72 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-O 122.001 0.905 . . . . 0.76 110.577 175.154 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.434 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 36.5 t80 -71.52 -43.16 66.96 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.249 -0.887 . . . . 0.49 111.502 -173.199 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -59.24 -44.72 92.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.668 0.271 . . . . 2.04 111.197 179.784 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -62.6 -36.01 81.36 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.48 -0.327 . . . . 1.79 111.303 179.499 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 58.8 t80 -61.2 -37.79 84.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.969 0.414 . . . . 0.57 110.535 173.763 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.434 ' HG ' ' O ' ' A' ' 19' ' ' PHE . 85.1 mt -65.52 -38.76 90.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.37 110.257 -178.653 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 26.0 mtpp -62.32 -47.61 83.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.868 -0.605 . . . . 1.88 109.98 177.418 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.47 -44.75 85.1 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.36 -0.836 . . . . 0.44 111.208 179.298 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.516 ' NH2' ' HB2' ' A' ' 114' ' ' GLU . 18.0 mmm180 -67.7 -9.91 47.8 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 116.167 -0.469 . . . . 1.29 112.046 -177.671 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 101.88 5.7 50.26 Favored Glycine 0 N--CA 1.444 -0.786 0 C-N-CA 120.574 -0.822 . . . . 0.62 112.776 176.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 72.7 m-85 -80.13 121.51 25.65 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.802 0.334 . . . . 0.64 110.143 179.555 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.44 ' O ' ' HG3' ' A' ' 33' ' ' ARG . . . -79.08 -170.69 39.34 Favored Glycine 0 N--CA 1.445 -0.739 0 C-N-CA 120.95 -0.643 . . . . 1.54 111.927 178.784 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.524 ' O ' ' HG2' ' A' ' 34' ' ' GLN . 45.9 t90 -50.61 -45.48 57.57 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 122.6 0.36 . . . . 1.18 111.817 -177.897 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.769 ' H ' HD12 ' A' ' 31' ' ' ILE . 3.7 mp -54.08 -59.31 2.14 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.8 0 CA-C-O 121.455 0.645 . . . . 2.16 110.251 -175.417 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.483 ' O ' HG13 ' A' ' 36' ' ' ILE . 74.1 mmm -65.56 -36.07 82.72 Favored 'General case' 0 N--CA 1.428 -1.549 0 CA-C-N 114.818 -1.083 . . . . 0.97 111.077 -175.057 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.44 ' HG3' ' O ' ' A' ' 29' ' ' GLY . 52.7 mtm180 -61.37 -26.0 67.54 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.593 -0.276 . . . . 1.87 111.223 179.124 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.524 ' HG2' ' O ' ' A' ' 30' ' ' TRP . 30.1 mm-40 -73.45 -48.38 34.1 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.787 -0.449 . . . . 1.97 109.787 175.264 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 88.3 t -68.21 -59.65 3.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.763 -0.653 . . . . 0.68 111.536 -174.001 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.483 HG13 ' O ' ' A' ' 32' ' ' MET . 44.8 mt -48.09 -36.55 6.13 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.434 0 N-CA-C 113.379 0.881 . . . . 0.51 113.379 -178.921 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 47.0 mtmt -77.57 -20.34 54.21 Favored 'General case' 0 C--N 1.33 -0.277 0 O-C-N 122.062 -0.399 . . . . 0.97 111.903 -178.404 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.487 ' HG ' ' O ' ' A' ' 34' ' ' GLN . 42.4 mt -88.8 -7.67 55.77 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.991 0.425 . . . . 2.08 110.839 -179.689 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -79.39 97.86 6.52 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.013 -0.539 . . . . 1.03 111.131 -177.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -78.94 56.9 4.32 Favored Glycine 0 N--CA 1.452 -0.239 0 CA-C-N 115.907 -0.588 . . . . 0.84 112.218 178.656 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.564 ' HB ' HG22 ' A' ' 62' ' ' THR . 2.5 p -55.41 147.55 3.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 N-CA-C 113.946 1.091 . . . . 1.3 113.946 -177.264 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 86.2 m -112.11 125.67 54.35 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 114.368 -1.287 . . . . 0.45 109.581 176.728 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.609 ' HE3' ' SD ' ' A' ' 127' ' ' MET . 73.3 mmtt -87.09 136.33 32.96 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.989 -0.374 . . . . 0.79 109.989 178.547 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.523 ' HG2' HG23 ' A' ' 10' ' ' THR . 6.8 mtpm? -132.31 116.16 16.55 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.591 -0.277 . . . . 1.96 110.593 -179.795 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.509 ' HB3' HD23 ' A' ' 8' ' ' LEU . 64.6 m-85 -120.3 143.45 48.34 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 109.156 -0.683 . . . . 0.54 109.156 174.359 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.446 ' HG3' ' HB3' ' A' ' 57' ' ' ASP . 10.5 ptm180 -170.58 171.68 6.25 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.787 0.327 . . . . 3.17 111.007 -179.444 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ASN . . . . . 0.519 ' HA ' ' CD2' ' A' ' 56' ' ' TYR . 8.3 p30 -70.19 152.06 44.68 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.647 -0.871 . . . . 1.85 108.647 170.111 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.538 ' HA ' ' HB2' ' A' ' 57' ' ' ASP . . . -49.92 131.03 22.55 Favored 'General case' 0 CA--C 1.516 -0.363 0 CA-C-O 121.606 0.717 . . . . 0.87 111.841 -173.313 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.37 -39.2 89.79 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 113.836 -1.529 . . . . 1.48 112.425 -168.739 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 12.2 p -74.15 12.62 0.69 Allowed 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 112.234 0.457 . . . . 2.37 112.234 -179.337 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 71.3 20.34 78.1 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.66 -0.781 . . . . 1.91 111.77 -176.777 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.425 ' HB3' ' CB ' ' A' ' 48' ' ' ALA . 5.4 tppp? -72.62 118.43 67.84 Favored Pre-proline 0 N--CA 1.444 -0.738 0 N-CA-C 109.62 -0.511 . . . . 3.17 109.62 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.452 ' O ' ' HB3' ' A' ' 54' ' ' ASP . 61.3 Cg_endo -72.19 145.87 44.85 Favored 'Trans proline' 0 C--O 1.237 0.474 0 C-N-CA 122.391 2.06 . . . . 1.84 112.445 -177.518 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.452 ' HB3' ' O ' ' A' ' 53' ' ' PRO . 33.1 t70 82.34 -53.54 0.22 Allowed 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 124.286 1.035 . . . . 2.44 109.968 176.868 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.517 ' HD3' ' OD2' ' A' ' 71' ' ' ASP . 82.8 mtt-85 -67.06 149.66 50.28 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.377 -0.828 . . . . 4.1 112.54 175.014 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.536 ' CE1' ' HB2' ' A' ' 3' ' ' LEU . 66.7 m-85 -122.21 179.02 4.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.468 -0.787 . . . . 0.97 111.132 -179.176 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.547 ' OD2' ' HA ' ' A' ' 70' ' ' LYS . 18.7 t70 -135.58 139.55 43.96 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.693 -0.685 . . . . 1.1 109.489 -177.245 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.469 ' N ' ' HE1' ' A' ' 72' ' ' TRP . 1.4 tmt? -142.3 139.61 31.92 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.47 -0.567 . . . . 0.98 109.47 -178.271 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.528 ' HG3' ' O ' ' A' ' 67' ' ' THR . 38.3 tt0 -142.31 147.94 37.19 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.263 0.554 . . . . 1.11 111.854 -175.443 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.475 ' HB2' ' OG1' ' A' ' 67' ' ' THR . 41.4 m-80 -125.71 100.9 6.63 Favored 'General case' 0 CA--C 1.515 -0.402 0 CA-C-N 115.276 -0.875 . . . . 1.17 109.247 178.867 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.49 ' O ' ' HA ' ' A' ' 41' ' ' VAL . 63.8 mt -93.49 118.54 31.46 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 116.207 -0.451 . . . . 1.67 109.943 178.845 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.564 HG22 ' HB ' ' A' ' 41' ' ' VAL . 4.3 p -121.88 -164.84 1.19 Allowed 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.719 -0.474 . . . . 0.45 109.719 -175.875 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 74.0 p -100.03 -17.72 17.36 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-O 121.346 0.594 . . . . 0.54 110.602 -178.417 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.0 mmmp? -107.05 -39.95 5.59 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.878 -0.601 . . . . 2.24 111.842 -175.682 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.512 ' HD3' ' N ' ' A' ' 66' ' ' ASP . 8.4 tmtm? -158.27 135.03 9.7 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.23 -0.656 . . . . 1.82 109.23 -174.268 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.512 ' N ' ' HD3' ' A' ' 65' ' ' LYS . 22.1 m-20 -108.25 128.13 54.46 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 120.971 0.415 . . . . 2.12 110.284 -177.264 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.687 HG23 HD13 ' A' ' 83' ' ' LEU . 66.3 p -110.65 144.57 39.37 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.958 -0.564 . . . . 0.56 109.746 -179.204 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.419 ' HE2' ' CG ' ' A' ' 57' ' ' ASP . 8.0 t-160 -137.85 97.59 3.46 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.164 0.507 . . . . 1.95 109.956 -178.537 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 7.4 m-70 -75.5 84.2 2.58 Favored 'General case' 0 C--N 1.318 -0.787 0 N-CA-C 108.449 -0.945 . . . . 0.39 108.449 176.215 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.547 ' HA ' ' OD2' ' A' ' 57' ' ' ASP . 10.8 ptpt -89.81 127.08 35.91 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.872 -0.604 . . . . 2.3 111.95 -174.614 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.517 ' OD2' ' HD3' ' A' ' 55' ' ' ARG . 13.3 t70 63.84 72.96 0.45 Allowed 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 115.139 -0.937 . . . . 2.07 110.843 173.611 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' TRP . . . . . 0.469 ' HE1' ' N ' ' A' ' 58' ' ' MET . 69.8 p-90 -126.88 161.42 28.3 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.275 -0.421 . . . . 0.43 111.435 179.201 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.531 ' O ' ' HB3' ' A' ' 76' ' ' GLU . . . -126.36 148.51 49.57 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.834 -0.621 . . . . 0.55 109.738 172.721 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.627 HD13 ' H ' ' A' ' 74' ' ' LEU . 0.0 OUTLIER -65.88 144.99 56.46 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 119.398 -0.921 . . . . 1.71 109.518 170.861 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 85.55 -2.63 87.91 Favored Glycine 0 N--CA 1.441 -0.995 0 CA-C-N 115.127 -0.942 . . . . 0.59 111.784 -169.759 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.531 ' HB3' ' O ' ' A' ' 73' ' ' ALA . 43.5 tt0 -105.97 153.16 22.39 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-O 121.206 0.527 . . . . 2.37 111.466 -176.379 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -128.03 119.15 24.84 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.27 -0.877 . . . . 1.4 108.799 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 40.0 p90 -134.19 157.42 46.29 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.728 -0.215 . . . . 0.57 110.655 -173.593 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.421 ' HA ' ' HA ' ' A' ' 89' ' ' LYS . 1.5 mp0 -85.26 152.69 23.13 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.864 -0.335 . . . . 1.95 110.172 176.546 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -153.48 155.16 35.74 Favored 'General case' 0 C--O 1.245 0.836 0 CA-C-N 116.066 -0.516 . . . . 1.26 110.549 -174.584 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.581 ' O ' HG22 ' A' ' 67' ' ' THR . 13.5 pt-20 -91.11 85.13 5.81 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-O 121.921 0.867 . . . . 2.13 108.828 177.801 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.49 ' CB ' ' CE1' ' A' ' 88' ' ' HIS . . . -73.54 171.99 12.17 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 114.935 -1.03 . . . . 0.95 113.13 -168.251 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.711 HD22 ' H ' ' A' ' 83' ' ' LEU . 2.0 mm? -54.92 -30.88 59.53 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.012 -0.54 . . . . 1.34 110.581 -177.824 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -85.64 13.4 7.1 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.795 -0.639 . . . . 1.55 111.128 -174.688 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 22.8 t 63.41 47.15 4.03 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 115.411 -0.813 . . . . 1.21 111.212 172.185 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.451 ' O ' ' HA ' ' A' ' 81' ' ' GLU . 20.9 p -132.37 168.58 17.87 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.825 -0.625 . . . . 0.93 110.024 175.657 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 13.9 mm100 -105.75 56.68 0.67 Allowed 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.177 -0.675 . . . . 1.88 109.177 178.561 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' HIS . . . . . 0.528 ' CB ' ' HA ' ' A' ' 106' ' ' LYS . 4.6 p-80 -93.8 162.78 13.78 Favored 'General case' 0 C--N 1.32 -0.713 0 C-N-CA 119.622 -0.831 . . . . 1.04 111.801 -169.605 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.421 ' HA ' ' HA ' ' A' ' 79' ' ' GLN . 54.6 pttt -84.05 150.72 25.4 Favored 'General case' 0 N--CA 1.44 -0.952 0 CA-C-N 115.567 -0.742 . . . . 1.49 110.409 -172.183 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 59.2 mt -142.77 134.17 24.39 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.074 0 CA-C-N 114.951 -1.022 . . . . 0.54 110.014 -176.309 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 13.1 m -113.81 131.99 56.03 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 116.179 -0.464 . . . . 0.43 110.524 178.585 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -107.77 135.65 48.83 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 108.286 -1.005 . . . . 0.6 108.286 173.075 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -158.34 147.36 19.15 Favored 'General case' 0 C--N 1.314 -0.953 0 N-CA-C 109.599 -0.519 . . . . 1.69 109.599 -176.761 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.431 ' CD1' ' HG ' ' A' ' 100' ' ' LEU . 1.5 mp -95.24 121.68 37.15 Favored 'General case' 0 C--N 1.317 -0.815 0 C-N-CA 120.306 -0.557 . . . . 1.12 110.83 178.352 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.572 ' HG3' ' OD1' ' A' ' 96' ' ' ASP . 19.1 tptp -85.29 -47.84 9.66 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-N 115.172 -0.922 . . . . 3.03 108.865 -177.16 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.572 ' OD1' ' HG3' ' A' ' 95' ' ' LYS . 6.1 m-20 -140.74 166.12 25.05 Favored Pre-proline 0 C--N 1.321 -0.66 0 N-CA-C 107.839 -1.171 . . . . 1.79 107.839 175.026 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 15.1 Cg_exo -70.73 6.8 1.48 Allowed 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.822 2.348 . . . . 0.98 112.121 -178.542 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 -137.78 15.61 2.89 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.545 -0.752 . . . . 2.32 109.289 176.601 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 33.0 m -151.6 109.4 3.67 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-O 121.447 0.641 . . . . 0.56 111.964 179.096 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.431 ' HG ' ' CD1' ' A' ' 94' ' ' LEU . 0.6 OUTLIER -84.4 153.58 23.33 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.117 -1.068 . . . . 1.1 108.117 172.991 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 9.1 p -128.29 131.68 48.69 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 119.096 0.862 . . . . 0.41 111.099 173.731 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 68.6 tt0 -116.33 110.54 18.85 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.911 -0.586 . . . . 1.31 109.589 178.193 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 56.1 m -102.13 118.14 36.26 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.817 0.341 . . . . 0.51 111.017 -177.274 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' HIS . . . . . 0.459 ' HB2' ' HB3' ' A' ' 114' ' ' GLU . 17.2 m170 -98.88 122.89 42.71 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.951 -0.389 . . . . 1.69 109.951 176.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.429 HG23 ' HA ' ' A' ' 110' ' ' PRO . 56.5 mt -124.73 117.35 50.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-O 121.44 0.638 . . . . 0.75 111.051 172.836 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.547 ' HD2' ' HB2' ' A' ' 112' ' ' ASP . 54.0 mttm -60.19 118.41 6.33 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 114.756 -1.111 . . . . 1.61 111.048 176.633 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.523 HG22 ' HA ' ' A' ' 88' ' ' HIS . 11.9 m -65.7 -19.75 26.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.942 -0.572 . . . . 1.32 110.878 177.52 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -79.19 -42.94 24.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.707 -0.679 . . . . 2.5 110.356 176.347 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -144.12 94.58 5.78 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.082 -0.508 . . . . 2.39 109.968 179.462 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' PRO . . . . . 0.429 ' HA ' HG23 ' A' ' 105' ' ' ILE . 56.3 Cg_endo -71.13 0.76 6.17 Favored 'Trans proline' 0 N--CA 1.462 -0.365 0 C-N-CA 123.033 2.488 . . . . 0.9 112.869 -177.661 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 29.0 p -72.44 -25.87 61.62 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.558 0.694 . . . . 1.47 109.852 173.893 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' ASP . . . . . 0.547 ' HB2' ' HD2' ' A' ' 106' ' ' LYS . 4.9 m-20 -94.48 56.28 2.09 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.056 -0.974 . . . . 1.59 111.102 -177.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.427 HG23 HG12 ' A' ' 105' ' ' ILE . 15.0 p -65.41 159.6 4.0 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.961 0 CA-C-N 115.97 -0.559 . . . . 1.6 109.786 174.403 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.516 ' HB2' ' NH2' ' A' ' 26' ' ' ARG . 41.1 tt0 -155.24 137.55 14.87 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.511 -0.551 . . . . 2.78 109.511 -176.51 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 39.1 m -130.53 121.67 26.17 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.308 0.575 . . . . 0.53 112.121 -176.765 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 116' ' ' TYR . . . . . 0.437 ' CE2' ' HE1' ' A' ' 104' ' ' HIS . 4.5 m-30 -102.01 155.0 18.45 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 106.715 -1.587 . . . . 0.96 106.715 168.333 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 117' ' ' GLU . . . . . 0.511 ' O ' ' HA ' ' A' ' 127' ' ' MET . 12.6 pt-20 -139.74 122.88 16.86 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 119.319 0.963 . . . . 1.27 109.046 175.287 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 118' ' ' TYR . . . . . 0.437 ' HD1' HD11 ' A' ' 125' ' ' LEU . 97.5 m-85 -98.03 111.54 23.82 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.282 0.563 . . . . 0.6 111.348 -173.103 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 18.0 ttm180 -114.17 144.7 42.75 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 115.032 -0.986 . . . . 3.41 109.767 178.715 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 120' ' ' ARG . . . . . 0.479 ' HD3' ' O ' ' A' ' 6' ' ' LYS . 8.6 tpt180 -102.06 101.39 11.74 Favored 'General case' 0 C--N 1.32 -0.697 0 C-N-CA 120.433 -0.507 . . . . 1.96 110.114 179.677 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -97.78 82.2 3.0 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.389 0.614 . . . . 1.08 109.625 179.23 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 71.2 -112.77 4.35 Favored Glycine 0 N--CA 1.444 -0.771 0 CA-C-N 115.121 -0.945 . . . . 0.92 112.399 179.749 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -91.47 -10.16 41.89 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.114 0.483 . . . . 2.31 110.689 -176.517 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 61.5 m-85 -107.93 135.45 49.29 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.116 0.484 . . . . 0.67 111.537 -175.311 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.437 HD11 ' HD1' ' A' ' 118' ' ' TYR . 3.1 tm? -82.64 113.5 20.38 Favored 'General case' 0 N--CA 1.443 -0.778 0 N-CA-C 107.033 -1.469 . . . . 1.03 107.033 170.45 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 88.9 t -117.66 129.08 74.65 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.009 0 N-CA-C 109.267 -0.642 . . . . 0.47 109.267 -170.648 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 127' ' ' MET . . . . . 0.609 ' SD ' ' HE3' ' A' ' 43' ' ' LYS . 26.2 ptm -128.89 150.32 50.4 Favored 'General case' 0 C--N 1.305 -1.335 0 C-N-CA 120.306 -0.558 . . . . 1.08 110.577 -175.541 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 128' ' ' LYS . . . . . 0.458 ' HA ' ' O ' ' A' ' 136' ' ' THR . 40.1 ttmt -122.78 133.95 54.44 Favored 'General case' 0 C--N 1.31 -1.135 0 CA-C-N 115.444 -0.798 . . . . 2.2 109.229 -179.107 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 25.8 mtp -126.16 121.45 32.86 Favored 'General case' 0 C--N 1.313 -0.984 0 N-CA-C 107.648 -1.241 . . . . 1.11 107.648 178.43 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 2.6 m -128.9 137.53 51.48 Favored 'General case' 0 C--N 1.321 -0.634 0 C-N-CA 120.051 -0.66 . . . . 1.06 111.813 -173.45 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 131' ' ' TRP . . . . . . . . . . . . . 44.0 t-105 -149.52 133.37 16.97 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.197 -0.911 . . . . 0.76 109.8 175.469 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 67.9 mttm 55.87 33.11 20.96 Favored 'General case' 0 C--N 1.327 -0.382 0 O-C-N 123.532 0.52 . . . . 1.96 111.143 -176.314 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 82.63 -28.21 3.57 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.967 -0.635 . . . . 0.53 112.446 -176.636 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 20.4 t -69.44 106.75 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 121.07 0.462 . . . . 0.43 109.838 -179.487 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 1.6 m -105.91 153.04 22.53 Favored 'General case' 0 N--CA 1.436 -1.148 0 CA-C-N 115.785 -0.643 . . . . 1.14 110.98 -176.206 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 136' ' ' THR . . . . . 0.458 ' O ' ' HA ' ' A' ' 128' ' ' LYS . 9.2 t -135.48 138.18 42.88 Favored 'General case' 0 C--N 1.313 -0.981 0 CA-C-N 115.456 -0.793 . . . . 0.4 110.058 174.652 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 137' ' ' SER . . . . . 0.505 ' HA ' ' O ' ' A' ' 127' ' ' MET . 14.8 m -109.95 106.89 16.6 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 121.36 0.6 . . . . 0.79 109.874 174.524 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 138' ' ' ARG . . . . . 0.425 ' HG2' ' CE2' ' A' ' 140' ' ' TYR . 6.7 tpt180 -83.3 124.91 31.07 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.356 -0.838 . . . . 1.84 108.861 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 88.4 m-85 -98.28 110.47 23.05 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-O 120.859 0.361 . . . . 0.64 111.656 -174.146 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 140' ' ' TYR . . . . . 0.575 ' HE2' ' SD ' ' A' ' 127' ' ' MET . 97.6 m-85 -111.34 143.94 41.32 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.017 -0.538 . . . . 0.6 110.499 174.802 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 141' ' ' LYS . . . . . 0.492 ' HG3' ' O ' ' A' ' 142' ' ' LYS . 17.0 ptpt -118.21 167.78 11.19 Favored 'General case' 0 C--O 1.208 -1.101 0 N-CA-C 107.261 -1.385 . . . . 1.92 107.261 172.779 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 142' ' ' LYS . . . . . 0.492 ' O ' ' HG3' ' A' ' 141' ' ' LYS . 88.2 tttt -56.82 161.64 2.78 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 119.409 1.004 . . . . 2.13 110.443 172.863 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 143' ' ' GLN . . . . . 0.547 ' HA ' ' HG3' ' A' ' 12' ' ' LYS . 5.6 mt-30 . . . . . 0 C--O 1.249 1.057 0 O-C-N 121.201 -0.937 . . . . 1.46 109.931 165.34 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.445 -0.69 0 CA-C-O 120.75 0.31 . . . . 0.99 111.296 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.449 HD23 ' HA ' ' A' ' 3' ' ' LEU . 1.6 mt -60.87 125.28 82.91 Favored Pre-proline 0 C--N 1.326 -0.435 0 CA-C-N 115.881 -0.599 . . . . 0.59 111.577 178.472 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_exo -57.33 132.62 52.02 Favored 'Trans proline' 0 N--CA 1.462 -0.329 0 C-N-CA 122.523 2.149 . . . . 0.61 110.815 171.545 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' ASP . . . . . 0.451 ' HA ' HD12 ' A' ' 8' ' ' LEU . 4.6 p-10 -61.64 -18.01 57.71 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.404 -0.362 . . . . 2.19 111.775 -174.64 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 31.6 mmtp -62.93 -26.13 68.66 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 111.594 0.22 . . . . 2.53 111.594 175.761 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 48.1 m-85 -92.44 -5.8 51.21 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.733 -0.387 . . . . 0.6 109.987 178.505 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.539 HD23 ' HB3' ' A' ' 45' ' ' PHE . 97.8 mt -98.72 155.95 17.08 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-O 121.269 0.557 . . . . 0.46 111.148 -174.827 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 119.05 172.37 15.26 Favored Glycine 0 N--CA 1.441 -0.97 0 CA-C-N 115.255 -0.884 . . . . 0.52 111.681 -179.194 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 6.9 m -98.56 124.01 43.06 Favored 'General case' 0 C--N 1.317 -0.848 0 N-CA-C 109.636 -0.505 . . . . 1.05 109.636 176.568 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 75.7 m-85 -114.06 132.9 55.86 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.252 -0.431 . . . . 0.47 111.552 -175.159 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.615 ' HG2' ' O ' ' A' ' 142' ' ' LYS . 19.9 ptpt -91.78 -161.81 0.86 Allowed 'General case' 0 CA--C 1.535 0.379 0 N-CA-C 109.69 -0.485 . . . . 2.19 109.69 169.14 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.1 tt -131.63 124.97 31.02 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 108.726 -0.842 . . . . 1.14 108.726 -172.492 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.437 ' HB2' ' HE3' ' A' ' 141' ' ' LYS . 42.9 tt0 -99.02 -51.59 3.81 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 121.07 -0.252 . . . . 2.08 111.14 -179.715 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 13.0 ptm180 -148.12 -176.59 5.34 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.928 0.394 . . . . 3.36 111.051 -177.647 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.438 ' OD2' ' HB2' ' A' ' 19' ' ' PHE . 18.1 t70 -145.14 166.11 26.35 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.866 -0.606 . . . . 1.19 109.502 -172.366 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -159.34 116.0 2.63 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 117.811 0.278 . . . . 2.66 111.544 -179.426 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.9 t30 68.69 24.4 6.77 Favored 'General case' 0 N--CA 1.476 0.834 0 CA-C-O 121.434 0.635 . . . . 0.76 112.053 170.559 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.459 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 11.9 t80 -75.76 -37.87 58.9 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.717 -0.674 . . . . 0.49 111.1 -174.342 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -58.04 -49.03 78.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.612 0.244 . . . . 2.04 110.577 179.287 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -61.67 -37.54 84.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.391 -0.368 . . . . 1.79 111.056 179.174 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 87.3 t80 -59.26 -39.15 81.97 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 120.723 -0.391 . . . . 0.57 110.416 174.108 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.459 ' HG ' ' O ' ' A' ' 19' ' ' PHE . 90.1 mt -69.39 -37.81 77.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.37 -0.377 . . . . 0.37 110.437 -178.59 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 8.2 mtpm? -63.36 -48.69 76.88 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.987 -0.551 . . . . 1.88 109.736 177.709 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.447 ' HB1' ' HB2' ' A' ' 132' ' ' LYS . . . -59.55 -39.48 84.13 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.189 -0.914 . . . . 0.44 111.116 176.87 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.545 ' HA ' ' CD1' ' A' ' 131' ' ' TRP . 15.4 mmm180 -67.01 -14.84 63.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.857 -0.611 . . . . 1.29 111.959 -179.485 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 95.65 20.3 27.13 Favored Glycine 0 N--CA 1.445 -0.711 0 C-N-CA 120.448 -0.882 . . . . 0.62 112.533 179.542 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 66.5 m-85 -90.15 125.81 35.58 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.881 0.372 . . . . 0.64 110.022 177.183 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -76.53 -172.81 35.83 Favored Glycine 0 N--CA 1.445 -0.751 0 C-N-CA 120.954 -0.641 . . . . 1.54 111.775 178.658 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.46 ' O ' ' HG2' ' A' ' 34' ' ' GLN . 64.8 t90 -53.97 -45.5 71.38 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 111.962 0.356 . . . . 1.18 111.962 -176.314 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.765 ' H ' HD12 ' A' ' 31' ' ' ILE . 3.7 mp -58.53 -56.05 18.86 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.74 0 CA-C-O 121.609 0.718 . . . . 2.16 109.941 -174.856 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -66.71 -31.29 71.85 Favored 'General case' 0 N--CA 1.43 -1.437 0 CA-C-N 114.85 -1.068 . . . . 0.97 111.032 -176.171 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.414 ' HA ' HD13 ' A' ' 23' ' ' LEU . 35.9 ttp180 -69.74 -22.2 63.39 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.058 -0.519 . . . . 1.87 110.187 178.42 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.626 ' O ' HD23 ' A' ' 38' ' ' LEU . 26.1 mm-40 -83.69 -27.77 28.79 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.768 -0.651 . . . . 1.97 110.826 175.745 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.474 HG13 ' HG3' ' A' ' 64' ' ' LYS . 57.4 t -85.39 -67.93 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-O 121.16 0.505 . . . . 0.68 110.866 -178.549 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.489 ' H ' HG13 ' A' ' 36' ' ' ILE . 28.7 mt -50.48 -38.84 16.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 114.885 -1.052 . . . . 0.51 113.089 -175.899 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 25.8 ttpp -77.45 -20.9 53.78 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-O 120.851 0.357 . . . . 0.97 111.645 -174.592 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.626 HD23 ' O ' ' A' ' 34' ' ' GLN . 3.9 mm? -104.73 -1.57 26.05 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.139 0.495 . . . . 2.08 110.409 -177.275 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -76.55 120.14 21.34 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.541 -0.754 . . . . 1.03 110.721 179.613 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.615 ' O ' ' HA ' ' A' ' 62' ' ' THR . . . -70.1 136.06 26.61 Favored Glycine 0 N--CA 1.443 -0.891 0 N-CA-C 110.462 -1.055 . . . . 0.84 110.462 174.09 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 78.4 t -122.99 126.0 73.07 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 CA-C-O 121.207 0.527 . . . . 1.3 110.858 -174.072 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 77.7 m -107.16 108.36 19.77 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.454 -0.794 . . . . 0.45 109.872 176.063 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 13.8 tptt -87.82 118.48 27.37 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.117 -0.697 . . . . 0.79 109.117 -179.169 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.523 ' O ' ' HA ' ' A' ' 58' ' ' MET . 3.3 ttpm? -121.83 121.8 38.02 Favored 'General case' 0 C--N 1.322 -0.591 0 C-N-CA 120.126 -0.63 . . . . 1.96 111.368 -177.799 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.539 ' HB3' HD23 ' A' ' 8' ' ' LEU . 60.6 m-85 -121.97 147.24 46.3 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.609 -0.723 . . . . 0.54 109.216 174.214 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 15.9 ptp180 179.65 -178.01 0.37 Allowed 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 110.317 -0.253 . . . . 3.17 110.317 175.855 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 32.9 m-80 -63.41 154.92 30.54 Favored 'General case' 0 C--N 1.319 -0.728 0 O-C-N 123.679 0.612 . . . . 1.85 109.569 173.441 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.403 ' HA ' ' HB2' ' A' ' 57' ' ' ASP . . . -51.49 142.22 14.3 Favored 'General case' 0 CA--C 1.52 -0.174 0 CA-C-O 120.797 0.332 . . . . 0.87 111.167 -177.485 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -47.81 -58.98 3.67 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 113.726 1.01 . . . . 1.48 113.726 -170.439 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 11.1 t -65.38 -38.27 89.51 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 108.977 -0.749 . . . . 2.37 108.977 -178.041 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 123.88 23.98 1.95 Allowed Glycine 0 N--CA 1.448 -0.54 0 CA-C-N 114.963 -1.017 . . . . 1.91 112.684 173.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 63.8 mttm -71.93 129.21 88.35 Favored Pre-proline 0 C--N 1.326 -0.426 0 N-CA-C 109.847 -0.427 . . . . 3.17 109.847 178.511 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.582 ' O ' ' HB3' ' A' ' 54' ' ' ASP . 41.8 Cg_endo -66.65 150.5 83.7 Favored 'Trans proline' 0 C--O 1.234 0.297 0 C-N-CA 122.725 2.283 . . . . 1.84 112.669 -176.937 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.582 ' HB3' ' O ' ' A' ' 53' ' ' PRO . 9.1 t0 88.19 -60.16 0.03 OUTLIER 'General case' 0 CA--C 1.514 -0.427 0 O-C-N 124.645 1.216 . . . . 2.44 109.295 177.764 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 71.3 mtt180 -68.04 143.03 55.7 Favored 'General case' 0 C--N 1.313 -1.001 0 CA-C-O 122.011 0.91 . . . . 4.1 112.297 176.575 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 76.3 m-85 -118.97 178.91 4.32 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 114.474 -1.239 . . . . 0.97 110.073 -179.309 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.403 ' HB2' ' HA ' ' A' ' 48' ' ' ALA . 24.4 t70 -127.87 133.56 49.34 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.66 -0.7 . . . . 1.1 109.735 -177.025 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.523 ' HA ' ' O ' ' A' ' 44' ' ' LYS . 1.1 tmt? -135.86 138.14 42.18 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.156 -0.683 . . . . 0.98 109.156 178.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 59.3 tt0 -147.16 148.5 31.61 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 120.868 0.366 . . . . 1.11 111.499 -174.129 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.569 ' HB2' ' OG1' ' A' ' 67' ' ' THR . 34.7 m-80 -127.41 105.0 8.22 Favored 'General case' 0 CA--C 1.515 -0.374 0 CA-C-N 115.705 -0.68 . . . . 1.17 109.629 178.284 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 82.9 mt -100.16 123.81 44.83 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 109.881 -0.414 . . . . 1.67 109.881 176.329 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.615 ' HA ' ' O ' ' A' ' 40' ' ' GLY . 43.7 p -125.05 -153.78 0.58 Allowed 'General case' 0 N--CA 1.444 -0.76 0 CA-C-O 120.869 0.366 . . . . 0.45 110.392 -175.189 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 68.0 p -101.73 -35.26 9.14 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-N 116.156 -0.475 . . . . 0.54 110.985 -179.761 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.474 ' HG3' HG13 ' A' ' 35' ' ' VAL . 74.5 mmtt -120.06 4.94 10.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.006 -0.543 . . . . 2.24 111.562 -174.731 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.665 ' HG3' ' H ' ' A' ' 66' ' ' ASP . 29.7 tptt -146.92 -156.99 0.76 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.972 0.415 . . . . 1.82 110.662 -178.844 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.665 ' H ' ' HG3' ' A' ' 65' ' ' LYS . 3.0 t70 167.75 129.67 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.06 -0.973 . . . . 2.12 108.738 -169.257 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.569 ' OG1' ' HB2' ' A' ' 60' ' ' ASN . 23.7 p -146.88 140.63 25.84 Favored 'General case' 0 C--N 1.311 -1.081 0 N-CA-C 108.94 -0.763 . . . . 0.56 108.94 177.258 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 8.4 t-160 -140.75 96.99 3.1 Favored 'General case' 0 C--N 1.313 -1.019 0 CA-C-O 121.164 0.507 . . . . 1.95 109.945 -177.305 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 18.7 m-70 -70.69 88.33 0.7 Allowed 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.363 -0.835 . . . . 0.39 108.806 176.457 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 43.6 mttm -78.49 115.6 18.31 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.443 -0.799 . . . . 2.3 112.619 -176.854 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 61.37 76.97 0.35 Allowed 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 115.4 -0.818 . . . . 2.07 112.215 169.133 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 66.5 p-90 -122.11 145.0 48.59 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.609 -0.723 . . . . 0.43 109.897 176.546 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -101.87 146.53 27.7 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 110.102 -0.333 . . . . 0.55 110.102 176.755 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.6 tt -56.71 119.12 5.63 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.092 0.472 . . . . 1.71 110.036 174.683 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 88.86 23.98 33.95 Favored Glycine 0 N--CA 1.447 -0.579 0 CA-C-N 115.652 -0.704 . . . . 0.59 112.417 -175.117 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -119.94 131.72 55.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.383 0.611 . . . . 2.37 111.316 -178.291 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -97.71 121.92 40.18 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 114.965 -1.016 . . . . 1.4 110.182 177.126 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 38.9 p90 -133.48 157.49 45.49 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 110.026 -0.361 . . . . 0.57 110.026 -178.146 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 45.8 tt0 -90.67 151.14 21.39 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.425 -0.584 . . . . 1.95 109.425 175.58 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.512 ' HB3' HD12 ' A' ' 90' ' ' ILE . 14.9 t70 -156.79 160.83 39.6 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.581 -0.281 . . . . 1.26 110.323 -168.31 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -101.18 87.26 3.2 Favored 'General case' 0 CA--C 1.515 -0.374 0 CA-C-O 122.13 0.967 . . . . 2.13 108.745 175.41 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.426 ' HB3' ' NE2' ' A' ' 88' ' ' HIS . . . -75.99 172.28 13.02 Favored 'General case' 0 C--N 1.309 -1.163 0 CA-C-N 114.356 -1.293 . . . . 0.95 113.093 -166.904 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 12.4 mt -53.11 -34.53 57.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.817 -0.629 . . . . 1.34 111.105 -176.737 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -78.62 20.71 0.42 Allowed 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.226 -0.897 . . . . 1.55 112.276 -174.927 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 20.4 m 65.39 28.47 11.71 Favored 'General case' 0 C--O 1.235 0.329 0 N-CA-C 112.999 0.74 . . . . 1.21 112.999 164.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 13.5 p -138.52 163.39 32.1 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 116.542 -0.299 . . . . 0.93 110.343 177.634 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 5.4 mm100 -98.43 118.75 35.81 Favored 'General case' 0 CA--C 1.507 -0.69 0 N-CA-C 107.27 -1.382 . . . . 1.88 107.27 176.592 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' HIS . . . . . 0.739 ' HB2' ' O ' ' A' ' 105' ' ' ILE . 23.9 p80 -153.88 170.63 20.54 Favored 'General case' 0 C--N 1.311 -1.079 0 C-N-CA 119.71 -0.796 . . . . 1.04 111.903 -178.567 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.463 ' H ' HG13 ' A' ' 107' ' ' VAL . 20.4 ptmt -75.5 142.77 42.82 Favored 'General case' 0 N--CA 1.446 -0.655 0 CA-C-N 115.326 -0.852 . . . . 1.49 110.861 -173.019 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.512 HD12 ' HB3' ' A' ' 80' ' ' ASP . 40.1 mt -139.81 128.91 28.01 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.775 0 CA-C-N 115.503 -0.771 . . . . 0.54 110.67 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 38.3 m -110.53 131.36 55.12 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 116.359 -0.382 . . . . 0.43 110.304 174.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -113.38 127.9 56.28 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 108.997 -0.742 . . . . 0.6 108.997 174.737 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -165.1 173.1 11.81 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 110.065 -0.346 . . . . 1.69 110.065 -177.659 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.418 HD22 ' HG ' ' A' ' 100' ' ' LEU . 2.6 mm? -108.31 120.24 41.81 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.925 -0.579 . . . . 1.12 109.685 179.403 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 56.7 tptt -86.69 -46.6 9.89 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 108.388 -0.967 . . . . 3.03 108.388 -179.588 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -133.0 163.25 52.43 Favored Pre-proline 0 C--N 1.319 -0.725 0 N-CA-C 107.745 -1.206 . . . . 1.79 107.745 172.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 16.5 Cg_exo -69.74 6.61 1.24 Allowed 'Trans proline' 0 CA--C 1.528 0.178 0 C-N-CA 122.763 2.309 . . . . 0.98 111.958 -178.822 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 62.7 t30 -134.15 17.11 3.77 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.5 -0.773 . . . . 2.32 109.481 177.475 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.47 ' HA ' ' O ' ' A' ' 118' ' ' TYR . 51.7 m -152.7 106.51 3.08 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-O 121.153 0.502 . . . . 0.56 112.094 -177.03 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.585 HD23 ' N ' ' A' ' 101' ' ' THR . 4.6 tt -88.68 135.77 33.34 Favored 'General case' 0 C--O 1.223 -0.328 0 N-CA-C 107.762 -1.199 . . . . 1.1 107.762 172.433 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.585 ' N ' HD23 ' A' ' 100' ' ' LEU . 1.4 p -116.51 133.0 56.53 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 118.563 0.619 . . . . 0.41 112.125 -177.707 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -109.67 102.31 11.15 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-N 115.559 -0.746 . . . . 1.31 109.346 171.874 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 26.7 m -92.39 102.81 15.29 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 109.435 -0.58 . . . . 0.51 109.435 178.363 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' HIS . . . . . 0.457 ' HB3' HG12 ' A' ' 90' ' ' ILE . 5.9 p80 -114.1 114.98 26.82 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.506 0.67 . . . . 1.69 111.401 -176.381 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.739 ' O ' ' HB2' ' A' ' 88' ' ' HIS . 50.0 mt -116.38 129.72 72.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 114.628 -1.169 . . . . 0.75 111.003 -176.144 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.545 ' HB2' ' O ' ' A' ' 109' ' ' ASP . 21.4 mmtm -58.63 109.25 0.76 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.026 -0.533 . . . . 1.61 110.868 173.241 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.463 HG13 ' H ' ' A' ' 89' ' ' LYS . 20.9 m -59.8 -22.19 23.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.249 -0.432 . . . . 1.32 112.048 177.151 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -95.52 -45.99 6.85 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.47 -0.332 . . . . 2.5 111.0 -177.289 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 109' ' ' ASP . . . . . 0.545 ' O ' ' HB2' ' A' ' 106' ' ' LYS . 23.6 m-20 -132.3 88.82 38.82 Favored Pre-proline 0 CA--C 1.514 -0.412 0 CA-C-O 120.943 0.401 . . . . 2.39 109.993 175.118 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -69.7 19.74 0.18 Allowed 'Trans proline' 0 C--N 1.335 -0.176 0 C-N-CA 123.538 2.825 . . . . 0.9 113.139 -175.416 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' THR . . . . . 0.432 ' H ' ' C ' ' A' ' 109' ' ' ASP . 76.0 p -85.96 -30.53 22.71 Favored 'General case' 0 N--CA 1.443 -0.8 0 CA-C-N 116.086 -0.507 . . . . 1.47 110.355 174.053 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 112' ' ' ASP . . . . . 0.478 ' HB3' ' HG3' ' A' ' 106' ' ' LYS . 23.0 t70 -97.83 52.6 1.08 Allowed 'General case' 0 CA--C 1.532 0.251 0 CA-C-O 121.563 0.697 . . . . 1.59 110.878 -176.748 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.448 ' CG1' HG12 ' A' ' 105' ' ' ILE . 14.5 m -84.65 169.82 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.815 0 CA-C-N 115.999 -0.546 . . . . 1.6 111.544 178.468 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -165.68 161.14 18.0 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.363 -0.606 . . . . 2.78 109.363 172.283 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 26.1 m -131.82 116.45 17.25 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-O 120.999 0.428 . . . . 0.53 110.467 177.439 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 116' ' ' TYR . . . . . 0.414 ' HB3' ' HE3' ' A' ' 127' ' ' MET . 19.5 m-30 -89.15 142.87 27.27 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 107.839 -1.171 . . . . 0.96 107.839 176.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -132.1 116.59 17.22 Favored 'General case' 0 N--CA 1.448 -0.54 0 N-CA-C 108.262 -1.014 . . . . 1.27 108.262 -173.663 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 118' ' ' TYR . . . . . 0.514 ' HB2' ' HB3' ' A' ' 100' ' ' LEU . 68.2 m-85 -93.22 114.35 26.81 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 116.423 -0.353 . . . . 0.6 110.515 -175.805 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 42.5 ttp180 -117.88 151.81 36.65 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.232 -0.44 . . . . 3.41 110.111 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 120' ' ' ARG . . . . . 0.531 ' NH2' ' HA ' ' A' ' 123' ' ' ASP . 15.0 mmm180 -108.0 130.16 55.08 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.964 0.411 . . . . 1.96 110.991 178.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -130.56 109.52 10.73 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.281 -0.637 . . . . 1.08 109.281 176.17 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 71.21 -101.24 0.94 Allowed Glycine 0 N--CA 1.448 -0.546 0 N-CA-C 111.303 -0.719 . . . . 0.92 111.303 -175.224 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 123' ' ' ASP . . . . . 0.531 ' HA ' ' NH2' ' A' ' 120' ' ' ARG . 28.3 t70 -134.7 24.27 3.68 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 122.006 0.908 . . . . 2.31 109.6 174.83 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 87.9 m-85 -111.75 140.73 46.14 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.425 -0.807 . . . . 0.67 110.617 -179.672 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -83.14 111.43 18.9 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 107.855 -1.165 . . . . 1.03 107.855 171.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 59.3 t -103.08 115.93 45.93 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.986 0 N-CA-C 109.639 -0.504 . . . . 0.47 109.639 -173.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 127' ' ' MET . . . . . 0.649 ' O ' ' HA ' ' A' ' 137' ' ' SER . 8.3 tpt -82.78 123.13 29.04 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-N 115.393 -0.821 . . . . 1.08 110.375 -176.647 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 24.0 tptp -113.49 110.81 20.88 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 109.508 -0.553 . . . . 2.2 109.508 -177.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 48.1 mtp -131.13 148.6 52.74 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 108.711 -0.848 . . . . 1.11 108.711 -179.067 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 2.2 p -160.12 127.2 4.45 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.85 0.357 . . . . 1.06 111.631 -176.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 131' ' ' TRP . . . . . 0.545 ' CD1' ' HA ' ' A' ' 26' ' ' ARG . 57.5 t-105 -141.07 134.76 30.21 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.957 -0.565 . . . . 0.76 109.796 -179.443 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 132' ' ' LYS . . . . . 0.52 ' HD3' ' CD1' ' A' ' 131' ' ' TRP . 6.1 mptp? 52.45 38.26 24.94 Favored 'General case' 0 N--CA 1.462 0.149 0 O-C-N 123.561 0.538 . . . . 1.96 111.239 -174.411 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 79.71 -10.84 36.45 Favored Glycine 0 CA--C 1.521 0.462 0 C-N-CA 121.069 -0.586 . . . . 0.53 113.683 179.041 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 43.9 t -87.72 105.68 15.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 117.1 0.45 . . . . 0.43 110.162 -179.702 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 1.5 m -92.73 151.43 20.06 Favored 'General case' 0 N--CA 1.437 -1.125 0 CA-C-O 121.185 0.517 . . . . 1.14 111.141 -179.59 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 5.0 t -139.47 150.07 44.74 Favored 'General case' 0 C--N 1.313 -1.019 0 CA-C-N 115.157 -0.929 . . . . 0.4 109.389 176.157 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 137' ' ' SER . . . . . 0.649 ' HA ' ' O ' ' A' ' 127' ' ' MET . 19.5 m -136.98 95.67 3.16 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.972 0.415 . . . . 0.79 110.384 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 138' ' ' ARG . . . . . 0.41 ' HD2' ' CE1' ' A' ' 19' ' ' PHE . 33.8 mtp180 -79.3 136.95 37.17 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.962 -0.755 . . . . 1.84 108.962 177.696 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 84.3 m-85 -100.56 106.53 18.05 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 121.36 0.6 . . . . 0.64 111.308 -175.488 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 87.5 m-85 -103.36 135.54 44.79 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 114.902 -1.044 . . . . 0.6 109.871 179.728 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 141' ' ' LYS . . . . . 0.534 ' HG3' ' O ' ' A' ' 142' ' ' LYS . 17.6 ptpt -113.09 168.5 9.65 Favored 'General case' 0 C--N 1.311 -1.069 0 N-CA-C 107.893 -1.151 . . . . 1.92 107.893 175.869 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 142' ' ' LYS . . . . . 0.615 ' O ' ' HG2' ' A' ' 12' ' ' LYS . 45.5 tttp -54.9 165.95 0.57 Allowed 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 118.441 0.564 . . . . 2.13 110.383 170.634 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 143' ' ' GLN . . . . . 0.546 ' NE2' ' HB3' ' A' ' 12' ' ' LYS . 52.8 mm-40 . . . . . 0 C--O 1.249 1.035 0 O-C-N 121.121 -0.987 . . . . 1.46 110.968 167.198 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 19.0 m . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.046 -0.353 . . . . 0.99 110.046 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.644 HD23 ' HD2' ' A' ' 4' ' ' PRO . 0.1 OUTLIER -60.13 117.09 20.64 Favored Pre-proline 0 C--O 1.235 0.328 0 CA-C-N 116.178 -0.464 . . . . 0.59 111.348 -172.863 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 4' ' ' PRO . . . . . 0.644 ' HD2' HD23 ' A' ' 3' ' ' LEU . 31.9 Cg_exo -57.82 128.89 30.82 Favored 'Trans proline' 0 N--CA 1.461 -0.419 0 C-N-CA 122.989 2.459 . . . . 0.61 111.419 173.598 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -54.76 -25.95 31.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.705 -0.68 . . . . 2.19 111.899 -179.341 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 57.6 mtpt -59.0 -19.85 47.45 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.408 0.522 . . . . 2.53 112.408 178.362 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.5 ' CE1' ' HG2' ' A' ' 120' ' ' ARG . 48.9 m-85 -96.09 5.75 50.41 Favored 'General case' 0 C--N 1.327 -0.4 0 O-C-N 122.165 -0.334 . . . . 0.6 111.43 179.87 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.522 HD23 ' HB3' ' A' ' 45' ' ' PHE . 97.2 mt -99.8 143.28 30.2 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.076 0.465 . . . . 0.46 111.752 -174.661 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 131.6 -179.74 16.84 Favored Glycine 0 N--CA 1.449 -0.481 0 CA-C-N 115.538 -0.755 . . . . 0.52 112.552 179.754 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.513 HG22 ' HG3' ' A' ' 143' ' ' GLN . 96.4 m -105.94 122.62 46.5 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.803 0.335 . . . . 1.05 110.171 177.637 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.42 ' HA ' ' HA ' ' A' ' 142' ' ' LYS . 77.7 m-85 -119.19 134.11 55.39 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.124 -0.489 . . . . 0.47 110.842 -176.396 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.486 ' HB3' ' CD ' ' A' ' 143' ' ' GLN . 0.0 OUTLIER -97.16 133.67 41.49 Favored 'General case' 0 C--O 1.234 0.282 0 C-N-CA 120.019 -0.673 . . . . 2.19 111.037 174.096 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 52.0 tp -59.72 129.15 40.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.753 -0.658 . . . . 1.14 110.904 174.429 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -104.58 -50.81 3.22 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.215 -0.448 . . . . 2.08 110.543 177.273 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 16.2 ptp180 -154.77 -179.03 7.63 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.547 -0.297 . . . . 3.36 110.552 -173.65 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.413 ' HA ' ' HA ' ' A' ' 138' ' ' ARG . 3.2 p30 -148.63 176.77 10.06 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.503 -0.317 . . . . 1.19 110.714 178.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -148.44 113.92 5.62 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.116 -0.493 . . . . 2.66 110.401 -178.761 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 44.9 t30 72.08 24.64 3.15 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-O 121.551 0.691 . . . . 0.76 111.263 175.293 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.484 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 14.0 t80 -73.61 -37.67 65.34 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.625 -0.716 . . . . 0.49 110.374 -175.08 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -52.09 -57.51 9.35 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.183 -0.462 . . . . 2.04 111.336 175.524 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 43.7 mm-40 -52.55 -42.41 64.4 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 115.769 -0.651 . . . . 1.79 110.897 177.909 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 89.5 t80 -58.65 -40.86 84.63 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 116.304 -0.407 . . . . 0.57 111.237 177.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.484 ' HG ' ' O ' ' A' ' 19' ' ' PHE . 96.5 mt -62.58 -44.11 97.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.038 0.447 . . . . 0.37 110.802 -178.464 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 55.9 mtmt -67.07 -40.47 87.06 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.86 -0.609 . . . . 1.88 110.674 179.718 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.5 -40.08 95.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.758 -0.655 . . . . 0.44 111.177 178.192 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 13.2 mmm180 -73.9 -7.11 51.04 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.824 -0.625 . . . . 1.29 111.556 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 94.58 11.1 57.36 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.536 -0.84 . . . . 0.62 112.895 174.298 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 74.6 m-85 -73.93 124.22 25.76 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-O 120.834 0.35 . . . . 0.64 110.099 179.06 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.515 ' O ' ' HG3' ' A' ' 33' ' ' ARG . . . -81.08 -177.13 51.45 Favored Glycine 0 N--CA 1.447 -0.6 0 N-CA-C 111.338 -0.705 . . . . 1.54 111.338 177.327 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 42.0 t90 -48.29 -46.08 35.64 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 111.727 0.269 . . . . 1.18 111.727 -177.212 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.817 ' H ' HD12 ' A' ' 31' ' ' ILE . 3.6 mp -51.8 -58.6 2.08 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.971 0 O-C-N 123.705 0.628 . . . . 2.16 110.087 -173.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 55.0 mmm -69.45 -39.71 77.59 Favored 'General case' 0 N--CA 1.422 -1.833 0 CA-C-N 115.179 -0.919 . . . . 0.97 111.058 -175.199 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.515 ' HG3' ' O ' ' A' ' 29' ' ' GLY . 44.9 mtm-85 -57.48 -42.32 82.39 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 120.919 -0.312 . . . . 1.87 111.324 -177.809 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.565 ' HG3' ' O ' ' A' ' 31' ' ' ILE . 1.7 pp0? -73.9 -35.3 64.64 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.632 -0.427 . . . . 1.97 110.721 -177.679 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.413 ' CG1' ' HG3' ' A' ' 64' ' ' LYS . 69.2 t -71.39 -51.19 35.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 121.154 0.502 . . . . 0.68 110.567 178.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 96.0 mt -52.78 -39.98 33.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.012 -0.995 . . . . 0.51 112.589 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.427 ' HG3' ' O ' ' A' ' 33' ' ' ARG . 61.5 mttm -63.22 -36.87 85.1 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 121.064 0.459 . . . . 0.97 111.45 178.228 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 46.2 mt -86.77 -5.12 59.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.07 -0.514 . . . . 2.08 111.57 -173.789 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -82.33 111.78 18.7 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.403 -0.362 . . . . 1.03 111.325 -177.212 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.453 ' O ' ' HA ' ' A' ' 62' ' ' THR . . . -69.29 137.1 28.99 Favored Glycine 0 N--CA 1.449 -0.443 0 N-CA-C 110.544 -1.022 . . . . 0.84 110.544 172.069 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 28.3 t -121.64 127.94 75.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-O 121.247 0.546 . . . . 1.3 112.003 -171.92 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 22.5 m -117.53 119.54 35.35 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.554 -0.748 . . . . 0.45 110.209 173.803 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.49 ' HZ3' ' ND2' ' A' ' 60' ' ' ASN . 69.5 mmtt -97.38 135.56 39.1 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.862 -0.421 . . . . 0.79 109.862 178.746 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.56 ' O ' ' HA ' ' A' ' 58' ' ' MET . 27.9 mtpp -133.18 131.78 40.8 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.708 0.289 . . . . 1.96 111.447 -178.13 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.566 ' CE2' ' HG3' ' A' ' 58' ' ' MET . 53.2 m-85 -129.51 142.95 50.66 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.718 -0.674 . . . . 0.54 109.382 172.536 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 12.7 ptm180 -162.47 166.53 24.81 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 120.795 0.331 . . . . 3.17 110.497 173.866 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -69.75 136.35 50.83 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 108.15 -1.055 . . . . 1.85 108.15 172.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.713 ' HB3' ' CG ' ' A' ' 55' ' ' ARG . . . -73.53 175.09 7.37 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.116 0.484 . . . . 0.87 111.598 -174.871 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -128.84 -15.6 4.32 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.62 -0.718 . . . . 1.48 111.108 -174.364 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 22.9 t -49.91 -22.34 1.49 Allowed 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 115.33 -0.85 . . . . 2.37 111.575 174.901 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 94.32 9.3 59.28 Favored Glycine 0 CA--C 1.52 0.39 0 C-N-CA 120.632 -0.794 . . . . 1.91 114.406 171.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.69 ' O ' ' HB3' ' A' ' 55' ' ' ARG . 4.1 mppt? -104.17 104.03 41.64 Favored Pre-proline 0 C--O 1.214 -0.789 0 CA-C-N 117.858 0.829 . . . . 3.17 110.107 177.811 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.408 ' C ' ' H ' ' A' ' 55' ' ' ARG . 9.6 Cg_endo -49.82 151.14 8.5 Favored 'Trans proline' 0 N--CA 1.474 0.352 0 C-N-CA 123.242 2.628 . . . . 1.84 113.256 -168.106 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 14.3 t70 84.77 -21.9 0.23 Allowed 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 124.52 1.128 . . . . 2.44 108.954 -174.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.713 ' CG ' ' HB3' ' A' ' 48' ' ' ALA . 24.6 ptt-85 -42.41 133.97 3.12 Favored 'General case' 0 C--O 1.239 0.508 0 CA-C-N 114.567 -1.197 . . . . 4.1 113.368 169.222 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 76.5 m-85 -139.23 159.05 43.06 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 109.161 -0.681 . . . . 0.97 109.161 166.544 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -117.02 134.14 55.12 Favored 'General case' 0 C--N 1.317 -0.844 0 N-CA-C 108.604 -0.888 . . . . 1.1 108.604 179.363 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.566 ' HG3' ' CE2' ' A' ' 45' ' ' PHE . 1.8 tmt? -143.21 140.49 30.74 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.917 0.389 . . . . 0.98 110.346 -176.412 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -130.82 141.21 50.33 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.069 0.461 . . . . 1.11 111.697 -177.699 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.49 ' ND2' ' HZ3' ' A' ' 43' ' ' LYS . 0.7 OUTLIER -112.91 85.51 2.19 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 107.037 -1.468 . . . . 1.17 107.037 173.076 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 85.9 mt -89.14 135.35 33.61 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 120.783 0.325 . . . . 1.67 110.958 -173.9 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.453 ' HA ' ' O ' ' A' ' 40' ' ' GLY . 18.5 p -136.66 -158.03 0.83 Allowed 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.194 -0.669 . . . . 0.45 109.194 -179.24 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 64.5 p -102.33 -17.65 15.79 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-O 121.017 0.437 . . . . 0.54 111.448 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.413 ' HG3' ' CG1' ' A' ' 35' ' ' VAL . 48.1 mmtm -112.57 -55.32 2.53 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.93 0.395 . . . . 2.24 111.187 -175.758 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 16.2 tppt? -127.02 126.16 42.66 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 116.107 -0.497 . . . . 1.82 110.296 -178.674 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -111.53 150.55 29.82 Favored 'General case' 0 C--N 1.318 -0.761 0 N-CA-C 108.888 -0.782 . . . . 2.12 108.888 179.297 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.513 HG23 HD13 ' A' ' 83' ' ' LEU . 34.3 p -124.94 152.68 43.8 Favored 'General case' 0 C--N 1.317 -0.847 0 N-CA-C 110.221 -0.288 . . . . 0.56 110.221 179.444 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 21.1 t-160 -136.76 83.13 1.98 Allowed 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.044 0.45 . . . . 1.95 110.097 -178.775 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.512 ' HD2' ' SD ' ' A' ' 58' ' ' MET . 27.4 m-70 -73.71 88.16 1.72 Allowed 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 108.953 -0.758 . . . . 0.39 108.953 177.445 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 8.8 ptpt -89.68 135.17 33.77 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 112.455 0.539 . . . . 2.3 112.455 -178.18 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 46.67 61.33 2.85 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 114.038 -1.437 . . . . 2.07 112.809 174.085 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 55.2 p-90 -100.1 149.35 23.59 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.118 -0.946 . . . . 0.43 109.231 172.465 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.563 ' O ' ' HB2' ' A' ' 76' ' ' GLU . . . -116.93 154.02 31.57 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 116.383 -0.371 . . . . 0.55 110.084 179.193 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.506 HD11 HD23 ' A' ' 94' ' ' LEU . 3.8 mm? -59.22 128.29 36.42 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.099 0.476 . . . . 1.71 111.175 174.292 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 86.19 6.68 81.24 Favored Glycine 0 N--CA 1.447 -0.624 0 CA-C-N 115.486 -0.779 . . . . 0.59 111.794 -178.551 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.563 ' HB2' ' O ' ' A' ' 73' ' ' ALA . 9.8 mm-40 -103.18 150.56 23.56 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.513 0.673 . . . . 2.37 111.648 -178.25 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.503 ' HA ' ' O ' ' A' ' 90' ' ' ILE . 28.8 tt0 -130.72 118.33 20.73 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 114.648 -1.16 . . . . 1.4 108.734 -177.078 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 48.0 p90 -128.88 151.88 49.14 Favored 'General case' 0 C--N 1.317 -0.818 0 N-CA-C 110.24 -0.282 . . . . 0.57 110.24 -176.613 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.452 ' HA ' ' O ' ' A' ' 88' ' ' HIS . 1.8 mp0 -84.85 147.73 26.65 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 108.893 -0.781 . . . . 1.95 108.893 174.794 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.403 ' HB3' HD12 ' A' ' 90' ' ' ILE . 26.4 t0 -164.92 165.69 20.12 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.47 -0.332 . . . . 1.26 110.27 -171.163 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.476 ' O ' HG22 ' A' ' 67' ' ' THR . 34.1 tt0 -101.63 97.36 7.79 Favored 'General case' 0 CA--C 1.514 -0.431 0 N-CA-C 108.832 -0.803 . . . . 2.13 108.832 178.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -84.15 176.59 8.68 Favored 'General case' 0 C--N 1.314 -0.967 0 CA-C-N 114.992 -1.004 . . . . 0.95 112.899 -171.185 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.682 HD22 ' H ' ' A' ' 83' ' ' LEU . 2.4 mm? -54.75 -38.79 67.6 Favored 'General case' 0 CA--C 1.515 -0.389 0 CA-C-O 121.454 0.645 . . . . 1.34 109.641 179.323 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -74.93 8.85 2.21 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 114.887 -1.051 . . . . 1.55 111.033 -173.85 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 7.4 m 64.45 38.01 7.84 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 115.221 -0.9 . . . . 1.21 111.895 169.284 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 25.0 p -122.93 161.43 24.2 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.964 -0.562 . . . . 0.93 110.642 174.858 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 59.4 mm-40 -106.53 79.94 1.42 Allowed 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 107.92 -1.141 . . . . 1.88 107.92 176.916 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' HIS . . . . . 0.564 ' HB2' ' HA ' ' A' ' 106' ' ' LYS . 10.0 p-80 -124.81 173.68 8.43 Favored 'General case' 0 C--N 1.313 -1.012 0 C-N-CA 119.971 -0.692 . . . . 1.04 111.241 -164.473 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.514 ' O ' ' HD2' ' A' ' 88' ' ' HIS . 62.7 pttt -85.73 136.21 33.44 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-O 121.442 0.639 . . . . 1.49 110.356 -178.388 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.503 ' O ' ' HA ' ' A' ' 77' ' ' GLU . 7.6 mt -131.4 127.07 59.45 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.848 0 CA-C-N 115.498 -0.774 . . . . 0.54 110.72 -171.494 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 15.8 m -117.37 141.83 47.84 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 120.895 0.379 . . . . 0.43 111.235 -178.101 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 37.3 m-85 -117.81 133.01 56.36 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.595 -0.73 . . . . 0.6 109.109 174.569 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -153.97 142.45 20.71 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.9 0.381 . . . . 1.69 110.801 -175.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.506 HD23 HD11 ' A' ' 74' ' ' LEU . 0.4 OUTLIER -87.61 114.83 24.59 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 108.978 -0.749 . . . . 1.12 108.978 177.016 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 59.7 tttp -86.46 -42.04 13.92 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.14 -0.689 . . . . 3.03 109.14 -175.122 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -155.41 164.79 20.0 Favored Pre-proline 0 C--N 1.319 -0.718 0 N-CA-C 106.935 -1.506 . . . . 1.79 106.935 172.238 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_exo -58.79 0.32 0.43 Allowed 'Trans proline' 0 N--CA 1.48 0.696 0 C-N-CA 123.309 2.673 . . . . 0.98 114.762 -172.756 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' ASN . . . . . 0.446 ' O ' ' HA ' ' A' ' 119' ' ' ARG . 7.4 t30 -135.31 18.97 3.38 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.043 0.449 . . . . 2.32 109.996 177.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 25.6 m -145.08 107.01 4.28 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-O 121.182 0.515 . . . . 0.56 111.839 179.347 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.498 HD12 HD21 ' A' ' 3' ' ' LEU . 0.8 OUTLIER -93.38 136.95 33.16 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.696 -1.224 . . . . 1.1 107.696 170.852 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 17.5 p -112.71 128.86 56.52 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 119.117 0.871 . . . . 0.41 111.452 179.828 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 69.5 tt0 -111.33 102.57 10.96 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.325 -0.852 . . . . 1.31 109.12 175.021 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 25.0 m -98.19 114.76 27.1 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.105 0.479 . . . . 0.51 111.033 -174.813 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 39.5 m170 -96.1 100.52 12.16 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.913 -0.585 . . . . 1.69 110.179 176.848 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.47 ' O ' ' HB2' ' A' ' 88' ' ' HIS . 17.9 mt -104.81 113.48 41.95 Favored 'Isoleucine or valine' 0 C--O 1.238 0.455 0 CA-C-O 121.177 0.513 . . . . 0.75 111.164 176.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.564 ' HA ' ' HB2' ' A' ' 88' ' ' HIS . 42.2 mtmt -63.63 117.31 6.63 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.369 -0.832 . . . . 1.61 111.134 179.361 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 11.4 m -57.63 -26.64 27.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.266 -0.879 . . . . 1.32 111.036 175.823 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -76.65 -51.9 10.67 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.498 -0.773 . . . . 2.5 110.771 179.762 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -138.85 91.93 11.46 Favored Pre-proline 0 CA--C 1.515 -0.371 0 CA-C-O 121.307 0.575 . . . . 2.39 110.081 -179.695 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 68.2 Cg_endo -73.73 8.92 1.76 Allowed 'Trans proline' 0 N--CA 1.464 -0.244 0 C-N-CA 123.566 2.844 . . . . 0.9 113.204 -176.08 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 41.7 p -92.29 -23.25 19.35 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.5 0.667 . . . . 1.47 110.185 175.153 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 112' ' ' ASP . . . . . 0.467 ' HB3' ' HE2' ' A' ' 106' ' ' LYS . 37.0 t70 -108.27 46.88 0.93 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.282 -0.872 . . . . 1.59 109.838 -175.688 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.431 HG12 ' HA ' ' A' ' 105' ' ' ILE . 14.5 m -70.29 -179.04 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.171 -0.922 . . . . 1.6 112.049 179.674 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -153.82 143.48 21.75 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.582 -0.736 . . . . 2.78 109.391 176.28 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 23.8 m -143.09 140.52 30.93 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.138 0.494 . . . . 0.53 111.478 -176.722 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -118.68 162.51 18.29 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 107.381 -1.34 . . . . 0.96 107.381 174.195 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 117' ' ' GLU . . . . . 0.518 ' HB2' ' HB3' ' A' ' 128' ' ' LYS . 30.3 mt-10 -135.17 123.87 23.76 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 108.131 -1.063 . . . . 1.27 108.131 179.444 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 118' ' ' TYR . . . . . 0.433 ' HB2' ' HB3' ' A' ' 100' ' ' LEU . 40.1 m-85 -93.42 115.83 28.37 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-O 120.887 0.375 . . . . 0.6 110.381 -175.883 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 119' ' ' ARG . . . . . 0.446 ' HA ' ' O ' ' A' ' 98' ' ' ASN . 88.7 mtm180 -120.46 157.1 30.09 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.822 -0.626 . . . . 3.41 110.327 -178.326 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 120' ' ' ARG . . . . . 0.5 ' HG2' ' CE1' ' A' ' 7' ' ' PHE . 12.1 mmm180 -102.48 140.37 36.85 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 110.235 -0.283 . . . . 1.96 110.235 174.721 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -142.28 89.3 2.15 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.557 -0.534 . . . . 1.08 109.557 173.923 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 71.55 -113.11 4.46 Favored Glycine 0 N--CA 1.446 -0.634 0 N-CA-C 111.052 -0.819 . . . . 0.92 111.052 -175.071 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -107.49 12.31 27.96 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.058 0.456 . . . . 2.31 110.409 176.746 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 -106.74 140.55 39.42 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 116.072 -0.513 . . . . 0.67 111.122 -179.196 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -91.89 117.62 29.97 Favored 'General case' 0 N--CA 1.449 -0.524 0 N-CA-C 107.479 -1.304 . . . . 1.03 107.479 170.613 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 72.1 t -111.55 120.08 61.28 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.855 0 CA-C-O 121.153 0.502 . . . . 0.47 110.29 -172.286 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 127' ' ' MET . . . . . 0.549 ' O ' ' HA ' ' A' ' 137' ' ' SER . 31.1 ttm -93.02 136.59 33.15 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-N 115.572 -0.74 . . . . 1.08 110.418 -179.312 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 128' ' ' LYS . . . . . 0.518 ' HB3' ' HB2' ' A' ' 117' ' ' GLU . 23.9 tptm -119.85 116.27 25.53 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 109.301 -0.629 . . . . 2.2 109.301 178.338 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 129' ' ' MET . . . . . 0.503 ' HB2' ' CG2' ' A' ' 136' ' ' THR . 16.3 mtp -122.79 133.73 54.44 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 108.445 -0.946 . . . . 1.11 108.445 -179.803 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 130' ' ' SER . . . . . 0.425 ' HA ' ' O ' ' A' ' 134' ' ' VAL . 10.8 p -141.19 129.68 22.57 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.185 0.517 . . . . 1.06 111.615 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 131' ' ' TRP . . . . . 0.428 ' CD1' ' HG3' ' A' ' 132' ' ' LYS . 53.1 t-105 -144.93 130.23 18.66 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.318 -0.855 . . . . 0.76 110.085 178.526 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 132' ' ' LYS . . . . . 0.428 ' HG3' ' CD1' ' A' ' 131' ' ' TRP . 67.8 mttm 51.51 44.26 29.15 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 121.196 0.522 . . . . 1.96 111.245 -177.451 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 80.93 -22.14 5.18 Favored Glycine 0 CA--C 1.52 0.353 0 CA-C-N 115.725 -0.67 . . . . 0.53 113.016 179.616 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 134' ' ' VAL . . . . . 0.425 ' O ' ' HA ' ' A' ' 130' ' ' SER . 27.7 t -74.85 107.83 5.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 N-CA-C 110.159 -0.312 . . . . 0.43 110.159 -177.73 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 1.2 m -102.71 137.21 41.23 Favored 'General case' 0 N--CA 1.433 -1.285 0 CA-C-O 121.134 0.493 . . . . 1.14 110.992 -179.739 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 136' ' ' THR . . . . . 0.503 ' CG2' ' HB2' ' A' ' 129' ' ' MET . 6.2 t -134.81 135.63 41.92 Favored 'General case' 0 C--N 1.309 -1.171 0 CA-C-N 115.344 -0.843 . . . . 0.4 110.22 179.615 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 137' ' ' SER . . . . . 0.549 ' HA ' ' O ' ' A' ' 127' ' ' MET . 62.0 m -116.47 110.0 18.04 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.242 -0.435 . . . . 0.79 109.961 176.068 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 138' ' ' ARG . . . . . 0.413 ' HA ' ' HA ' ' A' ' 16' ' ' ASP . 29.7 mtp180 -90.2 131.42 36.04 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.232 -0.655 . . . . 1.84 109.232 177.392 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -100.41 112.22 24.55 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.196 0.522 . . . . 0.64 111.091 -174.624 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 68.8 m-85 -107.76 135.03 49.87 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.252 -0.885 . . . . 0.6 108.841 177.116 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 13.3 ptpt -108.45 168.17 9.51 Favored 'General case' 0 C--N 1.309 -1.154 0 N-CA-C 107.565 -1.272 . . . . 1.92 107.565 172.728 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 142' ' ' LYS . . . . . 0.42 ' HA ' ' HA ' ' A' ' 11' ' ' PHE . 78.5 tttt -57.24 170.19 0.51 Allowed 'General case' 0 C--N 1.313 -1.003 0 CA-C-O 121.251 0.548 . . . . 2.13 110.888 174.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 143' ' ' GLN . . . . . 0.513 ' HG3' HG22 ' A' ' 10' ' ' THR . 17.5 mm-40 . . . . . 0 C--O 1.248 0.976 0 O-C-N 121.33 -0.856 . . . . 1.46 109.838 160.633 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 2.0 m . . . . . 0 N--CA 1.449 -0.511 0 CA-C-O 120.951 0.405 . . . . 0.99 110.533 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.453 ' HA ' HD23 ' A' ' 3' ' ' LEU . 5.7 mt -62.05 123.84 79.54 Favored Pre-proline 0 C--N 1.323 -0.58 0 CA-C-N 115.487 -0.779 . . . . 0.59 111.508 179.548 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_exo -59.8 135.44 63.63 Favored 'Trans proline' 0 N--CA 1.458 -0.585 0 C-N-CA 122.722 2.281 . . . . 0.61 110.567 171.119 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' ASP . . . . . 0.435 ' HA ' HD12 ' A' ' 8' ' ' LEU . 6.1 m-20 -54.76 -21.79 12.14 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 115.978 -0.556 . . . . 2.19 111.824 -178.442 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.579 ' O ' ' HD3' ' A' ' 120' ' ' ARG . 67.9 mttm -59.79 -26.92 66.12 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.309 0.485 . . . . 2.53 112.309 176.31 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -99.65 -0.48 40.17 Favored 'General case' 0 C--N 1.328 -0.327 0 O-C-N 122.036 -0.415 . . . . 0.6 110.258 -179.228 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.467 ' HA ' ' HB2' ' A' ' 45' ' ' PHE . 89.5 mt -102.64 145.42 29.69 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.184 0.516 . . . . 0.46 111.438 -174.177 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 127.24 -173.97 18.43 Favored Glycine 0 N--CA 1.446 -0.693 0 CA-C-N 115.441 -0.8 . . . . 0.52 111.559 -176.355 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.522 HG23 ' HG2' ' A' ' 44' ' ' LYS . 36.1 m -110.95 123.23 49.75 Favored 'General case' 0 N--CA 1.446 -0.625 0 N-CA-C 109.994 -0.373 . . . . 1.05 109.994 177.082 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.447 ' HA ' ' HA ' ' A' ' 142' ' ' LYS . 56.9 m-85 -118.24 136.07 53.89 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.317 -0.401 . . . . 0.47 111.166 -174.749 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.564 ' HB3' ' OE1' ' A' ' 143' ' ' GLN . 21.7 ptmt -101.05 132.4 46.51 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 120.061 -0.656 . . . . 2.19 111.7 173.591 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.588 HD23 ' CE2' ' A' ' 140' ' ' TYR . 2.8 tm? -58.35 129.58 42.67 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 115.127 -0.942 . . . . 1.14 110.816 176.606 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -106.48 -46.99 3.88 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.363 -0.381 . . . . 2.08 111.533 -179.551 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 2.2 ptm180 -162.44 -174.38 4.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.908 0.385 . . . . 3.36 110.901 -178.666 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -143.84 163.8 32.35 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.808 -0.633 . . . . 1.19 110.387 -179.277 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -145.74 118.47 8.64 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.571 -0.286 . . . . 2.66 110.628 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 42.4 t30 73.17 22.0 2.97 Favored 'General case' 0 N--CA 1.477 0.904 0 CA-C-O 121.764 0.792 . . . . 0.76 110.427 179.542 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.497 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 9.7 t80 -75.89 -42.2 49.83 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.103 -0.953 . . . . 0.49 111.273 -171.604 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.426 ' O ' ' HG3' ' A' ' 24' ' ' LYS . 8.2 p-10 -60.51 -42.05 95.61 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 121.176 -0.21 . . . . 2.04 110.564 177.711 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 22.9 mm-40 -54.18 -46.12 72.28 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.442 -0.345 . . . . 1.79 110.727 175.657 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 43.6 t80 -58.76 -39.65 81.62 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.293 -0.412 . . . . 0.57 110.71 176.575 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.497 ' HG ' ' O ' ' A' ' 19' ' ' PHE . 88.7 mt -67.5 -38.67 84.66 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.309 -0.405 . . . . 0.37 110.576 -175.448 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.426 ' HG3' ' O ' ' A' ' 20' ' ' ASP . 89.8 mttt -64.25 -50.26 68.66 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.841 -0.618 . . . . 1.88 110.054 177.118 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.04 -36.61 75.31 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.344 -0.844 . . . . 0.44 111.021 178.134 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.49 ' HA ' ' CD1' ' A' ' 131' ' ' TRP . 16.0 tpt180 -70.7 -17.81 62.82 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.786 -0.643 . . . . 1.29 111.14 -178.929 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 95.61 28.16 9.85 Favored Glycine 0 N--CA 1.447 -0.618 0 C-N-CA 120.766 -0.73 . . . . 0.62 112.762 179.428 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 48.8 m-85 -92.66 129.38 38.6 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.871 0.367 . . . . 0.64 110.397 175.808 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -74.9 178.68 45.87 Favored Glycine 0 N--CA 1.445 -0.703 0 CA-C-N 115.668 -0.697 . . . . 1.54 111.921 177.139 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.518 ' O ' ' HG2' ' A' ' 34' ' ' GLN . 90.4 t90 -50.63 -54.75 20.32 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 122.759 0.424 . . . . 1.18 111.901 -176.513 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 1.2 mm -52.77 -54.58 15.44 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.314 0 N-CA-C 111.989 0.366 . . . . 2.16 111.989 -178.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.75 -45.02 82.3 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.634 -0.257 . . . . 0.97 110.838 177.438 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.451 ' HA ' HD13 ' A' ' 23' ' ' LEU . 41.5 ttp180 -65.46 -21.01 66.6 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.186 0.517 . . . . 1.87 110.74 -177.838 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.518 ' HG2' ' O ' ' A' ' 30' ' ' TRP . 89.7 mm-40 -84.02 -39.36 19.73 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.855 -0.611 . . . . 1.97 110.34 177.356 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 55.7 t -73.5 -57.45 6.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.26 -0.427 . . . . 0.68 111.111 -176.869 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 66.8 mt -47.43 -35.76 4.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 N-CA-C 113.753 1.02 . . . . 0.51 113.753 179.431 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.42 ' HG3' ' O ' ' A' ' 33' ' ' ARG . 40.3 mtmt -77.09 -21.83 53.72 Favored 'General case' 0 N--CA 1.467 0.39 0 O-C-N 121.967 -0.458 . . . . 0.97 111.681 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 54.9 mt -90.3 -13.58 34.96 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.245 0.545 . . . . 2.08 110.305 -179.443 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -75.82 109.21 9.24 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.407 -0.815 . . . . 1.03 111.049 -178.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.407 ' O ' ' HA ' ' A' ' 62' ' ' THR . . . -77.97 154.92 41.92 Favored Glycine 0 N--CA 1.444 -0.83 0 N-CA-C 110.387 -1.085 . . . . 0.84 110.387 174.159 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.445 HG22 HG22 ' A' ' 62' ' ' THR . 43.9 t -133.71 131.82 56.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-O 121.228 0.537 . . . . 1.3 110.723 -175.892 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 23.7 m -107.34 107.14 17.91 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.766 -0.652 . . . . 0.45 109.761 175.918 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.791 ' HE3' ' SD ' ' A' ' 127' ' ' MET . 74.2 mmtt -84.14 129.52 34.89 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.098 -0.501 . . . . 0.79 110.029 179.378 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.582 ' O ' ' HA ' ' A' ' 58' ' ' MET . 10.2 mtpm? -128.81 106.06 8.67 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 120.811 0.339 . . . . 1.96 110.726 177.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.484 ' CZ ' ' HE2' ' A' ' 58' ' ' MET . 91.4 m-85 -109.86 120.65 43.15 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 109.251 -0.648 . . . . 0.54 109.251 177.018 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 15.3 ptm180 -149.13 162.85 39.15 Favored 'General case' 0 C--N 1.319 -0.735 0 C-N-CA 120.68 -0.408 . . . . 3.17 111.072 -178.545 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ASN . . . . . 0.425 ' HA ' ' CD2' ' A' ' 56' ' ' TYR . 1.9 t-20 -65.83 144.26 56.95 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 107.602 -1.259 . . . . 1.85 107.602 171.676 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -47.14 130.29 12.63 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-O 121.554 0.693 . . . . 0.87 111.997 -171.85 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.11 -34.23 77.16 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 114.235 -1.348 . . . . 1.48 111.697 -169.148 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 19.3 m -72.44 13.22 0.36 Allowed 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 112.233 0.457 . . . . 2.37 112.233 178.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 76.03 29.09 59.35 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.8 -0.714 . . . . 1.91 113.074 177.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -92.93 123.46 61.24 Favored Pre-proline 0 C--N 1.323 -0.584 0 N-CA-C 110.087 -0.338 . . . . 3.17 110.087 177.124 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.476 ' O ' ' HB3' ' A' ' 54' ' ' ASP . 72.0 Cg_endo -76.01 146.33 29.05 Favored 'Trans proline' 0 N--CA 1.46 -0.462 0 C-N-CA 122.606 2.204 . . . . 1.84 111.761 177.914 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.476 ' HB3' ' O ' ' A' ' 53' ' ' PRO . 19.6 t70 78.73 -52.94 0.47 Allowed 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 123.803 0.841 . . . . 2.44 109.528 -179.857 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 4.1 tpp180 -55.89 132.36 49.44 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 114.804 -1.089 . . . . 4.1 110.689 172.426 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.425 ' CD2' ' HA ' ' A' ' 47' ' ' ASN . 48.4 m-85 -113.95 171.02 7.85 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.296 0.569 . . . . 0.97 111.837 179.124 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -132.74 135.45 45.75 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.269 -0.878 . . . . 1.1 108.662 176.667 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.582 ' HA ' ' O ' ' A' ' 44' ' ' LYS . 1.5 tmt? -144.2 142.73 30.69 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.594 -0.521 . . . . 0.98 109.594 -176.481 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.486 ' HG2' ' HB2' ' A' ' 44' ' ' LYS . 15.6 pt-20 -149.44 157.97 43.77 Favored 'General case' 0 C--N 1.319 -0.745 0 C-N-CA 120.457 -0.497 . . . . 1.11 111.687 -179.395 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.422 ' HB2' ' OG1' ' A' ' 67' ' ' THR . 31.9 m-80 -130.31 98.98 4.87 Favored 'General case' 0 CA--C 1.513 -0.465 0 CA-C-N 115.281 -0.872 . . . . 1.17 109.7 -178.389 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 93.6 mt -92.01 125.28 36.64 Favored 'General case' 0 C--N 1.316 -0.85 0 N-CA-C 109.752 -0.462 . . . . 1.67 109.752 176.704 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.445 HG22 HG22 ' A' ' 41' ' ' VAL . 29.9 p -126.73 -158.33 0.86 Allowed 'General case' 0 N--CA 1.446 -0.647 0 N-CA-C 109.966 -0.383 . . . . 0.45 109.966 -175.871 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 74.3 p -98.0 -36.29 10.17 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-O 121.151 0.5 . . . . 0.54 110.668 -178.826 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -102.02 -24.23 14.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.712 -0.676 . . . . 2.24 111.416 -175.608 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.71 ' HG3' ' H ' ' A' ' 66' ' ' ASP . 19.6 tptp -138.49 -146.31 0.21 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.013 0.435 . . . . 1.82 110.227 -174.851 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.71 ' H ' ' HG3' ' A' ' 65' ' ' LYS . 7.7 p-10 163.5 147.69 0.01 OUTLIER 'General case' 0 C--N 1.31 -1.132 0 CA-C-N 114.82 -1.082 . . . . 2.12 108.853 -165.542 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.512 HG22 ' O ' ' A' ' 81' ' ' GLU . 22.3 p -150.5 150.22 30.99 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 108.386 -0.968 . . . . 0.56 108.386 173.512 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 3.5 t-160 -144.12 99.06 3.32 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.419 0.628 . . . . 1.95 109.977 175.276 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 8.8 m-70 -79.6 81.47 5.86 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.021 -0.99 . . . . 0.39 109.289 179.565 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 61.8 mttm -71.65 122.11 19.99 Favored 'General case' 0 C--O 1.235 0.328 0 N-CA-C 112.368 0.507 . . . . 2.3 112.368 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 30.6 m-20 59.41 68.83 0.76 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.07 -0.968 . . . . 2.07 111.312 171.397 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' TRP . . . . . 0.426 ' HE1' ' HB2' ' A' ' 58' ' ' MET . 68.4 p-90 -109.26 144.18 37.74 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 116.032 -0.531 . . . . 0.43 109.836 177.007 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -111.71 136.31 51.13 Favored 'General case' 0 C--N 1.316 -0.869 0 N-CA-C 109.227 -0.657 . . . . 0.55 109.227 176.893 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.475 HD11 ' HG ' ' A' ' 94' ' ' LEU . 6.2 tt -61.77 129.91 43.24 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-O 121.322 0.582 . . . . 1.71 109.985 178.04 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 91.7 9.92 62.22 Favored Glycine 0 N--CA 1.448 -0.539 0 CA-C-N 115.534 -0.757 . . . . 0.59 111.923 -171.391 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -124.6 166.09 16.72 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 110.138 -0.319 . . . . 2.37 110.138 -178.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.449 ' HA ' ' O ' ' A' ' 90' ' ' ILE . 9.8 pt-20 -131.98 146.85 52.34 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.578 -0.897 . . . . 1.4 108.578 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 17.5 p90 -142.17 156.98 45.37 Favored 'General case' 0 C--N 1.308 -1.211 0 CA-C-N 116.557 -0.292 . . . . 0.57 111.409 -176.797 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -79.1 141.77 37.03 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.349 -0.612 . . . . 1.95 109.349 174.148 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -154.93 158.74 39.71 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 121.135 -0.226 . . . . 1.26 110.668 -174.158 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.512 ' O ' HG22 ' A' ' 67' ' ' THR . 30.9 tt0 -99.06 84.31 3.03 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 108.076 -1.083 . . . . 2.13 108.076 174.708 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.423 ' HA ' ' CG2' ' A' ' 67' ' ' THR . . . -67.73 170.07 8.51 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 114.52 -1.218 . . . . 0.95 113.9 -165.589 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.463 HD22 HG21 ' A' ' 67' ' ' THR . 3.0 mm? -54.43 -36.12 63.68 Favored 'General case' 0 CA--C 1.519 -0.237 0 CA-C-N 115.873 -0.603 . . . . 1.34 110.47 179.698 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -79.06 17.99 0.69 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.554 -0.748 . . . . 1.55 111.918 -175.632 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 17.6 m 61.78 34.34 17.29 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 115.705 -0.679 . . . . 1.21 112.13 169.515 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 30.6 p -129.69 170.45 13.8 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 116.143 -0.48 . . . . 0.93 110.23 177.318 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 7.8 mm100 -109.04 118.68 37.42 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 108.071 -1.085 . . . . 1.88 108.071 176.736 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' HIS . . . . . 0.603 ' HB2' ' O ' ' A' ' 105' ' ' ILE . 19.9 p80 -160.96 176.34 11.51 Favored 'General case' 0 C--N 1.318 -0.795 0 C-N-CA 120.169 -0.612 . . . . 1.04 112.233 179.023 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.545 ' HG3' ' HB ' ' A' ' 105' ' ' ILE . 17.9 ptmt -82.5 152.99 25.82 Favored 'General case' 0 N--CA 1.445 -0.718 0 CA-C-N 115.359 -0.837 . . . . 1.49 109.996 -177.489 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.449 ' O ' ' HA ' ' A' ' 77' ' ' GLU . 65.0 mt -142.98 124.03 11.16 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.951 0 CA-C-N 115.438 -0.801 . . . . 0.54 109.697 -178.765 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 16.9 m -111.21 140.51 45.71 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 116.017 -0.538 . . . . 0.43 110.64 -177.761 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.404 ' HD2' HD11 ' A' ' 100' ' ' LEU . 6.3 m-85 -115.89 140.61 49.07 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 109.167 -0.679 . . . . 0.6 109.167 175.552 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.473 ' HA ' ' CD2' ' A' ' 74' ' ' LEU . 7.8 t0 -166.97 165.87 15.66 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.691 -0.485 . . . . 1.69 109.691 178.875 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.475 ' HG ' HD11 ' A' ' 74' ' ' LEU . 3.5 mt -103.6 127.56 51.01 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.869 0.366 . . . . 1.12 110.151 177.924 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 42.7 tttm -83.26 -47.21 11.76 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 107.279 -1.378 . . . . 3.03 107.279 173.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.436 ' C ' ' H ' ' A' ' 98' ' ' ASN . 12.9 m-20 -135.97 166.12 30.61 Favored Pre-proline 0 C--N 1.319 -0.733 0 N-CA-C 106.653 -1.61 . . . . 1.79 106.653 171.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 14.9 Cg_exo -70.96 6.83 1.54 Allowed 'Trans proline' 0 CA--C 1.528 0.199 0 C-N-CA 122.433 2.089 . . . . 0.98 110.979 176.294 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' ASN . . . . . 0.436 ' H ' ' C ' ' A' ' 96' ' ' ASP . 16.8 m120 -121.87 9.38 10.03 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 114.847 -1.07 . . . . 2.32 110.066 178.418 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 58.5 m -154.31 109.52 3.12 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-O 121.333 0.587 . . . . 0.56 112.159 -178.279 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.485 ' HB3' ' HB2' ' A' ' 118' ' ' TYR . 28.8 tp -87.66 143.65 27.07 Favored 'General case' 0 C--O 1.215 -0.733 0 CA-C-N 115.165 -0.925 . . . . 1.1 108.696 171.802 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 17.1 p -121.53 133.67 55.03 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 118.934 0.788 . . . . 0.41 111.577 179.62 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 62.0 tt0 -112.29 100.15 8.57 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.873 -0.788 . . . . 1.31 108.873 174.915 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 37.0 m -96.13 111.87 23.78 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.185 0.517 . . . . 0.51 110.842 -174.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' HIS . . . . . 0.465 ' HB3' ' CE1' ' A' ' 88' ' ' HIS . 39.4 m170 -93.46 108.42 20.11 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.825 -0.625 . . . . 1.69 109.849 179.841 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.603 ' O ' ' HB2' ' A' ' 88' ' ' HIS . 29.3 mt -110.98 118.69 57.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-O 121.224 0.535 . . . . 0.75 110.947 178.611 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.595 ' HA ' ' CB ' ' A' ' 88' ' ' HIS . 97.5 mttt -64.26 114.92 4.56 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.486 -0.779 . . . . 1.61 111.619 177.414 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.412 HG13 ' H ' ' A' ' 89' ' ' LYS . 14.2 m -58.07 -23.38 21.29 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-N 114.957 -1.019 . . . . 1.32 111.844 178.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -81.71 -42.13 20.3 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.277 -0.42 . . . . 2.5 110.453 178.712 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -146.03 98.08 4.43 Favored Pre-proline 0 C--N 1.322 -0.614 0 CA-C-O 121.456 0.646 . . . . 2.39 110.203 -178.502 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -75.37 17.35 0.64 Allowed 'Trans proline' 0 C--N 1.331 -0.351 0 C-N-CA 123.496 2.797 . . . . 0.9 113.873 -177.011 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 65.5 p -107.95 -17.79 13.96 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.237 -0.585 . . . . 1.47 110.684 175.523 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -99.15 43.57 1.05 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 122.104 0.954 . . . . 1.59 109.033 178.369 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 23.5 m -64.72 -172.99 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 114.207 -1.361 . . . . 1.6 113.778 -178.5 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -165.05 143.0 6.23 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 114.474 -1.239 . . . . 2.78 108.511 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 50.7 m -144.26 131.48 20.7 Favored 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 120.259 -0.576 . . . . 0.53 112.208 -179.453 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 9.3 m-30 -111.09 160.44 16.88 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 106.813 -1.551 . . . . 0.96 106.813 172.224 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 117' ' ' GLU . . . . . 0.47 ' HG2' ' O ' ' A' ' 128' ' ' LYS . 12.7 pt-20 -143.24 137.95 29.29 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 119.187 0.903 . . . . 1.27 109.471 176.41 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 118' ' ' TYR . . . . . 0.485 ' HB2' ' HB3' ' A' ' 100' ' ' LEU . 78.5 m-85 -107.14 114.84 29.16 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.685 -0.689 . . . . 0.6 111.194 -173.14 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 24.4 ptt180 -123.23 150.4 43.49 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.712 -0.676 . . . . 3.41 109.731 177.453 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 120' ' ' ARG . . . . . 0.579 ' HD3' ' O ' ' A' ' 6' ' ' LYS . 8.6 tpt180 -103.64 120.34 40.72 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.834 0.35 . . . . 1.96 110.82 -175.55 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -117.37 93.58 4.23 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.589 -0.523 . . . . 1.08 109.589 176.74 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 66.89 -114.64 6.56 Favored Glycine 0 N--CA 1.447 -0.623 0 C-N-CA 120.844 -0.693 . . . . 0.92 111.658 -176.867 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 123' ' ' ASP . . . . . 0.447 ' HA ' HH21 ' A' ' 120' ' ' ARG . 39.8 m-20 -99.77 3.94 45.11 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.038 0.446 . . . . 2.31 110.472 177.888 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 124' ' ' TYR . . . . . 0.689 ' CD2' ' HB3' ' A' ' 141' ' ' LYS . 80.6 m-85 -107.37 131.4 54.29 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.211 0.529 . . . . 0.67 111.574 -175.593 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.438 HD11 ' HD1' ' A' ' 118' ' ' TYR . 3.2 tm? -86.87 113.6 22.8 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 107.491 -1.299 . . . . 1.03 107.491 173.294 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 54.6 t -111.8 134.44 54.22 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.951 0 N-CA-C 109.707 -0.479 . . . . 0.47 109.707 -171.509 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 127' ' ' MET . . . . . 0.791 ' SD ' ' HE3' ' A' ' 43' ' ' LYS . 94.1 mtp -110.81 153.54 25.24 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-N 116.097 -0.501 . . . . 1.08 111.117 -177.899 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 128' ' ' LYS . . . . . 0.47 ' O ' ' HG2' ' A' ' 117' ' ' GLU . 33.8 tttm -134.3 134.69 42.16 Favored 'General case' 0 C--N 1.309 -1.154 0 CA-C-N 115.145 -0.934 . . . . 2.2 109.119 173.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 129' ' ' MET . . . . . 0.479 ' HG3' ' CG2' ' A' ' 136' ' ' THR . 7.7 ptm -142.24 130.38 22.07 Favored 'General case' 0 C--N 1.313 -0.98 0 N-CA-C 108.413 -0.958 . . . . 1.11 108.413 177.011 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -131.25 125.09 31.95 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.171 0.51 . . . . 1.06 111.912 -172.264 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 131' ' ' TRP . . . . . 0.49 ' CD1' ' HA ' ' A' ' 26' ' ' ARG . 52.4 t-105 -134.84 125.83 27.6 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.499 -0.773 . . . . 0.76 109.644 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 93.7 mttt 52.77 44.34 30.36 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.893 -0.594 . . . . 1.96 111.667 -177.844 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 85.51 -30.77 4.03 Favored Glycine 0 CA--C 1.519 0.312 0 C-N-CA 120.962 -0.637 . . . . 0.53 112.918 179.572 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 23.1 t -75.13 105.64 4.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 121.002 0.429 . . . . 0.43 110.454 -176.893 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -102.25 138.42 39.21 Favored 'General case' 0 N--CA 1.434 -1.231 0 CA-C-N 115.954 -0.567 . . . . 1.14 110.349 177.941 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 136' ' ' THR . . . . . 0.479 ' CG2' ' HG3' ' A' ' 129' ' ' MET . 3.3 t -129.61 142.33 50.76 Favored 'General case' 0 C--N 1.309 -1.19 0 CA-C-N 115.741 -0.663 . . . . 0.4 110.206 178.588 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 137' ' ' SER . . . . . 0.556 ' HA ' ' O ' ' A' ' 127' ' ' MET . 17.8 m -114.98 118.07 32.4 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.771 -0.65 . . . . 0.79 110.104 178.569 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 60.3 mtp180 -94.33 140.2 30.1 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.378 -0.601 . . . . 1.84 109.378 177.094 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 -105.63 110.03 22.2 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.298 0.571 . . . . 0.64 111.489 -174.514 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 140' ' ' TYR . . . . . 0.588 ' CE2' HD23 ' A' ' 13' ' ' LEU . 14.6 m-85 -110.97 154.8 23.62 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.182 -0.917 . . . . 0.6 109.019 174.282 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 141' ' ' LYS . . . . . 0.689 ' HB3' ' CD2' ' A' ' 124' ' ' TYR . 0.0 OUTLIER -134.83 177.14 8.02 Favored 'General case' 0 C--N 1.311 -1.09 0 N-CA-C 107.069 -1.456 . . . . 1.92 107.069 163.582 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 142' ' ' LYS . . . . . 0.447 ' HA ' ' HA ' ' A' ' 11' ' ' PHE . 60.8 tttm -52.07 166.07 0.18 Allowed 'General case' 0 C--N 1.315 -0.924 0 CA-C-O 121.562 0.696 . . . . 2.13 111.328 176.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 143' ' ' GLN . . . . . 0.564 ' OE1' ' HB3' ' A' ' 12' ' ' LYS . 5.6 mm100 . . . . . 0 C--N 1.316 -0.86 0 N-CA-C 108.984 -0.747 . . . . 1.46 108.984 159.926 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 2.6 m . . . . . 0 N--CA 1.444 -0.729 0 N-CA-C 110.072 -0.344 . . . . 0.99 110.072 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.575 HD23 ' HD2' ' A' ' 4' ' ' PRO . 0.2 OUTLIER -59.38 120.0 44.37 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 115.783 -0.644 . . . . 0.59 110.579 -178.928 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 4' ' ' PRO . . . . . 0.575 ' HD2' HD23 ' A' ' 3' ' ' LEU . 31.6 Cg_exo -57.81 130.58 39.2 Favored 'Trans proline' 0 N--CA 1.462 -0.333 0 C-N-CA 122.532 2.155 . . . . 0.61 110.795 174.065 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' ASP . . . . . 0.476 ' HA ' HD12 ' A' ' 8' ' ' LEU . 3.2 m-20 -59.8 -20.24 55.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.003 -0.544 . . . . 2.19 112.276 -175.075 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 57.7 mtmt -70.9 -7.3 44.8 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 111.998 0.37 . . . . 2.53 111.998 177.396 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 31.4 m-85 -93.38 -6.58 46.87 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.623 -0.51 . . . . 0.6 109.623 172.034 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.52 HD23 ' HB3' ' A' ' 45' ' ' PHE . 87.6 mt -100.8 156.97 17.06 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.462 0.649 . . . . 0.46 111.514 -171.534 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 131.31 -147.11 18.41 Favored Glycine 0 N--CA 1.443 -0.844 0 CA-C-N 114.813 -1.085 . . . . 0.52 111.34 -179.546 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.586 HG23 ' HB2' ' A' ' 143' ' ' GLN . 12.9 t -153.63 141.59 20.23 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-O 121.062 0.458 . . . . 1.05 110.096 177.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.677 ' HA ' ' HA ' ' A' ' 142' ' ' LYS . 64.8 m-85 -132.12 135.41 46.38 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 115.865 -0.607 . . . . 0.47 111.895 -175.767 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.479 ' N ' ' O ' ' A' ' 141' ' ' LYS . 38.1 mtmt -75.3 -161.17 0.14 Allowed 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 109.082 -0.71 . . . . 2.19 109.082 163.926 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.512 HD12 ' HB ' ' A' ' 41' ' ' VAL . 3.8 tt -135.26 108.59 7.81 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.139 -0.689 . . . . 1.14 109.139 -176.352 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -83.66 -48.33 10.29 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.459 -0.337 . . . . 2.08 111.195 -178.297 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.41 HH11 ' HD3' ' A' ' 15' ' ' ARG . 1.7 ptm180 -163.75 -174.55 3.72 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.282 0.563 . . . . 3.36 111.633 -177.324 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.548 ' HB3' ' HE ' ' A' ' 138' ' ' ARG . 2.8 p30 -156.28 172.33 18.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.431 -0.804 . . . . 1.19 109.594 176.686 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -143.49 114.28 7.66 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.645 -0.252 . . . . 2.66 110.781 -178.205 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 48.9 t30 74.18 22.6 2.26 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-O 121.644 0.735 . . . . 0.76 111.118 175.51 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 68.5 t80 -73.74 -37.24 65.14 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.475 -0.784 . . . . 0.49 110.919 -174.9 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -59.47 -48.0 83.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.422 -0.354 . . . . 2.04 111.069 177.509 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.424 ' HA ' ' HD3' ' A' ' 24' ' ' LYS . 40.3 mm-40 -56.51 -40.03 74.3 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 116.225 -0.443 . . . . 1.79 111.006 176.528 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 89.1 t80 -57.6 -38.24 74.56 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.163 -0.471 . . . . 0.57 110.976 176.473 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 95.4 mt -66.35 -38.97 88.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.947 0.403 . . . . 0.37 110.705 -179.26 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.424 ' HD3' ' HA ' ' A' ' 21' ' ' GLU . 55.8 mtpt -62.41 -44.96 95.2 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.682 -0.69 . . . . 1.88 109.765 177.164 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.74 -41.12 90.23 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.248 -0.887 . . . . 0.44 110.899 176.422 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 13.5 mmm180 -66.18 -15.12 62.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.941 -0.572 . . . . 1.29 111.738 -178.906 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 94.85 18.29 35.18 Favored Glycine 0 N--CA 1.447 -0.598 0 C-N-CA 120.568 -0.825 . . . . 0.62 112.372 179.174 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 40.3 m-85 -86.91 127.47 35.06 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.853 0.359 . . . . 0.64 110.415 178.215 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.501 ' O ' ' HG3' ' A' ' 33' ' ' ARG . . . -71.88 172.9 45.68 Favored Glycine 0 N--CA 1.445 -0.758 0 CA-C-N 115.713 -0.676 . . . . 1.54 112.414 179.331 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.575 ' O ' ' HG2' ' A' ' 34' ' ' GLN . 86.3 t90 -51.0 -50.07 59.22 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 122.765 0.426 . . . . 1.18 111.757 -176.727 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 1.1 mm -55.6 -53.1 40.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 N-CA-C 112.137 0.421 . . . . 2.16 112.137 -179.082 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.535 ' O ' HG13 ' A' ' 36' ' ' ILE . 45.6 mmm -56.92 -41.46 78.21 Favored 'General case' 0 CA--C 1.51 -0.578 0 CA-C-N 116.446 -0.343 . . . . 0.97 111.134 179.013 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.572 ' O ' ' HG3' ' A' ' 37' ' ' LYS . 75.7 mtm-85 -64.23 -31.03 72.07 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 120.922 -0.311 . . . . 1.87 110.513 179.632 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.575 ' HG2' ' O ' ' A' ' 30' ' ' TRP . 27.4 mm-40 -67.15 -24.61 65.91 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.246 0.546 . . . . 1.97 109.999 178.838 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 72.1 t -86.12 -65.72 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 115.594 -0.73 . . . . 0.68 110.536 174.647 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.535 HG13 ' O ' ' A' ' 32' ' ' MET . 57.3 mt -47.05 -55.0 2.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 N-CA-C 114.673 1.36 . . . . 0.51 114.673 -173.294 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.572 ' HG3' ' O ' ' A' ' 33' ' ' ARG . 0.0 OUTLIER -88.86 18.02 5.16 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 119.628 -0.829 . . . . 0.97 112.124 -174.181 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.522 ' C ' HD13 ' A' ' 38' ' ' LEU . 2.3 tm? -119.68 -41.09 2.71 Favored 'General case' 0 N--CA 1.442 -0.835 0 N-CA-C 109.345 -0.613 . . . . 2.08 109.345 178.343 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -54.34 141.18 31.07 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 115.923 -0.58 . . . . 1.03 112.236 -179.343 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -78.18 141.23 24.79 Favored Glycine 0 N--CA 1.449 -0.472 0 CA-C-N 115.728 -0.669 . . . . 0.84 111.87 176.772 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.512 ' HB ' HD12 ' A' ' 13' ' ' LEU . 37.7 t -126.66 128.91 71.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 120.906 0.384 . . . . 1.3 110.757 -176.277 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.438 ' HB ' ' HB2' ' A' ' 61' ' ' LEU . 19.3 m -114.91 113.66 24.46 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.749 -0.66 . . . . 0.45 109.659 175.838 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.464 ' HG3' ' HE2' ' A' ' 58' ' ' MET . 17.2 ttmt -107.49 137.36 45.66 Favored 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 121.068 -0.253 . . . . 0.79 110.571 -174.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.562 ' HG2' ' OG1' ' A' ' 10' ' ' THR . 27.0 mtpp -134.0 143.14 47.95 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 116.571 -0.286 . . . . 1.96 111.629 -173.839 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.522 ' CE2' ' HG3' ' A' ' 58' ' ' MET . 44.6 m-85 -130.85 129.11 41.91 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.844 -0.616 . . . . 0.54 109.539 171.676 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.446 ' HG3' ' HB3' ' A' ' 57' ' ' ASP . 2.5 ptp180 -152.59 176.07 12.1 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 120.786 0.327 . . . . 3.17 110.694 178.788 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 15.1 m120 -57.89 162.56 3.18 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.744 -0.662 . . . . 1.85 109.543 170.661 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.469 ' HB1' ' OD1' ' A' ' 71' ' ' ASP . . . -60.04 161.76 6.42 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.947 0.404 . . . . 0.87 111.842 -176.281 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -45.89 -63.12 1.05 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.142 -0.935 . . . . 1.48 112.716 -177.504 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 32.0 t -69.96 -33.5 72.19 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.235 0.54 . . . . 2.37 109.58 179.763 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 114.13 32.23 2.06 Favored Glycine 0 N--CA 1.45 -0.385 0 CA-C-N 115.602 -0.726 . . . . 1.91 113.305 171.837 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 5.3 mptp? -78.95 136.05 58.42 Favored Pre-proline 0 C--N 1.324 -0.526 0 CA-C-N 116.755 0.278 . . . . 3.17 110.35 177.932 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 33.2 Cg_endo -65.92 157.01 61.44 Favored 'Trans proline' 0 CA--C 1.528 0.208 0 C-N-CA 122.896 2.397 . . . . 1.84 111.994 177.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 59.39 13.66 3.31 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-O 121.734 0.778 . . . . 2.44 110.586 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 95.4 mtt180 -135.86 130.53 34.04 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 114.326 -1.306 . . . . 4.1 107.728 172.643 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.574 ' CE1' ' HB2' ' A' ' 3' ' ' LEU . 84.2 m-85 -129.07 170.61 13.29 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-O 121.349 0.595 . . . . 0.97 112.313 -173.695 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.446 ' HB3' ' HG3' ' A' ' 46' ' ' ARG . 8.6 t70 -126.65 141.76 51.75 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 114.912 -1.04 . . . . 1.1 109.084 -179.425 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.538 ' HG2' ' O ' ' A' ' 44' ' ' LYS . 2.0 tmt? -151.11 149.86 30.0 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 109.151 -0.685 . . . . 0.98 109.151 -177.595 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -152.73 156.0 38.31 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.166 0.508 . . . . 1.11 111.89 -177.362 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -122.75 85.51 2.43 Favored 'General case' 0 CA--C 1.519 -0.216 0 N-CA-C 108.053 -1.092 . . . . 1.17 108.053 -178.705 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.502 HD23 ' HB3' ' A' ' 66' ' ' ASP . 87.6 mt -77.81 132.0 37.84 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 120.584 0.231 . . . . 1.67 110.601 -177.489 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 17.4 p -135.22 -153.93 0.55 Allowed 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.882 -0.414 . . . . 0.45 109.882 -177.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 62.0 p -106.16 -28.05 10.7 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.169 0.509 . . . . 0.54 110.676 178.132 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 43.6 mmtm -102.07 -31.74 10.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.73 -0.668 . . . . 2.24 112.293 -170.435 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.58 ' O ' HD12 ' A' ' 83' ' ' LEU . 55.1 tptt -165.29 133.11 3.08 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 109.448 -0.575 . . . . 1.82 109.448 -175.543 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.502 ' HB3' HD23 ' A' ' 61' ' ' LEU . 10.7 m-20 -113.98 125.23 53.79 Favored 'General case' 0 C--N 1.318 -0.762 0 C-N-CA 120.52 -0.472 . . . . 2.12 110.877 -177.601 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.62 HG23 HD13 ' A' ' 83' ' ' LEU . 3.3 p -87.86 149.57 24.04 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 109.386 -0.598 . . . . 0.56 109.386 175.864 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.47 ' CD2' ' HB3' ' A' ' 70' ' ' LYS . 4.4 t-160 -137.16 88.64 2.37 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-O 121.263 0.554 . . . . 1.95 109.625 175.544 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.479 ' HD2' ' SD ' ' A' ' 58' ' ' MET . 7.2 m-70 -77.73 83.51 4.09 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 108.4 -0.963 . . . . 0.39 108.4 176.698 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.47 ' HB3' ' CD2' ' A' ' 68' ' ' HIS . 1.5 ptmm? -98.11 134.52 41.07 Favored 'General case' 0 C--N 1.314 -0.943 0 CA-C-N 116.04 -0.527 . . . . 2.3 112.252 -175.206 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.469 ' OD1' ' HB1' ' A' ' 48' ' ' ALA . 20.1 m-20 62.68 62.66 1.07 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 114.848 -1.069 . . . . 2.07 111.432 175.159 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 66.3 p-90 -119.45 159.87 23.44 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.169 0.509 . . . . 0.43 110.59 177.009 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.534 ' O ' ' HB3' ' A' ' 76' ' ' GLU . . . -127.76 154.07 45.8 Favored 'General case' 0 C--N 1.313 -0.995 0 N-CA-C 109.151 -0.685 . . . . 0.55 109.151 171.35 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.672 HD13 ' H ' ' A' ' 74' ' ' LEU . 0.0 OUTLIER -63.55 143.85 57.48 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.561 0.696 . . . . 1.71 110.396 174.345 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 81.08 2.05 90.27 Favored Glycine 0 C--N 1.317 -0.506 0 CA-C-N 115.426 -0.806 . . . . 0.59 111.687 -171.605 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.534 ' HB3' ' O ' ' A' ' 73' ' ' ALA . 42.1 tt0 -113.61 158.42 20.84 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.737 0.303 . . . . 2.37 110.215 -177.173 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.4 ' HA ' ' HA ' ' A' ' 91' ' ' THR . 3.4 pt-20 -140.76 145.38 36.31 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 108.907 -0.775 . . . . 1.4 108.907 -176.45 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.471 ' CZ ' ' HB3' ' A' ' 69' ' ' HIS . 19.6 p90 -144.55 163.6 33.4 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 116.641 -0.254 . . . . 0.57 111.372 -174.592 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -82.02 143.95 31.21 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 108.536 -0.913 . . . . 1.95 108.536 171.625 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.448 ' HB3' HD12 ' A' ' 90' ' ' ILE . 11.1 t70 -146.41 159.78 42.94 Favored 'General case' 0 C--O 1.248 0.985 0 N-CA-C 112.544 0.572 . . . . 1.26 112.544 -173.02 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 41.2 mm-40 -90.52 75.61 6.7 Favored 'General case' 0 C--N 1.343 0.314 0 CA-C-N 114.68 -1.145 . . . . 2.13 109.317 179.402 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.07 148.54 35.39 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-N 115.613 -0.721 . . . . 0.95 112.877 -169.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.67 HD22 ' H ' ' A' ' 83' ' ' LEU . 1.5 mm? -52.51 -29.12 23.52 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 115.304 -0.862 . . . . 1.34 110.244 177.263 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -72.49 5.78 2.79 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 114.497 -1.229 . . . . 1.55 111.705 -175.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 40.3 m 68.52 22.06 7.86 Favored 'General case' 0 N--CA 1.464 0.243 0 C-N-CA 123.038 0.535 . . . . 1.21 110.474 179.308 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 3.0 p -119.7 162.13 19.54 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.761 -0.654 . . . . 0.93 111.274 -178.497 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 14.7 mm-40 -109.6 109.63 20.45 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 108.938 -0.764 . . . . 1.88 108.938 -179.616 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' HIS . . . . . 0.533 ' CB ' ' HA ' ' A' ' 106' ' ' LYS . 25.7 p80 -154.49 176.97 11.71 Favored 'General case' 0 C--N 1.318 -0.784 0 C-N-CA 119.007 -1.077 . . . . 1.04 112.599 -177.704 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 26.6 ttpp -81.54 148.17 29.28 Favored 'General case' 0 N--CA 1.444 -0.757 0 CA-C-N 114.772 -1.104 . . . . 1.49 110.639 -174.415 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.448 HD12 ' HB3' ' A' ' 80' ' ' ASP . 56.0 mt -142.0 129.44 20.53 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.835 0 CA-C-N 115.018 -0.992 . . . . 0.54 109.542 177.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.4 ' HA ' ' HA ' ' A' ' 77' ' ' GLU . 20.9 m -114.49 140.32 48.83 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 116.125 -0.488 . . . . 0.43 110.788 -177.469 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.493 ' CD2' HD21 ' A' ' 100' ' ' LEU . 10.2 m-85 -114.61 131.06 56.83 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 108.802 -0.814 . . . . 0.6 108.802 173.8 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -148.48 136.96 21.36 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 120.898 0.38 . . . . 1.69 110.854 -178.388 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -89.21 108.66 19.74 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 108.905 -0.776 . . . . 1.12 108.905 175.67 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 48.9 tptt -86.0 -54.07 4.71 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.158 -0.682 . . . . 3.03 109.158 -173.534 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.409 ' C ' ' H ' ' A' ' 98' ' ' ASN . 13.2 m-20 -121.68 163.86 28.39 Favored Pre-proline 0 C--N 1.319 -0.737 0 N-CA-C 107.995 -1.113 . . . . 1.79 107.995 174.778 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_exo -67.42 5.33 0.96 Allowed 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 122.981 2.454 . . . . 0.98 112.374 -177.095 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' ASN . . . . . 0.409 ' H ' ' C ' ' A' ' 96' ' ' ASP . 9.4 p30 -144.86 19.86 1.63 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.498 -0.774 . . . . 2.32 110.07 179.046 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 24.7 m -145.85 109.82 4.89 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-O 120.995 0.426 . . . . 0.56 111.673 -178.592 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.499 HD23 ' N ' ' A' ' 101' ' ' THR . 7.1 tt -98.54 140.89 32.1 Favored 'General case' 0 C--O 1.217 -0.61 0 N-CA-C 108.449 -0.945 . . . . 1.1 108.449 175.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.499 ' N ' HD23 ' A' ' 100' ' ' LEU . 12.0 p -118.79 132.91 56.14 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 118.777 0.717 . . . . 0.41 111.397 179.342 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 58.6 tt0 -113.66 105.77 13.72 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.681 -0.69 . . . . 1.31 109.48 177.082 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 12.8 m -102.63 114.41 28.61 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.035 0.445 . . . . 0.51 111.281 -175.089 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' HIS . . . . . 0.52 ' HB2' ' HB3' ' A' ' 114' ' ' GLU . 11.9 m170 -95.63 119.33 33.94 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.423 -0.584 . . . . 1.69 109.423 177.721 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.513 ' O ' ' HB2' ' A' ' 88' ' ' HIS . 42.2 mt -120.39 119.2 59.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-O 121.201 0.524 . . . . 0.75 111.046 174.424 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.562 ' HB3' ' OD2' ' A' ' 108' ' ' ASP . 94.0 mttt -67.2 108.44 2.7 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.202 -0.908 . . . . 1.61 111.23 177.623 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 28.6 m -59.53 -21.53 21.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.001 -1.0 . . . . 1.32 112.661 -178.408 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 108' ' ' ASP . . . . . 0.562 ' OD2' ' HB3' ' A' ' 106' ' ' LYS . 17.6 p-10 -80.43 -40.59 26.08 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.829 0.347 . . . . 2.5 110.45 -179.533 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -150.21 95.05 3.64 Favored Pre-proline 0 C--N 1.325 -0.489 0 N-CA-C 109.289 -0.634 . . . . 2.39 109.289 177.637 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_endo -72.55 11.21 0.84 Allowed 'Trans proline' 0 C--O 1.233 0.261 0 C-N-CA 123.412 2.742 . . . . 0.9 112.439 -176.914 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 34.5 p -75.03 -24.82 58.37 Favored 'General case' 0 N--CA 1.447 -0.6 0 N-CA-C 109.003 -0.739 . . . . 1.47 109.003 173.063 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -112.63 119.2 37.29 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 115.038 -0.983 . . . . 1.59 109.512 174.627 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.442 ' CG1' HG12 ' A' ' 105' ' ' ILE . 32.9 m -131.13 -166.78 0.49 Allowed 'Isoleucine or valine' 0 N--CA 1.433 -1.306 0 N-CA-C 108.269 -1.011 . . . . 1.6 108.269 178.268 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.52 ' HB3' ' HB2' ' A' ' 104' ' ' HIS . 43.6 tt0 -173.67 123.07 0.35 Allowed 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 118.149 0.431 . . . . 2.78 110.259 -172.359 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 4.2 m -127.67 132.82 49.64 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.207 0.527 . . . . 0.53 112.298 -173.384 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 8.3 m-85 -106.08 165.87 10.91 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 107.427 -1.323 . . . . 0.96 107.427 168.448 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 117' ' ' GLU . . . . . 0.523 ' HG2' ' O ' ' A' ' 128' ' ' LYS . 12.8 pt-20 -146.53 124.9 12.3 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 107.865 -1.161 . . . . 1.27 107.865 167.431 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 118' ' ' TYR . . . . . 0.497 ' HB2' ' HB3' ' A' ' 100' ' ' LEU . 15.5 m-85 -93.91 112.56 24.43 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.304 -0.862 . . . . 0.6 111.148 -170.837 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 59.3 mtt180 -120.95 142.34 49.84 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 108.639 -0.875 . . . . 3.41 108.639 174.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.99 146.69 25.25 Favored 'General case' 0 C--N 1.32 -0.695 0 C-N-CA 120.347 -0.541 . . . . 1.96 111.046 -177.435 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -136.97 68.09 1.43 Allowed 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.432 -0.804 . . . . 1.08 108.925 173.364 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 77.0 -110.49 3.03 Favored Glycine 0 N--CA 1.447 -0.594 0 CA-C-N 115.412 -0.813 . . . . 0.92 112.261 -178.667 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -93.12 8.76 38.8 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.158 0.504 . . . . 2.31 110.319 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 124' ' ' TYR . . . . . 0.572 ' CE2' ' HE3' ' A' ' 141' ' ' LYS . 97.8 m-85 -116.24 126.65 53.89 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.518 -0.765 . . . . 0.67 110.946 -179.428 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -88.97 120.88 30.78 Favored 'General case' 0 C--N 1.316 -0.857 0 N-CA-C 106.699 -1.593 . . . . 1.03 106.699 166.429 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 13.8 t -102.02 106.21 19.36 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.211 0 CA-C-O 121.454 0.645 . . . . 0.47 109.405 -173.089 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 127' ' ' MET . . . . . . . . . . . . . 6.6 ttm -81.1 120.36 24.74 Favored 'General case' 0 C--N 1.313 -0.983 0 CA-C-N 114.698 -1.137 . . . . 1.08 109.791 178.657 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 128' ' ' LYS . . . . . 0.523 ' O ' ' HG2' ' A' ' 117' ' ' GLU . 23.3 tptm -116.46 116.35 27.5 Favored 'General case' 0 C--N 1.314 -0.971 0 N-CA-C 108.831 -0.803 . . . . 2.2 108.831 179.568 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 129' ' ' MET . . . . . 0.41 ' CG ' HG23 ' A' ' 136' ' ' THR . 4.6 ptm -135.85 146.83 47.88 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-N 115.622 -0.717 . . . . 1.11 109.341 -176.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 10.4 p -147.46 137.67 23.12 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.067 0.46 . . . . 1.06 111.818 -174.483 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 131' ' ' TRP . . . . . 0.472 ' CD1' ' HG3' ' A' ' 132' ' ' LYS . 43.0 t-105 -145.27 131.06 19.04 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.486 -0.779 . . . . 0.76 109.778 176.312 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 132' ' ' LYS . . . . . 0.472 ' HG3' ' CD1' ' A' ' 131' ' ' TRP . 68.2 mttm 52.31 41.75 30.63 Favored 'General case' 0 C--N 1.329 -0.326 0 O-C-N 123.624 0.578 . . . . 1.96 111.138 -177.514 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 80.78 -23.12 4.45 Favored Glycine 0 CA--C 1.521 0.448 0 C-N-CA 120.963 -0.637 . . . . 0.53 112.982 179.807 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 13.4 t -69.69 102.96 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 N-CA-C 109.696 -0.483 . . . . 0.43 109.696 -179.159 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 1.9 m -99.8 139.47 35.43 Favored 'General case' 0 N--CA 1.433 -1.31 0 CA-C-N 115.85 -0.614 . . . . 1.14 110.517 -178.811 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 136' ' ' THR . . . . . 0.41 HG23 ' CG ' ' A' ' 129' ' ' MET . 3.3 t -138.07 140.22 39.92 Favored 'General case' 0 C--N 1.309 -1.168 0 CA-C-N 115.4 -0.818 . . . . 0.4 110.747 -179.325 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 17.0 m -116.61 109.24 16.96 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.59 -0.732 . . . . 0.79 109.649 176.883 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 138' ' ' ARG . . . . . 0.548 ' HE ' ' HB3' ' A' ' 16' ' ' ASP . 20.7 ttm180 -99.51 125.64 45.31 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.153 -0.476 . . . . 1.84 110.1 178.79 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 94.9 m-85 -97.29 110.5 23.04 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.238 0.542 . . . . 0.64 111.085 -173.375 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 52.3 m-85 -94.01 119.36 32.78 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.345 -0.843 . . . . 0.6 109.688 178.228 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 141' ' ' LYS . . . . . 0.572 ' HE3' ' CE2' ' A' ' 124' ' ' TYR . 1.5 tppp? -102.55 127.23 49.71 Favored 'General case' 0 C--O 1.207 -1.137 0 N-CA-C 108.193 -1.039 . . . . 1.92 108.193 -175.415 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 142' ' ' LYS . . . . . 0.677 ' HA ' ' HA ' ' A' ' 11' ' ' PHE . 84.2 tttt -38.63 158.54 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 124.645 1.178 . . . . 2.13 113.906 -172.788 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 143' ' ' GLN . . . . . 0.586 ' HB2' HG23 ' A' ' 10' ' ' THR . 7.3 mt-30 . . . . . 0 C--O 1.247 0.946 0 O-C-N 120.9 -1.125 . . . . 1.46 110.598 164.145 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 38.7 m . . . . . 0 N--CA 1.446 -0.634 0 N-CA-C 108.186 -1.042 . . . . 0.99 108.186 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.614 HD23 ' HD2' ' A' ' 4' ' ' PRO . 0.2 OUTLIER -59.43 116.48 16.52 Favored Pre-proline 0 C--N 1.327 -0.377 0 O-C-N 123.335 0.397 . . . . 0.59 110.78 -175.382 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 4' ' ' PRO . . . . . 0.614 ' HD2' HD23 ' A' ' 3' ' ' LEU . 52.5 Cg_exo -54.29 126.26 21.58 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.793 2.329 . . . . 0.61 111.01 175.511 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -56.68 -22.53 35.42 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.879 -0.601 . . . . 2.19 112.529 -174.198 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 14.9 mmmm -63.8 -21.55 66.48 Favored 'General case' 0 N--CA 1.463 0.185 0 N-CA-C 111.854 0.316 . . . . 2.53 111.854 177.01 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -92.19 0.43 57.46 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 121.171 -0.212 . . . . 0.6 110.901 -178.427 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.556 HD23 ' HB3' ' A' ' 45' ' ' PHE . 96.2 mt -96.25 152.28 18.72 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.308 0.575 . . . . 0.46 111.745 -174.534 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 125.18 168.11 12.69 Favored Glycine 0 N--CA 1.444 -0.79 0 CA-C-N 115.222 -0.899 . . . . 0.52 112.027 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.531 HG23 ' HG2' ' A' ' 44' ' ' LYS . 93.2 m -96.62 120.41 36.89 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.572 -0.529 . . . . 1.05 109.572 175.261 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.463 ' HA ' ' HA ' ' A' ' 142' ' ' LYS . 51.0 m-85 -112.81 129.89 56.28 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.226 -0.443 . . . . 0.47 111.193 -174.347 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.718 ' HB3' ' NE2' ' A' ' 143' ' ' GLN . 21.9 ptmt -95.07 130.95 41.56 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 120.181 -0.608 . . . . 2.19 111.021 170.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.45 HD23 ' N ' ' A' ' 14' ' ' GLU . 4.9 tt -62.45 129.15 39.36 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-N 116.045 -0.525 . . . . 1.14 110.665 177.935 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.45 ' N ' HD23 ' A' ' 13' ' ' LEU . 32.6 tt0 -102.85 -52.47 3.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.148 -0.478 . . . . 2.08 110.786 176.543 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 24.7 ptt-85 -153.59 175.24 13.44 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.204 -0.453 . . . . 3.36 110.299 -172.626 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -166.02 175.96 8.12 Favored 'General case' 0 C--N 1.329 -0.308 0 O-C-N 122.965 0.166 . . . . 1.19 110.877 -179.388 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -149.05 132.34 16.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.182 -0.463 . . . . 2.66 111.168 -176.376 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 63.3 t30 71.21 23.5 4.06 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-O 121.59 0.71 . . . . 0.76 111.394 171.667 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 52.0 t80 -73.15 -40.21 65.06 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.788 -0.642 . . . . 0.49 111.175 -175.56 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.58 ' OD1' ' HE3' ' A' ' 24' ' ' LYS . 20.6 t70 -59.64 -48.85 80.05 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.849 0.357 . . . . 2.04 110.835 179.73 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 52.0 mm-40 -58.12 -38.09 75.84 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 115.986 -0.552 . . . . 1.79 110.935 178.752 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 77.4 t80 -59.24 -41.04 87.8 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 120.878 0.371 . . . . 0.57 110.655 174.816 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 85.2 mt -63.97 -40.23 95.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.253 -0.431 . . . . 0.37 110.355 -178.355 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.58 ' HE3' ' OD1' ' A' ' 20' ' ' ASP . 97.0 mttt -62.78 -46.22 89.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.025 -0.534 . . . . 1.88 110.438 178.241 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.03 -40.44 85.03 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.305 -0.861 . . . . 0.44 111.094 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 13.8 mmm180 -73.74 -8.04 54.45 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.916 -0.584 . . . . 1.29 111.773 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 96.68 12.82 49.39 Favored Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 120.475 -0.869 . . . . 0.62 112.782 175.58 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 63.3 m-85 -81.31 125.37 30.27 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.927 0.394 . . . . 0.64 110.605 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -75.23 -178.92 43.1 Favored Glycine 0 N--CA 1.447 -0.581 0 CA-C-N 115.565 -0.743 . . . . 1.54 112.982 -178.619 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.549 ' O ' ' HG2' ' A' ' 34' ' ' GLN . 84.1 t90 -53.59 -49.11 68.46 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 123.14 0.576 . . . . 1.18 111.52 -176.592 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.412 HD13 ' HA ' ' A' ' 31' ' ' ILE . 1.3 mm -56.06 -50.92 67.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 120.822 0.344 . . . . 2.16 111.37 179.037 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.531 ' O ' HG13 ' A' ' 36' ' ' ILE . 0.1 OUTLIER -57.07 -43.5 82.17 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.936 -0.575 . . . . 0.97 110.345 177.66 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 48.4 mtm105 -64.48 -23.19 67.19 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.541 -0.299 . . . . 1.87 111.234 178.654 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.549 ' HG2' ' O ' ' A' ' 30' ' ' TRP . 30.3 mm-40 -78.09 -31.26 50.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.777 0.322 . . . . 1.97 110.631 177.007 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.446 ' CG1' ' HG3' ' A' ' 64' ' ' LYS . 95.8 t -88.6 -65.14 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.674 0 CA-C-O 120.838 0.352 . . . . 0.68 111.158 -178.517 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.531 HG13 ' O ' ' A' ' 32' ' ' MET . 28.5 mt -47.11 -46.67 8.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 C-N-CA 124.007 0.923 . . . . 0.51 113.191 -177.545 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -75.19 -18.44 60.16 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.978 0.418 . . . . 0.97 111.66 -173.107 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.545 HD23 ' O ' ' A' ' 34' ' ' GLN . 4.0 mm? -104.66 1.77 29.83 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.901 0.382 . . . . 2.08 111.141 -176.596 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -84.09 126.67 33.31 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.156 -0.475 . . . . 1.03 110.844 179.58 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.402 ' O ' ' HA ' ' A' ' 62' ' ' THR . . . -75.57 142.65 29.27 Favored Glycine 0 N--CA 1.448 -0.549 0 N-CA-C 110.965 -0.854 . . . . 0.84 110.965 173.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 15.4 t -128.79 133.01 67.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-O 121.216 0.532 . . . . 1.3 111.73 -170.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 27.2 m -117.06 114.34 23.6 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.446 -0.797 . . . . 0.45 110.132 174.555 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.447 ' HE3' ' ND2' ' A' ' 60' ' ' ASN . 44.1 mmtm -90.28 135.22 33.81 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.566 -0.531 . . . . 0.79 109.566 178.251 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.531 ' HG2' HG23 ' A' ' 10' ' ' THR . 56.6 mtpt -129.29 102.27 6.36 Favored 'General case' 0 C--N 1.322 -0.622 0 C-N-CA 121.13 -0.228 . . . . 1.96 111.344 -177.06 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.556 ' HB3' HD23 ' A' ' 8' ' ' LEU . 59.0 m-85 -100.39 121.74 42.01 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.521 -0.548 . . . . 0.54 109.521 174.712 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.458 ' HG3' ' HB3' ' A' ' 57' ' ' ASP . 14.0 ptm180 -149.98 159.89 44.04 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 116.289 -0.414 . . . . 3.17 110.345 -179.192 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ASN . . . . . 0.517 ' HA ' ' CD2' ' A' ' 56' ' ' TYR . 13.0 p30 -68.59 153.46 43.73 Favored 'General case' 0 C--N 1.316 -0.861 0 N-CA-C 108.682 -0.859 . . . . 1.85 108.682 171.596 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -48.99 130.79 18.75 Favored 'General case' 0 CA--C 1.518 -0.274 0 CA-C-O 121.625 0.726 . . . . 0.87 111.501 -173.066 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.63 -34.79 77.76 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 114.412 -1.267 . . . . 1.48 111.792 -170.316 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 17.0 m -76.62 17.54 0.39 Allowed 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 112.262 0.467 . . . . 2.37 112.262 179.269 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 68.68 23.08 75.56 Favored Glycine 0 CA--C 1.517 0.17 0 C-N-CA 120.997 -0.62 . . . . 1.91 112.798 177.711 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.408 ' HB2' ' HE3' ' A' ' 52' ' ' LYS . 38.5 ttmt -86.21 116.53 66.15 Favored Pre-proline 0 N--CA 1.447 -0.613 0 N-CA-C 110.467 -0.197 . . . . 3.17 110.467 -177.277 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_exo -60.96 147.06 96.75 Favored 'Trans proline' 0 C--O 1.237 0.429 0 C-N-CA 123.123 2.549 . . . . 1.84 113.467 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 20.5 t70 80.95 -54.97 0.31 Allowed 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 114.548 -1.205 . . . . 2.44 110.014 174.339 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 9.9 mpt_? -63.64 143.4 57.86 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.259 -0.882 . . . . 4.1 111.632 174.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.517 ' CD2' ' HA ' ' A' ' 47' ' ' ASN . 73.5 m-85 -119.66 176.35 5.42 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.667 -0.697 . . . . 0.97 110.958 179.067 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.458 ' HB3' ' HG3' ' A' ' 46' ' ' ARG . 15.5 t70 -133.31 134.28 43.65 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 108.361 -0.977 . . . . 1.1 108.361 178.401 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.431 ' HA ' ' O ' ' A' ' 44' ' ' LYS . 12.1 tpt -137.19 129.77 30.05 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.609 0.242 . . . . 0.98 111.382 -172.694 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.437 ' HG2' ' HA ' ' A' ' 68' ' ' HIS . 41.3 mt-10 -124.85 142.68 51.27 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.36 0.6 . . . . 1.11 111.651 178.858 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.447 ' ND2' ' HE3' ' A' ' 43' ' ' LYS . 0.9 OUTLIER -122.03 72.06 1.02 Allowed 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.305 -0.998 . . . . 1.17 108.305 176.601 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 93.8 mt -74.89 141.66 44.14 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.016 -0.538 . . . . 1.67 111.11 -173.79 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.402 ' HA ' ' O ' ' A' ' 40' ' ' GLY . 43.0 p -139.69 -158.38 0.85 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.351 -0.386 . . . . 0.45 110.28 -178.215 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 65.0 p -96.5 -30.86 13.1 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.163 0.506 . . . . 0.54 111.254 -178.67 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.446 ' HG3' ' CG1' ' A' ' 35' ' ' VAL . 74.4 mmtt -110.01 -21.95 12.06 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.051 -0.522 . . . . 2.24 111.04 -175.187 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.516 ' HG3' ' O ' ' A' ' 83' ' ' LEU . 0.3 OUTLIER -135.77 -155.54 0.64 Allowed 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.094 -0.503 . . . . 1.82 110.795 -173.064 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 165.85 132.95 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.121 -0.945 . . . . 2.12 109.655 -168.83 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 37.8 p -126.5 143.63 51.13 Favored 'General case' 0 C--N 1.316 -0.888 0 N-CA-C 108.974 -0.751 . . . . 0.56 108.974 171.818 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.437 ' HA ' ' HG2' ' A' ' 59' ' ' GLU . 23.4 t-160 -136.88 87.71 2.31 Favored 'General case' 0 C--N 1.316 -0.881 0 N-CA-C 109.555 -0.535 . . . . 1.95 109.555 179.044 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.44 ' HD1' ' CG ' ' A' ' 80' ' ' ASP . 22.2 m-70 -75.26 80.16 2.37 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.259 -0.882 . . . . 0.39 109.928 -178.524 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.408 ' HA ' ' OD2' ' A' ' 57' ' ' ASP . 26.1 mtmt -70.87 122.37 19.81 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.829 0.677 . . . . 2.3 112.829 177.601 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 65.09 68.63 0.5 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.016 -0.993 . . . . 2.07 111.777 167.155 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' TRP . . . . . 0.405 ' HD1' ' O ' ' A' ' 69' ' ' HIS . 62.7 p-90 -114.1 140.74 48.24 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 120.845 0.355 . . . . 0.43 110.395 175.588 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.408 ' HB3' ' HB2' ' A' ' 76' ' ' GLU . . . -97.93 142.42 29.68 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 109.227 -0.657 . . . . 0.55 109.227 172.501 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.448 HD21 HD23 ' A' ' 94' ' ' LEU . 3.4 mt -59.11 123.44 16.62 Favored 'General case' 0 C--N 1.311 -1.096 0 CA-C-O 121.202 0.525 . . . . 1.71 110.069 169.714 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 91.01 17.23 52.16 Favored Glycine 0 N--CA 1.448 -0.508 0 CA-C-N 115.722 -0.672 . . . . 0.59 112.397 -173.003 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.408 ' HB2' ' HB3' ' A' ' 73' ' ' ALA . 9.2 tp10 -113.32 154.75 26.35 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.163 0.506 . . . . 2.37 110.749 -178.644 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -127.6 106.16 8.97 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 108.045 -1.094 . . . . 1.4 108.045 -178.774 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 53.0 p90 -123.13 156.11 35.65 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 120.727 0.298 . . . . 0.57 111.522 -168.335 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 63.8 tt0 -79.39 141.88 36.49 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.471 -0.566 . . . . 1.95 109.471 175.613 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.44 ' CG ' ' HD1' ' A' ' 69' ' ' HIS . 23.5 t70 -151.96 158.6 43.35 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.545 -0.298 . . . . 1.26 111.533 -169.881 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -93.28 92.49 7.73 Favored 'General case' 0 CA--C 1.519 -0.229 0 N-CA-C 108.146 -1.057 . . . . 2.13 108.146 173.914 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -75.66 160.46 30.05 Favored 'General case' 0 C--N 1.312 -1.063 0 N-CA-C 113.671 0.989 . . . . 0.95 113.671 -166.528 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.516 ' O ' ' HG3' ' A' ' 65' ' ' LYS . 14.5 tp -60.74 -29.31 69.31 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 113.567 -1.651 . . . . 1.34 111.075 -177.378 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -81.69 20.54 0.92 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.935 -0.575 . . . . 1.55 111.79 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 42.8 m 64.2 30.76 13.53 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 115.652 -0.704 . . . . 1.21 112.477 170.149 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 36.9 p -130.67 172.2 12.23 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 121.069 0.461 . . . . 0.93 110.163 176.893 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 12.5 mm100 -108.88 119.27 39.04 Favored 'General case' 0 C--N 1.317 -0.839 0 N-CA-C 108.226 -1.027 . . . . 1.88 108.226 176.378 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' HIS . . . . . 0.651 ' CB ' ' HA ' ' A' ' 106' ' ' LYS . 25.8 p80 -161.83 179.47 8.05 Favored 'General case' 0 C--N 1.32 -0.714 0 C-N-CA 120.345 -0.542 . . . . 1.04 111.713 178.684 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 61.8 pttt -88.96 154.92 19.84 Favored 'General case' 0 N--CA 1.442 -0.856 0 CA-C-N 115.663 -0.699 . . . . 1.49 110.499 -175.231 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 51.9 mt -142.37 129.25 19.11 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.007 0 CA-C-N 114.85 -1.068 . . . . 0.54 110.005 -177.821 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 1.3 m -105.15 133.17 50.37 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 115.975 -0.557 . . . . 0.43 110.832 -179.752 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -107.87 129.46 55.08 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 108.615 -0.883 . . . . 0.6 108.615 172.177 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -147.34 136.71 22.61 Favored 'General case' 0 C--N 1.315 -0.913 0 C-N-CA 121.11 -0.236 . . . . 1.69 110.395 -174.457 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.448 HD23 HD21 ' A' ' 74' ' ' LEU . 0.2 OUTLIER -90.46 109.62 20.75 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 108.693 -0.855 . . . . 1.12 108.693 175.66 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 33.8 tttm -79.86 -43.86 21.54 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.649 0.738 . . . . 3.03 109.522 -172.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -155.5 159.38 31.71 Favored Pre-proline 0 C--N 1.315 -0.913 0 N-CA-C 107.383 -1.34 . . . . 1.79 107.383 175.403 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 34.3 Cg_exo -60.81 4.06 0.24 Allowed 'Trans proline' 0 N--CA 1.476 0.478 0 C-N-CA 123.316 2.678 . . . . 0.98 114.668 -172.123 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' ASN . . . . . 0.403 ' O ' ' HA ' ' A' ' 119' ' ' ARG . 28.3 t-20 -124.99 -4.71 7.48 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.519 0.199 . . . . 2.32 110.901 177.595 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 70.3 m -141.59 117.41 10.45 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-O 121.511 0.672 . . . . 0.56 112.792 -176.844 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.608 HD23 ' N ' ' A' ' 101' ' ' THR . 7.4 tt -90.99 146.13 24.12 Favored 'General case' 0 C--O 1.222 -0.351 0 N-CA-C 108.189 -1.041 . . . . 1.1 108.189 172.47 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.608 ' N ' HD23 ' A' ' 100' ' ' LEU . 15.6 p -122.23 131.76 54.09 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 118.311 0.505 . . . . 0.41 111.316 178.251 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 56.2 tt0 -113.51 109.81 19.26 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.155 -0.683 . . . . 1.31 109.155 176.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 11.9 m -101.36 114.91 29.33 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.228 -0.442 . . . . 0.51 110.851 -175.019 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' HIS . . . . . 0.48 ' HE1' ' CE2' ' A' ' 116' ' ' TYR . 19.3 m170 -93.3 115.31 27.89 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.844 -0.428 . . . . 1.69 109.844 179.231 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.509 HG12 HG12 ' A' ' 113' ' ' VAL . 24.4 mt -122.13 117.9 53.76 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.321 0 CA-C-O 121.447 0.642 . . . . 0.75 111.338 179.161 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.651 ' HA ' ' CB ' ' A' ' 88' ' ' HIS . 98.2 mttt -66.41 118.35 9.93 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 115.34 -0.845 . . . . 1.61 111.58 178.172 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.472 ' H ' ' CB ' ' A' ' 88' ' ' HIS . 15.5 m -58.15 -22.88 20.35 Favored 'Isoleucine or valine' 0 C--O 1.233 0.205 0 CA-C-N 115.285 -0.87 . . . . 1.32 111.268 176.796 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -87.59 -50.16 6.7 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.847 -0.615 . . . . 2.5 110.531 177.473 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 109' ' ' ASP . . . . . 0.587 ' O ' ' HB2' ' A' ' 106' ' ' LYS . 13.5 t70 -130.13 89.29 45.64 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.367 0.604 . . . . 2.39 110.111 -178.141 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -74.88 6.02 3.58 Favored 'Trans proline' 0 N--CA 1.462 -0.373 0 C-N-CA 123.221 2.614 . . . . 0.9 113.212 -177.63 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 18.1 p -94.12 -22.5 18.43 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.961 0.41 . . . . 1.47 110.859 176.897 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -93.53 53.54 1.89 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.512 0.672 . . . . 1.59 109.527 175.649 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.509 HG12 HG12 ' A' ' 105' ' ' ILE . 9.9 m -67.42 178.87 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.13 -0.941 . . . . 1.6 112.205 177.916 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -163.14 137.29 6.1 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.541 -0.754 . . . . 2.78 109.48 178.733 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 92.4 m -129.13 121.22 27.3 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.38 0.609 . . . . 0.53 111.935 -177.189 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 116' ' ' TYR . . . . . 0.48 ' CE2' ' HE1' ' A' ' 104' ' ' HIS . 11.1 m-30 -103.65 153.03 21.09 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 107.249 -1.389 . . . . 0.96 107.249 170.475 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 117' ' ' GLU . . . . . 0.493 ' HG2' HG22 ' A' ' 101' ' ' THR . 24.4 mt-10 -131.92 131.99 43.17 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 108.075 -1.083 . . . . 1.27 108.075 178.917 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 118' ' ' TYR . . . . . 0.477 ' HB2' ' HB3' ' A' ' 100' ' ' LEU . 80.9 m-85 -105.8 100.22 9.79 Favored 'General case' 0 C--N 1.314 -0.964 0 N-CA-C 109.935 -0.394 . . . . 0.6 109.935 -179.865 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 119' ' ' ARG . . . . . 0.415 ' NH1' ' HB2' ' A' ' 121' ' ' ASP . 0.0 OUTLIER -111.47 154.16 25.11 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 120.611 -0.435 . . . . 3.41 110.418 179.654 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 27.5 tpt180 -107.51 124.39 49.83 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.594 -0.276 . . . . 1.96 110.38 -175.673 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 121' ' ' ASP . . . . . 0.415 ' HB2' ' NH1' ' A' ' 119' ' ' ARG . 27.4 t70 -131.45 113.12 13.32 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 110.036 -0.357 . . . . 1.08 110.036 178.415 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 65.78 -113.35 5.69 Favored Glycine 0 N--CA 1.446 -0.658 0 N-CA-C 111.399 -0.681 . . . . 0.92 111.399 -177.299 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -116.06 11.62 15.38 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.88 0.371 . . . . 2.31 110.456 177.703 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 91.2 m-85 -111.72 141.96 44.66 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.27 0.557 . . . . 0.67 111.144 -179.36 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.428 HD21 ' HB3' ' A' ' 118' ' ' TYR . 3.1 tm? -82.67 115.69 21.72 Favored 'General case' 0 N--CA 1.445 -0.719 0 N-CA-C 106.749 -1.574 . . . . 1.03 106.749 168.749 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 60.3 t -103.09 107.75 22.8 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.96 0 CA-C-O 121.454 0.645 . . . . 0.47 109.723 -173.59 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 127' ' ' MET . . . . . 0.451 ' HB3' ' HB2' ' A' ' 138' ' ' ARG . 9.2 tpt -70.04 121.14 16.86 Favored 'General case' 0 N--CA 1.44 -0.926 0 CA-C-N 114.601 -1.181 . . . . 1.08 109.418 179.654 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 128' ' ' LYS . . . . . 0.444 ' HB3' ' HB2' ' A' ' 117' ' ' GLU . 25.9 tptp -118.35 88.7 2.97 Favored 'General case' 0 C--N 1.313 -0.984 0 CA-C-O 121.761 0.791 . . . . 2.2 109.149 -175.204 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 129' ' ' MET . . . . . 0.455 ' HB2' ' CG2' ' A' ' 136' ' ' THR . 42.5 mtp -103.91 135.66 45.01 Favored 'General case' 0 C--N 1.318 -0.801 0 N-CA-C 108.85 -0.796 . . . . 1.11 108.85 -178.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 130' ' ' SER . . . . . 0.534 ' HA ' ' O ' ' A' ' 134' ' ' VAL . 8.3 m -145.94 136.61 24.24 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.392 0.615 . . . . 1.06 111.531 -178.273 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 131' ' ' TRP . . . . . 0.519 ' CD1' ' HD3' ' A' ' 132' ' ' LYS . 61.2 t-105 -151.53 130.64 12.67 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 114.687 -1.142 . . . . 0.76 109.49 178.45 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 132' ' ' LYS . . . . . 0.519 ' HD3' ' CD1' ' A' ' 131' ' ' TRP . 6.1 mptp? 49.53 44.46 24.18 Favored 'General case' 0 C--N 1.332 -0.189 0 O-C-N 123.637 0.586 . . . . 1.96 111.753 -175.907 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 82.97 -18.12 18.23 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.932 -0.651 . . . . 0.53 113.512 177.34 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 134' ' ' VAL . . . . . 0.534 ' O ' ' HA ' ' A' ' 130' ' ' SER . 15.8 t -79.27 107.26 11.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.973 0.387 . . . . 0.43 110.466 -178.199 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -104.28 127.59 51.94 Favored 'General case' 0 N--CA 1.444 -0.734 0 CA-C-O 121.383 0.611 . . . . 1.14 111.487 178.088 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 136' ' ' THR . . . . . 0.455 ' CG2' ' HB2' ' A' ' 129' ' ' MET . 3.6 t -115.6 129.32 56.47 Favored 'General case' 0 C--N 1.314 -0.969 0 CA-C-N 115.261 -0.881 . . . . 0.4 109.909 177.771 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 137' ' ' SER . . . . . 0.441 ' HA ' ' O ' ' A' ' 127' ' ' MET . 22.6 m -107.99 113.05 25.95 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.981 -0.554 . . . . 0.79 109.785 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 138' ' ' ARG . . . . . 0.451 ' HB2' ' HB3' ' A' ' 127' ' ' MET . 25.0 mtp180 -108.47 123.5 48.98 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 109.69 -0.485 . . . . 1.84 109.69 -178.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 75.9 m-85 -90.2 107.39 19.1 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-O 121.393 0.616 . . . . 0.64 110.857 -173.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 140' ' ' TYR . . . . . 0.416 ' CE1' ' HG2' ' A' ' 43' ' ' LYS . 65.2 m-85 -99.86 120.41 39.72 Favored 'General case' 0 N--CA 1.443 -0.799 0 CA-C-N 114.865 -1.061 . . . . 0.6 109.608 177.412 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 141' ' ' LYS . . . . . 0.57 ' HG3' ' O ' ' A' ' 142' ' ' LYS . 17.5 ptpt -95.37 162.36 13.7 Favored 'General case' 0 C--N 1.312 -1.058 0 N-CA-C 107.029 -1.471 . . . . 1.92 107.029 174.442 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 142' ' ' LYS . . . . . 0.57 ' O ' ' HG3' ' A' ' 141' ' ' LYS . 39.0 tttt -61.33 -178.95 0.14 Allowed 'General case' 0 C--N 1.312 -1.022 0 CA-C-N 118.816 0.734 . . . . 2.13 110.633 173.733 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 143' ' ' GLN . . . . . 0.718 ' NE2' ' HB3' ' A' ' 12' ' ' LYS . 65.4 mm-40 . . . . . 0 C--O 1.248 1.013 0 O-C-N 121.506 -0.746 . . . . 1.46 110.321 163.297 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.742 ' HA ' ' OH ' ' A' ' 56' ' ' TYR . 0.7 OUTLIER . . . . . 0 N--CA 1.447 -0.613 0 CA-C-O 121.043 0.449 . . . . 0.99 110.763 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.44 ' HA ' HD23 ' A' ' 3' ' ' LEU . 5.7 mt -57.12 126.99 75.3 Favored Pre-proline 0 C--N 1.323 -0.55 0 CA-C-N 115.018 -0.992 . . . . 0.59 111.489 179.471 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_exo -60.12 131.02 36.86 Favored 'Trans proline' 0 N--CA 1.455 -0.747 0 C-N-CA 122.475 2.117 . . . . 0.61 110.875 172.188 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -50.94 -26.22 5.65 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 115.647 -0.706 . . . . 2.19 111.771 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.412 ' O ' ' HD3' ' A' ' 120' ' ' ARG . 75.8 mmtt -57.76 -22.63 48.01 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.478 0.547 . . . . 2.53 112.478 176.842 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 23.8 m-85 -104.36 -1.56 26.71 Favored 'General case' 0 C--O 1.225 -0.215 0 O-C-N 121.639 -0.663 . . . . 0.6 110.74 178.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.568 HD23 ' HB3' ' A' ' 45' ' ' PHE . 95.6 mt -101.6 152.98 20.16 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.154 0.502 . . . . 0.46 111.703 -173.219 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 123.01 -117.75 3.36 Favored Glycine 0 N--CA 1.445 -0.737 0 CA-C-N 115.408 -0.815 . . . . 0.52 111.658 -179.34 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.56 ' O ' ' HD2' ' A' ' 142' ' ' LYS . 12.4 t -167.7 136.03 2.45 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.362 0.601 . . . . 1.05 110.111 178.54 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.45 ' HB3' ' HB3' ' A' ' 140' ' ' TYR . 67.0 m-85 -130.98 127.74 38.99 Favored 'General case' 0 C--N 1.311 -1.085 0 CA-C-N 115.547 -0.751 . . . . 0.47 111.711 -175.494 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.462 ' HB3' HE21 ' A' ' 143' ' ' GLN . 0.0 OUTLIER -95.9 135.93 36.99 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 120.139 -0.624 . . . . 2.19 109.419 169.66 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.424 ' HA ' ' HA ' ' A' ' 140' ' ' TYR . 6.7 tt -59.06 129.69 43.38 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.104 0.478 . . . . 1.14 111.157 -178.595 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -97.53 -52.59 3.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.864 -0.607 . . . . 2.08 110.143 -178.753 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 34.7 ptt-85 -154.9 175.82 13.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.798 0.332 . . . . 3.36 110.765 -176.777 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -149.4 158.11 43.89 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.19 -0.459 . . . . 1.19 110.549 179.491 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 37.3 mm-40 -136.14 123.6 22.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.31 -0.404 . . . . 2.66 111.019 -177.723 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 69.17 29.31 4.7 Favored 'General case' 0 N--CA 1.475 0.806 0 CA-C-O 121.797 0.808 . . . . 0.76 111.116 174.28 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 31.9 t80 -72.89 -42.42 63.6 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.374 -0.83 . . . . 0.49 110.888 -175.16 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -52.56 -57.04 11.24 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 116.126 -0.488 . . . . 2.04 111.521 176.836 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -56.14 -38.81 71.33 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 116.434 -0.348 . . . . 1.79 111.56 -179.703 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 60.2 t80 -58.82 -41.74 87.56 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 120.751 -0.38 . . . . 0.57 111.017 176.918 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 90.6 mt -65.8 -37.25 85.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.829 0.347 . . . . 0.37 110.883 -178.098 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 50.4 mtpt -64.87 -44.01 91.09 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.849 -0.614 . . . . 1.88 109.906 178.434 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.91 -40.36 84.3 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.285 -0.87 . . . . 0.44 110.893 176.054 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.498 ' NH1' ' HB2' ' A' ' 114' ' ' GLU . 16.6 mmm180 -65.11 -17.25 64.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.694 -0.685 . . . . 1.29 111.536 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 94.72 15.94 44.2 Favored Glycine 0 N--CA 1.443 -0.877 0 C-N-CA 120.597 -0.811 . . . . 0.62 112.258 -178.464 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 47.7 m-85 -84.11 125.58 32.27 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.889 0.376 . . . . 0.64 110.035 177.456 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.501 ' O ' ' HG3' ' A' ' 33' ' ' ARG . . . -77.6 -178.08 47.7 Favored Glycine 0 N--CA 1.443 -0.899 0 CA-C-N 115.659 -0.7 . . . . 1.54 111.856 179.651 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.568 ' O ' ' HG2' ' A' ' 34' ' ' GLN . 82.7 t90 -51.14 -49.94 59.86 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 111.918 0.34 . . . . 1.18 111.918 -175.894 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.419 HD13 ' HA ' ' A' ' 31' ' ' ILE . 1.6 mm -56.16 -55.5 18.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 N-CA-C 112.3 0.481 . . . . 2.16 112.3 -177.737 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.451 ' O ' HG13 ' A' ' 36' ' ' ILE . 54.9 mmm -57.52 -39.36 76.4 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 121.136 -0.226 . . . . 0.97 111.324 179.255 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.501 ' HG3' ' O ' ' A' ' 29' ' ' GLY . 61.1 mtm-85 -65.64 -26.38 67.79 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.815 -0.354 . . . . 1.87 110.628 179.23 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.568 ' HG2' ' O ' ' A' ' 30' ' ' TRP . 27.5 mm-40 -74.56 -26.43 59.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.078 0.466 . . . . 1.97 110.359 177.872 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.494 HG13 ' HE3' ' A' ' 64' ' ' LYS . 76.3 t -85.23 -65.17 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 120.942 0.401 . . . . 0.68 110.805 177.259 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.451 HG13 ' O ' ' A' ' 32' ' ' MET . 54.2 mt -47.62 -39.73 7.04 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.49 0 C-N-CA 124.003 0.921 . . . . 0.51 113.018 -178.007 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.432 ' HB2' ' O ' ' A' ' 33' ' ' ARG . 18.9 mtpp -72.64 -27.72 62.3 Favored 'General case' 0 N--CA 1.466 0.333 0 N-CA-C 112.388 0.514 . . . . 0.97 112.388 -179.003 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.553 HD23 ' O ' ' A' ' 34' ' ' GLN . 4.2 mm? -100.17 -1.57 36.25 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.839 0.352 . . . . 2.08 111.665 -173.022 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -84.13 115.6 22.48 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-O 120.876 0.37 . . . . 1.03 110.834 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.515 ' O ' ' HA ' ' A' ' 62' ' ' THR . . . -72.34 146.77 39.7 Favored Glycine 0 N--CA 1.447 -0.596 0 N-CA-C 110.802 -0.919 . . . . 0.84 110.802 174.859 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.794 ' HB ' HG22 ' A' ' 62' ' ' THR . 1.3 p -144.69 138.95 23.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-O 121.77 0.795 . . . . 1.3 112.365 -175.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 86.1 m -123.72 139.78 53.64 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 114.58 -1.191 . . . . 0.45 109.869 178.371 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.443 ' HE2' ' HE3' ' A' ' 127' ' ' MET . 40.6 mttp -117.65 135.0 54.29 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.916 0.389 . . . . 0.79 110.799 -179.631 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.444 ' HG2' ' OG1' ' A' ' 10' ' ' THR . 46.2 mtpt -132.28 120.13 21.73 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.179 -0.464 . . . . 1.96 110.823 -172.33 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.568 ' HB3' HD23 ' A' ' 8' ' ' LEU . 45.7 m-85 -113.14 133.98 54.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.307 -0.406 . . . . 0.54 110.635 -179.727 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.486 ' HG3' ' O ' ' A' ' 47' ' ' ASN . 6.9 ptp180 -156.08 166.01 34.73 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.691 0.281 . . . . 3.17 110.626 178.291 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ASN . . . . . 0.486 ' O ' ' HG3' ' A' ' 46' ' ' ARG . 54.0 m-80 -65.65 153.1 42.58 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 108.462 -0.94 . . . . 1.85 108.462 170.161 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.479 ' N ' ' HA ' ' A' ' 56' ' ' TYR . . . -47.96 133.73 14.31 Favored 'General case' 0 CA--C 1.515 -0.376 0 CA-C-O 121.656 0.741 . . . . 0.87 111.918 -173.176 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.47 -39.47 83.79 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 114.039 -1.437 . . . . 1.48 111.859 -173.224 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 50.8 m -79.43 12.15 2.61 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 112.211 0.449 . . . . 2.37 112.211 178.434 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 68.34 29.96 73.3 Favored Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 121.06 -0.591 . . . . 1.91 113.878 176.35 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.538 ' HD2' ' OD1' ' A' ' 71' ' ' ASP . 91.6 mttt -84.83 120.0 73.33 Favored Pre-proline 0 C--N 1.325 -0.491 0 CA-C-N 116.975 0.387 . . . . 3.17 110.077 177.018 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.459 ' O ' ' HB2' ' A' ' 54' ' ' ASP . 75.2 Cg_exo -55.26 142.71 78.29 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.963 2.442 . . . . 1.84 112.587 177.862 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.459 ' HB2' ' O ' ' A' ' 53' ' ' PRO . 48.6 m-20 84.22 -53.75 0.12 Allowed 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 114.932 -1.031 . . . . 2.44 110.199 176.735 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.44 ' HG2' ' HB2' ' A' ' 73' ' ' ALA . 74.5 mtt180 -66.13 152.78 44.02 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 112.744 0.646 . . . . 4.1 112.744 178.267 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.742 ' OH ' ' HA ' ' A' ' 2' ' ' THR . 28.6 m-85 -129.1 178.65 6.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.245 -0.888 . . . . 0.97 110.505 -178.562 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -131.54 135.72 47.27 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.377 -0.829 . . . . 1.1 108.877 174.691 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 8.0 tpt -138.51 131.83 30.25 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.508 0.194 . . . . 0.98 110.577 -176.327 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -127.09 146.26 50.44 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.267 0.556 . . . . 1.11 112.121 -175.773 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.478 ' HB2' ' OG1' ' A' ' 67' ' ' THR . 37.7 m-80 -123.75 101.58 7.36 Favored 'General case' 0 CA--C 1.515 -0.392 0 N-CA-C 108.353 -0.98 . . . . 1.17 108.353 172.899 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.54 ' O ' ' HA ' ' A' ' 41' ' ' VAL . 75.3 mt -97.12 112.5 24.25 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.86 -0.609 . . . . 1.67 110.903 -176.558 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.794 HG22 ' HB ' ' A' ' 41' ' ' VAL . 12.9 p -120.94 -170.7 2.05 Favored 'General case' 0 N--CA 1.445 -0.72 0 N-CA-C 109.243 -0.651 . . . . 0.45 109.243 178.498 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 43.0 p -90.15 -25.84 20.48 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-O 120.956 0.408 . . . . 0.54 111.038 -177.738 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.494 ' HE3' HG13 ' A' ' 35' ' ' VAL . 74.5 mmtt -104.11 -25.13 13.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 2.24 111.689 -172.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.432 ' HG2' ' O ' ' A' ' 82' ' ' ALA . 26.8 tptp -157.3 134.04 10.03 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.975 0.417 . . . . 1.82 110.751 178.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -106.23 134.65 49.03 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 109.445 -0.576 . . . . 2.12 109.445 175.173 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.48 HG22 ' O ' ' A' ' 81' ' ' GLU . 69.0 p -115.93 151.42 35.4 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 109.494 -0.558 . . . . 0.56 109.494 177.74 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 9.8 t-160 -145.05 96.72 2.9 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 109.625 -0.509 . . . . 1.95 109.625 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.439 ' HD1' ' CG ' ' A' ' 80' ' ' ASP . 6.5 m-70 -72.27 88.08 1.15 Allowed 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.603 -0.726 . . . . 0.39 109.092 178.137 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 84.5 mttt -77.65 117.83 19.44 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.263 -0.881 . . . . 2.3 112.409 -176.788 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.538 ' OD1' ' HD2' ' A' ' 52' ' ' LYS . 11.9 t70 61.75 60.18 1.64 Allowed 'General case' 0 C--O 1.235 0.336 0 O-C-N 123.809 0.693 . . . . 2.07 111.603 165.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 67.2 p-90 -108.2 145.62 33.97 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.399 -0.364 . . . . 0.43 110.513 -178.388 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.635 ' O ' ' HB2' ' A' ' 76' ' ' GLU . . . -106.04 143.76 33.71 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 110.159 -0.312 . . . . 0.55 110.159 176.603 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.568 HD11 HD23 ' A' ' 94' ' ' LEU . 4.7 tt -59.79 120.97 10.56 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.595 -0.52 . . . . 1.71 109.595 171.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 96.07 10.83 55.79 Favored Glycine 0 N--CA 1.45 -0.422 0 CA-C-N 115.84 -0.618 . . . . 0.59 112.284 -173.637 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.635 ' HB2' ' O ' ' A' ' 73' ' ' ALA . 7.6 mm-40 -110.06 160.01 16.82 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.266 0.555 . . . . 2.37 111.278 -177.87 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.455 ' OE2' ' HD2' ' A' ' 89' ' ' LYS . 30.9 tt0 -131.48 110.1 10.76 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 114.882 -1.054 . . . . 1.4 108.804 -175.677 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 46.4 p90 -130.23 161.13 31.88 Favored 'General case' 0 C--N 1.319 -0.717 0 CA-C-N 116.178 -0.464 . . . . 0.57 110.711 -170.883 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 -92.99 153.0 18.99 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.364 0.602 . . . . 1.95 110.738 174.719 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.501 ' HB3' HD12 ' A' ' 90' ' ' ILE . 8.9 t70 -154.71 153.94 32.09 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.374 -0.83 . . . . 1.26 110.434 -174.074 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.48 ' O ' HG22 ' A' ' 67' ' ' THR . 7.0 pt-20 -88.18 87.41 7.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.925 0.869 . . . . 2.13 108.991 178.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.432 ' O ' ' HG2' ' A' ' 65' ' ' LYS . . . -78.64 171.67 14.8 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 114.423 -1.262 . . . . 0.95 113.514 -161.714 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 91.1 mt -55.0 -30.68 59.99 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 115.81 -0.632 . . . . 1.34 111.289 -178.364 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -76.96 21.1 0.22 Allowed 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.536 -0.757 . . . . 1.55 111.931 -178.043 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 16.1 m 77.62 -46.18 0.46 Allowed 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 123.904 0.882 . . . . 1.21 111.794 171.008 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 3.2 p -78.67 164.39 24.65 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 120.737 0.303 . . . . 0.93 110.365 176.271 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 29.6 pt20 -110.42 141.84 42.95 Favored 'General case' 0 N--CA 1.44 -0.96 0 N-CA-C 109.384 -0.598 . . . . 1.88 109.384 177.926 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' HIS . . . . . 0.631 ' CB ' ' HA ' ' A' ' 106' ' ' LYS . 16.8 p80 -157.22 -176.12 5.79 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 116.249 -0.432 . . . . 1.04 111.879 -174.646 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.455 ' HD2' ' OE2' ' A' ' 77' ' ' GLU . 39.0 ttpt -73.1 142.9 47.54 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.092 -0.958 . . . . 1.49 111.048 -177.155 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.501 HD12 ' HB3' ' A' ' 80' ' ' ASP . 63.0 mt -145.63 128.85 10.48 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 115.474 -0.784 . . . . 0.54 110.063 177.52 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 2.2 m -109.57 139.86 44.07 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 120.833 0.349 . . . . 0.43 110.788 178.09 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.426 ' CD2' HD21 ' A' ' 100' ' ' LEU . 5.0 m-85 -116.9 128.29 55.09 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.099 -0.5 . . . . 0.6 109.671 175.139 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -159.92 151.7 20.19 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.97 -0.382 . . . . 1.69 109.97 -176.496 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.568 HD23 HD11 ' A' ' 74' ' ' LEU . 1.3 mm? -97.03 121.23 38.68 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 109.85 -0.426 . . . . 1.12 109.85 179.502 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 46.1 tptt -81.77 -48.13 12.02 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.883 -0.784 . . . . 3.03 108.883 -176.583 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -140.03 165.82 28.04 Favored Pre-proline 0 C--N 1.323 -0.563 0 N-CA-C 107.513 -1.291 . . . . 1.79 107.513 176.083 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 26.0 Cg_exo -64.56 2.33 1.3 Allowed 'Trans proline' 0 C--N 1.349 0.558 0 C-N-CA 122.958 2.439 . . . . 0.98 113.55 -173.705 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 74.2 m-20 -139.93 23.07 2.44 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.315 -0.402 . . . . 2.32 110.468 178.43 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.517 ' HA ' ' O ' ' A' ' 118' ' ' TYR . 85.6 m -151.03 108.59 3.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.229 0.538 . . . . 0.56 111.748 -179.077 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.566 ' HB3' ' HB2' ' A' ' 118' ' ' TYR . 6.4 tt -90.51 137.28 32.48 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.38 -0.97 . . . . 1.1 108.38 175.331 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.564 ' N ' HD23 ' A' ' 100' ' ' LEU . 3.6 p -114.36 126.48 55.04 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 120.854 0.359 . . . . 0.41 110.967 178.902 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.406 ' HG3' ' CE1' ' A' ' 92' ' ' PHE . 49.4 tt0 -115.86 109.43 17.62 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.856 -0.611 . . . . 1.31 109.765 178.349 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 103' ' ' THR . . . . . 0.426 ' O ' ' HA ' ' A' ' 90' ' ' ILE . 7.6 m -98.35 110.14 22.78 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.372 -0.376 . . . . 0.51 110.761 -175.752 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 29.0 m-70 -93.14 100.22 12.65 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.284 -0.417 . . . . 1.69 110.258 -179.408 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.589 ' HA ' HG12 ' A' ' 113' ' ' VAL . 30.0 mt -108.49 118.19 55.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 121.458 0.647 . . . . 0.75 111.723 179.718 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.631 ' HA ' ' CB ' ' A' ' 88' ' ' HIS . 46.5 mtpt -69.93 124.73 24.78 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.438 -0.801 . . . . 1.61 112.305 179.54 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.491 HG23 ' HA ' ' A' ' 88' ' ' HIS . 93.9 t -63.65 -30.91 51.12 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.725 0 CA-C-N 114.547 -1.206 . . . . 1.32 109.891 173.254 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -70.35 -45.58 65.84 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 114.709 -1.132 . . . . 2.5 110.399 179.549 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 109' ' ' ASP . . . . . 0.514 ' O ' ' HB2' ' A' ' 106' ' ' LYS . 4.3 p-10 -158.7 107.02 1.62 Allowed Pre-proline 0 N--CA 1.453 -0.293 0 CA-C-O 121.698 0.761 . . . . 2.39 110.647 177.408 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 110' ' ' PRO . . . . . 0.413 ' HD2' ' HA ' ' A' ' 109' ' ' ASP . 70.1 Cg_endo -73.16 11.15 0.98 Allowed 'Trans proline' 0 CA--C 1.529 0.246 0 C-N-CA 123.527 2.818 . . . . 0.9 112.822 -179.689 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 39.2 p -90.92 -16.86 27.39 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.992 -0.549 . . . . 1.47 111.244 178.079 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -114.46 39.45 2.79 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.952 0.882 . . . . 1.59 109.866 -176.15 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.589 HG12 ' HA ' ' A' ' 105' ' ' ILE . 19.3 m -85.22 178.53 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 115.361 -0.836 . . . . 1.6 111.484 -175.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.498 ' HB2' ' NH1' ' A' ' 26' ' ' ARG . 8.7 tp10 -161.36 153.37 19.65 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.336 -0.393 . . . . 2.78 110.316 177.007 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 30.4 m -123.9 120.02 31.32 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.883 -0.599 . . . . 0.53 109.965 179.21 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 17.9 m-30 -95.23 146.94 23.98 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 107.788 -1.19 . . . . 0.96 107.788 176.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 117' ' ' GLU . . . . . 0.421 ' HB2' ' NH1' ' A' ' 119' ' ' ARG . 36.2 mt-10 -129.16 123.0 30.99 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.867 -0.79 . . . . 1.27 108.867 -178.407 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 118' ' ' TYR . . . . . 0.566 ' HB2' ' HB3' ' A' ' 100' ' ' LEU . 2.2 m-85 -98.44 122.12 41.23 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.378 -0.373 . . . . 0.6 110.755 -175.788 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 119' ' ' ARG . . . . . 0.421 ' NH1' ' HB2' ' A' ' 117' ' ' GLU . 0.0 OUTLIER -131.96 151.3 51.81 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 120.786 0.327 . . . . 3.41 110.375 173.033 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 120' ' ' ARG . . . . . 0.412 ' HD3' ' O ' ' A' ' 6' ' ' LYS . 9.0 tpt180 -101.31 105.86 16.98 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.34 -0.391 . . . . 1.96 110.449 -177.007 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -95.21 91.98 6.55 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.593 -0.521 . . . . 1.08 109.593 177.169 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 69.38 -100.15 0.71 Allowed Glycine 0 N--CA 1.446 -0.639 0 N-CA-C 111.124 -0.791 . . . . 0.92 111.124 -175.659 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -122.5 12.21 10.02 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.797 0.332 . . . . 2.31 111.003 176.151 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 92.7 m-85 -105.86 134.9 48.25 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.337 -0.392 . . . . 0.67 110.319 175.741 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -85.58 117.73 24.66 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 107.632 -1.247 . . . . 1.03 107.632 173.723 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 43.9 t -112.95 123.79 68.95 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.918 0 CA-C-O 121.39 0.614 . . . . 0.47 109.666 -174.56 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 127' ' ' MET . . . . . 0.525 ' HB3' ' HB3' ' A' ' 138' ' ' ARG . 20.7 ttm -105.19 140.42 38.38 Favored 'General case' 0 C--N 1.312 -1.024 0 CA-C-N 115.071 -0.968 . . . . 1.08 110.136 -179.786 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 38.8 tttm -112.47 126.21 55.07 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-N 115.851 -0.613 . . . . 2.2 109.386 176.768 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 49.4 mtp -124.62 119.81 30.09 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 107.985 -1.117 . . . . 1.11 107.985 177.083 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 130' ' ' SER . . . . . 0.518 ' HB3' ' HB3' ' A' ' 135' ' ' SER . 2.7 p -141.02 125.57 17.77 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 120.995 0.426 . . . . 1.06 112.138 -172.58 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 131' ' ' TRP . . . . . . . . . . . . . 70.1 t-105 -139.26 128.06 23.41 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.575 -0.739 . . . . 0.76 110.236 -178.157 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 53.9 mtmt 47.2 48.24 16.07 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 115.746 -0.661 . . . . 1.96 112.3 -176.724 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 86.77 -36.15 3.3 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.996 -0.621 . . . . 0.53 113.435 177.558 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 20.0 t -74.16 111.17 9.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 121.146 0.498 . . . . 0.43 110.204 -176.944 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 135' ' ' SER . . . . . 0.518 ' HB3' ' HB3' ' A' ' 130' ' ' SER . 0.1 OUTLIER -111.09 143.44 41.81 Favored 'General case' 0 N--CA 1.443 -0.778 0 CA-C-N 115.771 -0.65 . . . . 1.14 111.745 -177.36 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 8.2 t -129.89 140.09 51.03 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.771 -0.649 . . . . 0.4 110.191 175.637 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 6.9 m -102.92 118.79 37.6 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.153 0.502 . . . . 0.79 109.87 177.714 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 138' ' ' ARG . . . . . 0.525 ' HB3' ' HB3' ' A' ' 127' ' ' MET . 4.5 tpt180 -96.84 110.65 23.1 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.463 -0.79 . . . . 1.84 108.921 -179.505 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 99.2 m-85 -96.37 111.91 23.83 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.987 0.422 . . . . 0.64 111.811 -172.458 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 140' ' ' TYR . . . . . 0.45 ' HB3' ' HB3' ' A' ' 11' ' ' PHE . 55.6 m-85 -107.23 136.68 46.64 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.696 -0.683 . . . . 0.6 110.619 177.597 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 8.2 ptpt -112.21 163.19 14.64 Favored 'General case' 0 C--O 1.21 -0.983 0 N-CA-C 108.053 -1.092 . . . . 1.92 108.053 173.092 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 142' ' ' LYS . . . . . 0.56 ' HD2' ' O ' ' A' ' 10' ' ' THR . 29.0 tptp -45.24 159.13 0.06 Allowed 'General case' 0 CA--C 1.547 0.846 0 CA-C-O 121.196 0.522 . . . . 2.13 111.708 173.109 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 143' ' ' GLN . . . . . 0.462 HE21 ' HB3' ' A' ' 12' ' ' LYS . 4.1 mt-30 . . . . . 0 C--O 1.247 0.923 0 O-C-N 120.815 -1.178 . . . . 1.46 109.946 159.136 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.431 ' O ' ' HD3' ' A' ' 4' ' ' PRO . 25.5 m . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.8 -0.445 . . . . 0.99 109.8 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.523 HD12 HD21 ' A' ' 8' ' ' LEU . 2.4 tm? -72.73 111.02 9.62 Favored Pre-proline 0 C--N 1.325 -0.459 0 N-CA-C 109.145 -0.687 . . . . 0.59 109.145 177.132 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 4' ' ' PRO . . . . . 0.431 ' HD3' ' O ' ' A' ' 2' ' ' THR . 53.3 Cg_exo -54.31 123.56 13.89 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.641 2.227 . . . . 0.61 112.04 -179.881 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' ASP . . . . . 0.519 ' HA ' HD12 ' A' ' 8' ' ' LEU . 23.2 m-20 -53.22 -22.33 6.61 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.278 -0.874 . . . . 2.19 112.735 -175.257 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 7.7 ptpp? -58.39 -27.71 64.52 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 111.72 0.267 . . . . 2.53 111.72 178.352 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 50.9 m-85 -85.03 -8.7 58.59 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.688 0.28 . . . . 0.6 110.744 -178.755 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.711 HD23 ' HB3' ' A' ' 45' ' ' PHE . 83.0 mt -99.27 145.17 27.58 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-O 121.145 0.498 . . . . 0.46 111.494 -169.491 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 138.01 -178.52 19.13 Favored Glycine 0 N--CA 1.446 -0.664 0 CA-C-N 115.522 -0.763 . . . . 0.52 111.954 -177.906 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.402 HG23 ' HG2' ' A' ' 44' ' ' LYS . 6.1 m -109.96 125.34 52.76 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.646 -0.501 . . . . 1.05 109.646 177.372 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.445 ' HA ' ' HA ' ' A' ' 142' ' ' LYS . 49.2 m-85 -124.36 137.56 54.46 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 111.657 0.243 . . . . 0.47 111.657 -175.016 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.563 ' HB3' ' OE1' ' A' ' 143' ' ' GLN . 15.1 ptmm? -103.78 132.03 50.42 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-O 120.994 0.425 . . . . 2.19 110.436 170.553 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.1 tt -49.73 123.65 8.28 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 115.845 -0.616 . . . . 1.14 111.059 -179.602 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -90.02 -55.13 3.74 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 116.43 -0.35 . . . . 2.08 110.622 179.541 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.404 HH11 ' HD3' ' A' ' 15' ' ' ARG . 13.5 ptt-85 -159.89 177.54 10.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.351 -0.386 . . . . 3.36 110.091 -178.246 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -135.88 172.43 13.03 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.744 0.307 . . . . 1.19 110.716 -178.515 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -155.4 110.3 2.98 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.06 -0.518 . . . . 2.66 110.468 -179.34 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 65.5 t30 72.03 20.08 4.45 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-O 121.765 0.793 . . . . 0.76 110.928 175.916 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 63.2 t80 -73.67 -39.1 64.68 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.446 -0.797 . . . . 0.49 110.991 -175.07 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.539 ' OD1' ' HE3' ' A' ' 24' ' ' LYS . 26.2 t70 -58.26 -51.45 69.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.555 -0.293 . . . . 2.04 110.998 178.092 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -53.48 -42.9 67.73 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 116.178 -0.464 . . . . 1.79 110.987 177.102 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 90.8 t80 -59.29 -40.07 85.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.829 -0.623 . . . . 0.57 111.005 177.935 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 77.1 mt -63.43 -40.37 96.99 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.827 0.346 . . . . 0.37 110.455 -178.627 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.539 ' HE3' ' OD1' ' A' ' 20' ' ' ASP . 94.0 mttt -60.79 -47.73 85.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.025 -0.534 . . . . 1.88 110.008 178.662 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.17 -36.14 72.6 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.067 -0.97 . . . . 0.44 110.856 178.697 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 14.1 mmm180 -73.95 -8.01 54.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.024 -0.535 . . . . 1.29 111.824 -179.688 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 111.11 -6.68 28.93 Favored Glycine 0 N--CA 1.446 -0.67 0 C-N-CA 120.784 -0.722 . . . . 0.62 112.308 176.263 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.455 ' HB3' ' HB2' ' A' ' 32' ' ' MET . 36.7 m-85 -79.15 99.46 6.99 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.038 0.447 . . . . 0.64 109.86 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -68.12 -55.28 13.7 Favored Glycine 0 N--CA 1.45 -0.371 0 CA-C-N 115.685 -0.689 . . . . 1.54 113.397 -173.253 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.463 ' O ' ' HG2' ' A' ' 34' ' ' GLN . 83.2 t90 -154.93 -54.53 0.09 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.996 0.398 . . . . 1.18 111.169 -177.642 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.443 HD13 ' HA ' ' A' ' 31' ' ' ILE . 1.6 mm -53.19 -55.2 13.58 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.239 0 CA-C-N 116.53 -0.305 . . . . 2.16 111.813 -177.831 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.48 ' O ' HG13 ' A' ' 36' ' ' ILE . 64.2 mmm -60.15 -36.6 77.91 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.416 -0.356 . . . . 0.97 111.16 179.805 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.458 ' HD2' ' OD2' ' A' ' 20' ' ' ASP . 47.1 mtm105 -63.26 -30.84 71.9 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.929 -0.309 . . . . 1.87 110.662 177.871 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.509 ' O ' HD23 ' A' ' 38' ' ' LEU . 29.6 mm-40 -68.68 -30.79 69.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.123 0.487 . . . . 1.97 110.375 178.254 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.505 ' CG1' ' HG3' ' A' ' 64' ' ' LYS . 95.2 t -86.92 -65.28 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.208 -0.451 . . . . 0.68 111.548 179.564 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.48 HG13 ' O ' ' A' ' 32' ' ' MET . 61.0 mt -44.47 -44.02 2.34 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.501 0 N-CA-C 113.881 1.067 . . . . 0.51 113.881 -177.487 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 51.6 mtmt -74.63 -28.42 60.87 Favored 'General case' 0 N--CA 1.466 0.33 0 N-CA-C 111.97 0.359 . . . . 0.97 111.97 -176.596 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.509 HD23 ' O ' ' A' ' 34' ' ' GLN . 4.4 mm? -89.82 -11.95 40.57 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.035 0.445 . . . . 2.08 110.541 -174.81 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -78.1 113.62 16.2 Favored 'General case' 0 N--CA 1.445 -0.687 0 CA-C-N 115.633 -0.712 . . . . 1.03 110.65 178.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.654 ' O ' ' HA ' ' A' ' 62' ' ' THR . . . -68.1 141.02 36.94 Favored Glycine 0 N--CA 1.448 -0.515 0 N-CA-C 110.849 -0.9 . . . . 0.84 110.849 175.884 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.551 HG21 HH12 ' A' ' 138' ' ' ARG . 41.3 t -124.09 123.63 67.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-O 121.131 0.491 . . . . 1.3 111.202 -174.152 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 29.5 m -110.33 115.44 29.68 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.762 -0.653 . . . . 0.45 110.008 176.121 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.504 ' HE3' ' HE3' ' A' ' 127' ' ' MET . 74.2 mmtt -87.99 133.41 33.96 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.33 -0.395 . . . . 0.79 110.137 179.374 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.559 ' O ' ' HA ' ' A' ' 58' ' ' MET . 65.8 mttm -123.2 116.01 22.7 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.511 -0.313 . . . . 1.96 110.281 177.793 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.711 ' HB3' HD23 ' A' ' 8' ' ' LEU . 70.2 m-85 -120.6 138.99 53.61 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 109.951 -0.389 . . . . 0.54 109.951 175.766 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.454 ' O ' ' HB3' ' A' ' 56' ' ' TYR . 19.0 ptt180 -171.25 172.85 5.12 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.835 0.35 . . . . 3.17 110.902 -175.685 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 19.0 m120 -65.31 161.96 18.48 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 108.398 -0.964 . . . . 1.85 108.398 168.071 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.576 ' HA ' ' HB2' ' A' ' 57' ' ' ASP . . . -53.4 129.62 32.65 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-O 121.71 0.767 . . . . 0.87 111.476 -175.122 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.404 ' H ' ' HB2' ' A' ' 57' ' ' ASP . . . -68.43 -40.43 81.2 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 114.473 -1.24 . . . . 1.48 112.131 -169.594 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 17.1 t -81.71 16.78 1.66 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.005 0.431 . . . . 2.37 110.955 179.301 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 73.05 22.43 79.07 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.945 -0.645 . . . . 1.91 113.036 177.287 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.441 ' O ' ' HB3' ' A' ' 48' ' ' ALA . 13.9 tppt? -71.26 122.37 86.88 Favored Pre-proline 0 N--CA 1.443 -0.781 0 N-CA-C 109.756 -0.461 . . . . 3.17 109.756 176.237 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.587 ' O ' ' HB3' ' A' ' 54' ' ' ASP . 74.0 Cg_endo -72.67 142.95 36.82 Favored 'Trans proline' 0 C--O 1.237 0.458 0 C-N-CA 122.031 1.821 . . . . 1.84 112.08 -179.244 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.587 ' HB3' ' O ' ' A' ' 53' ' ' PRO . 9.9 t70 86.55 -56.34 0.06 Allowed 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 124.049 0.94 . . . . 2.44 109.781 176.866 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.466 ' HD3' ' HB3' ' A' ' 71' ' ' ASP . 58.7 mtt180 -67.52 155.83 38.13 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-O 121.847 0.832 . . . . 4.1 112.885 177.088 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.454 ' HB3' ' O ' ' A' ' 46' ' ' ARG . 30.9 m-85 -120.1 176.08 5.61 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 114.736 -1.12 . . . . 0.97 109.057 179.777 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.576 ' HB2' ' HA ' ' A' ' 48' ' ' ALA . 13.7 t70 -133.02 145.06 50.5 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 110.085 -0.339 . . . . 1.1 110.085 -177.159 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.559 ' HA ' ' O ' ' A' ' 44' ' ' LYS . 1.6 tmt? -147.24 139.84 24.82 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.554 -0.294 . . . . 0.98 110.401 -175.942 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.466 ' HG2' ' HA ' ' A' ' 68' ' ' HIS . 32.7 mt-10 -135.76 157.4 46.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.332 0.586 . . . . 1.11 112.456 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.442 ' HB2' ' OG1' ' A' ' 67' ' ' THR . 36.7 m-80 -131.09 108.92 10.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 114.84 -1.073 . . . . 1.17 109.64 175.073 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 75.2 mt -103.02 127.78 50.13 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.573 -0.285 . . . . 1.67 110.323 177.365 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.654 ' HA ' ' O ' ' A' ' 40' ' ' GLY . 58.8 p -133.31 -169.27 2.24 Favored 'General case' 0 N--CA 1.445 -0.689 0 N-CA-C 109.624 -0.51 . . . . 0.45 109.624 -179.101 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 71.7 p -90.79 -19.98 22.87 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-O 121.054 0.454 . . . . 0.54 111.303 -179.086 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.505 ' HG3' ' CG1' ' A' ' 35' ' ' VAL . 32.8 mmmt -115.32 -20.57 10.27 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.251 -0.431 . . . . 2.24 111.402 -175.56 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.493 ' HB3' ' H ' ' A' ' 66' ' ' ASP . 29.7 mmmt -131.3 -156.21 0.74 Allowed 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.149 0.499 . . . . 1.82 111.266 -174.882 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.493 ' H ' ' HB3' ' A' ' 65' ' ' LYS . 5.0 p-10 162.04 120.47 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 114.249 -1.341 . . . . 2.12 107.767 -173.046 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.442 ' OG1' ' HB2' ' A' ' 60' ' ' ASN . 69.9 p -137.23 145.43 43.6 Favored 'General case' 0 C--N 1.313 -1.02 0 CA-C-N 115.901 -0.59 . . . . 0.56 109.815 -174.857 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.466 ' HA ' ' HG2' ' A' ' 59' ' ' GLU . 4.7 t-160 -132.55 93.46 3.24 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.927 0.394 . . . . 1.95 110.062 -177.722 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 8.0 m-70 -73.78 84.03 1.65 Allowed 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.928 -0.767 . . . . 0.39 108.928 175.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.409 ' HA ' ' OD2' ' A' ' 57' ' ' ASP . 15.2 ptpt -84.45 121.71 27.95 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 112.472 0.545 . . . . 2.3 112.472 -174.337 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.466 ' HB3' ' HD3' ' A' ' 55' ' ' ARG . 53.2 m-20 66.02 79.65 0.24 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 114.848 -1.069 . . . . 2.07 111.862 170.096 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' TRP . . . . . 0.484 ' HB3' ' CE1' ' A' ' 78' ' ' PHE . 43.7 p-90 -120.96 140.71 51.5 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.352 -0.386 . . . . 0.43 110.92 174.634 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.454 ' O ' ' HB3' ' A' ' 76' ' ' GLU . . . -106.98 153.61 22.31 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.113 -0.699 . . . . 0.55 109.113 172.151 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.444 HD11 ' HB2' ' A' ' 3' ' ' LEU . 4.6 mp -56.36 136.36 53.58 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.348 0.595 . . . . 1.71 111.594 173.545 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 72.56 15.07 77.52 Favored Glycine 0 N--CA 1.447 -0.592 0 CA-C-N 114.823 -1.081 . . . . 0.59 112.493 -177.292 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.454 ' HB3' ' O ' ' A' ' 73' ' ' ALA . 35.2 tt0 -107.77 127.32 53.6 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.471 0.653 . . . . 2.37 111.428 -177.72 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -97.49 122.43 40.55 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 114.802 -1.09 . . . . 1.4 109.49 174.162 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.484 ' CE1' ' HB3' ' A' ' 72' ' ' TRP . 37.2 p90 -132.48 158.81 41.12 Favored 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 109.475 -0.565 . . . . 0.57 109.475 -179.433 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 23.7 tt0 -90.53 140.63 29.55 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 109.4 -0.592 . . . . 1.95 109.4 177.458 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.582 ' HB3' HD12 ' A' ' 90' ' ' ILE . 5.5 t70 -168.58 164.78 12.41 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.708 -0.478 . . . . 1.26 109.708 -175.928 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.53 ' HA ' ' HA ' ' A' ' 87' ' ' GLN . 35.2 tt0 -97.14 118.17 32.97 Favored 'General case' 0 CA--C 1.514 -0.437 0 N-CA-C 109.52 -0.548 . . . . 2.13 109.52 178.92 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.466 ' HB3' ' OD1' ' A' ' 84' ' ' ASP . . . -94.82 -179.32 4.81 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-N 115.193 -0.912 . . . . 0.95 111.883 -178.143 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -55.28 -26.85 42.7 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 111.704 0.261 . . . . 1.34 111.704 -177.106 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.466 ' OD1' ' HB3' ' A' ' 82' ' ' ALA . 17.0 p-10 -78.37 17.23 0.67 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.098 0.475 . . . . 1.55 111.987 -175.278 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.7 t 62.83 27.61 16.1 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.435 -0.802 . . . . 1.21 112.024 166.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 9.7 p -140.97 162.13 36.21 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 109.113 -0.699 . . . . 0.93 109.113 173.693 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' GLN . . . . . 0.53 ' HA ' ' HA ' ' A' ' 81' ' ' GLU . 8.7 pt20 -110.58 128.52 55.69 Favored 'General case' 0 CA--C 1.504 -0.823 0 CA-C-O 121.558 0.694 . . . . 1.88 109.592 178.555 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' HIS . . . . . 0.851 ' HA ' HG23 ' A' ' 107' ' ' VAL . 2.5 p80 -152.85 179.48 8.62 Favored 'General case' 0 C--N 1.308 -1.219 0 CA-C-N 114.915 -1.039 . . . . 1.04 109.927 -172.674 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.53 136.75 47.65 Favored 'General case' 0 C--O 1.236 0.382 0 C-N-CA 120.501 -0.48 . . . . 1.49 109.997 -177.173 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.582 HD12 ' HB3' ' A' ' 80' ' ' ASP . 50.4 mt -134.11 126.76 50.36 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.928 0 CA-C-N 115.415 -0.811 . . . . 0.54 110.24 -178.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 18.6 m -112.92 128.08 56.38 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-N 116.141 -0.481 . . . . 0.43 110.697 178.66 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -103.79 122.83 45.92 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 108.504 -0.925 . . . . 0.6 108.504 172.397 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 20.6 t0 -156.62 156.02 32.81 Favored 'General case' 0 C--N 1.316 -0.887 0 N-CA-C 108.977 -0.749 . . . . 1.69 108.977 -172.125 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 2.4 mp -100.85 134.94 43.07 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-O 121.256 0.551 . . . . 1.12 110.822 -178.635 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 53.4 tttp -94.4 -54.28 3.59 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.314 -0.857 . . . . 3.03 108.77 -178.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.443 ' C ' ' H ' ' A' ' 98' ' ' ASN . 7.4 m-20 -121.85 167.98 12.47 Favored Pre-proline 0 C--N 1.323 -0.578 0 N-CA-C 108.345 -0.983 . . . . 1.79 108.345 174.431 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 15.3 Cg_exo -70.97 14.65 0.33 Allowed 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.925 2.417 . . . . 0.98 112.175 179.059 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' ASN . . . . . 0.443 ' H ' ' C ' ' A' ' 96' ' ' ASP . 30.8 p30 -147.61 14.47 1.08 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.561 -0.745 . . . . 2.32 110.18 176.886 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.408 ' HA ' ' HA ' ' A' ' 119' ' ' ARG . 57.1 m -141.08 111.53 6.87 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-O 121.104 0.478 . . . . 0.56 112.123 -176.133 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.551 ' HB3' ' HB2' ' A' ' 118' ' ' TYR . 0.6 OUTLIER -82.84 155.98 23.87 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.862 -1.162 . . . . 1.1 107.862 171.664 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.588 HG22 ' HG2' ' A' ' 117' ' ' GLU . 15.0 p -134.59 135.27 42.11 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 118.672 0.669 . . . . 0.41 111.036 173.435 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.407 ' O ' ' HA ' ' A' ' 115' ' ' THR . 64.0 tt0 -115.4 106.12 13.62 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.566 -0.743 . . . . 1.31 109.463 177.041 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 103' ' ' THR . . . . . 0.405 ' O ' ' HA ' ' A' ' 90' ' ' ILE . 52.2 m -104.89 119.64 39.5 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 109.973 -0.38 . . . . 0.51 109.973 -178.536 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 104' ' ' HIS . . . . . 0.636 ' HB2' ' CE1' ' A' ' 88' ' ' HIS . 29.2 p80 -120.78 117.94 28.73 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.454 -0.498 . . . . 1.69 111.348 179.634 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.726 ' O ' ' HB2' ' A' ' 88' ' ' HIS . 53.6 mt -119.5 132.12 70.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.449 -0.796 . . . . 0.75 110.62 -177.227 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.512 ' HG3' ' HB3' ' A' ' 112' ' ' ASP . 39.4 mmtm -55.93 119.87 6.52 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 115.702 -0.681 . . . . 1.61 112.748 -179.664 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.851 HG23 ' HA ' ' A' ' 88' ' ' HIS . 82.7 t -63.86 -39.43 85.41 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.554 0 CA-C-N 115.464 -0.789 . . . . 1.32 110.704 172.244 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -62.62 -36.94 84.4 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.039 -0.982 . . . . 2.5 110.751 -177.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 109' ' ' ASP . . . . . 0.42 ' O ' ' HB2' ' A' ' 106' ' ' LYS . 29.6 t70 -169.99 101.23 0.45 Allowed Pre-proline 0 C--N 1.323 -0.58 0 CA-C-N 115.533 -0.758 . . . . 2.39 108.996 -176.719 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -71.47 24.8 0.23 Allowed 'Trans proline' 0 C--O 1.233 0.241 0 C-N-CA 123.928 3.085 . . . . 0.9 114.443 -169.897 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 81.2 p -78.41 -28.85 46.94 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 109.603 -0.517 . . . . 1.47 109.603 174.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 112' ' ' ASP . . . . . 0.512 ' HB3' ' HG3' ' A' ' 106' ' ' LYS . 35.8 t70 -91.99 109.51 20.85 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 116.053 -0.521 . . . . 1.59 110.047 175.432 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -131.35 125.97 57.76 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.113 0 CA-C-N 115.468 -0.787 . . . . 1.6 109.093 -178.508 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.575 ' HB3' ' CE1' ' A' ' 104' ' ' HIS . 37.1 tt0 -138.15 140.26 39.78 Favored 'General case' 0 C--N 1.316 -0.861 0 C-N-CA 120.71 -0.396 . . . . 2.78 110.68 -178.275 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 115' ' ' THR . . . . . 0.407 ' HA ' ' O ' ' A' ' 102' ' ' GLU . 47.8 m -133.17 133.11 42.39 Favored 'General case' 0 N--CA 1.445 -0.681 0 CA-C-N 115.763 -0.653 . . . . 0.53 110.956 -174.873 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -106.36 158.41 16.9 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 107.241 -1.392 . . . . 0.96 107.241 171.674 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 117' ' ' GLU . . . . . 0.588 ' HG2' HG22 ' A' ' 101' ' ' THR . 31.0 mt-10 -129.97 111.29 12.39 Favored 'General case' 0 N--CA 1.443 -0.822 0 N-CA-C 107.695 -1.224 . . . . 1.27 107.695 -179.301 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 118' ' ' TYR . . . . . 0.551 ' HB2' ' HB3' ' A' ' 100' ' ' LEU . 95.9 m-85 -87.86 86.32 7.14 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.035 0.445 . . . . 0.6 110.056 -177.927 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 119' ' ' ARG . . . . . 0.408 ' HA ' ' HA ' ' A' ' 99' ' ' THR . 19.3 ttt85 -93.93 153.25 18.32 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.723 -0.671 . . . . 3.41 109.91 -179.833 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 120' ' ' ARG . . . . . 0.548 ' NH2' ' HA ' ' A' ' 123' ' ' ASP . 12.4 mmm180 -109.91 121.61 45.63 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-O 120.924 0.392 . . . . 1.96 111.581 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -122.15 100.77 7.14 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.819 -0.628 . . . . 1.08 109.766 176.065 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 69.54 -111.6 3.97 Favored Glycine 0 N--CA 1.443 -0.872 0 C-N-CA 120.686 -0.769 . . . . 0.92 111.269 -176.413 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 123' ' ' ASP . . . . . 0.548 ' HA ' ' NH2' ' A' ' 120' ' ' ARG . 38.0 t70 -112.74 4.2 16.94 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.301 0.572 . . . . 2.31 110.267 176.937 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 74.8 m-85 -100.16 140.74 33.97 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.107 -0.497 . . . . 0.67 110.735 -178.4 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.5 HD21 ' HB3' ' A' ' 118' ' ' TYR . 0.3 OUTLIER -87.22 123.36 32.15 Favored 'General case' 0 N--CA 1.445 -0.68 0 N-CA-C 107.671 -1.233 . . . . 1.03 107.671 173.004 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 77.4 t -111.8 113.15 43.37 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.052 0 CA-C-O 121.075 0.464 . . . . 0.47 109.912 -176.874 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 127' ' ' MET . . . . . 0.504 ' HE3' ' HE3' ' A' ' 43' ' ' LYS . 27.6 ttm -90.55 141.07 29.14 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-N 115.63 -0.714 . . . . 1.08 109.95 177.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 33.0 ttmt -134.25 136.28 43.5 Favored 'General case' 0 C--N 1.315 -0.896 0 N-CA-C 109.575 -0.528 . . . . 2.2 109.575 174.507 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 2.5 ptm -146.74 135.77 22.48 Favored 'General case' 0 C--N 1.313 -1.004 0 N-CA-C 108.766 -0.827 . . . . 1.11 108.766 -179.292 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 130' ' ' SER . . . . . 0.492 ' HA ' ' O ' ' A' ' 134' ' ' VAL . 6.2 p -131.4 136.93 48.43 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.977 0.418 . . . . 1.06 111.944 -172.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 131' ' ' TRP . . . . . 0.582 ' CD1' ' HG2' ' A' ' 132' ' ' LYS . 47.3 t-105 -151.07 131.66 13.91 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.77 -0.65 . . . . 0.76 110.116 176.079 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 132' ' ' LYS . . . . . 0.582 ' HG2' ' CD1' ' A' ' 131' ' ' TRP . 74.9 mmtt 53.29 37.37 25.11 Favored 'General case' 0 C--N 1.328 -0.355 0 O-C-N 123.746 0.654 . . . . 1.96 111.321 -178.248 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 85.72 -12.52 59.15 Favored Glycine 0 CA--C 1.519 0.34 0 C-N-CA 121.057 -0.592 . . . . 0.53 113.247 179.379 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 134' ' ' VAL . . . . . 0.492 ' O ' ' HA ' ' A' ' 130' ' ' SER . 4.8 t -83.93 105.51 13.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 117.03 0.415 . . . . 0.43 110.245 -178.55 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -101.22 128.4 47.36 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 116.108 -0.497 . . . . 1.14 110.745 176.183 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 3.1 t -123.44 136.37 54.57 Favored 'General case' 0 C--N 1.311 -1.081 0 CA-C-N 115.721 -0.672 . . . . 0.4 110.52 179.318 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 137' ' ' SER . . . . . 0.45 ' HA ' ' O ' ' A' ' 127' ' ' MET . 16.6 m -108.1 111.03 22.86 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-N 116.064 -0.517 . . . . 0.79 109.715 175.321 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 138' ' ' ARG . . . . . 0.551 HH12 HG21 ' A' ' 41' ' ' VAL . 7.7 ttt180 -96.87 120.61 37.53 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 109.077 -0.712 . . . . 1.84 109.077 179.385 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 91.3 m-85 -93.51 111.02 22.6 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.166 0.508 . . . . 0.64 111.063 -172.055 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 140' ' ' TYR . . . . . 0.444 ' HB2' ' HB3' ' A' ' 125' ' ' LEU . 93.6 m-85 -103.78 121.77 43.72 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.519 -0.764 . . . . 0.6 110.384 178.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 141' ' ' LYS . . . . . 0.6 ' HD2' ' O ' ' A' ' 142' ' ' LYS . 5.0 tmmm? -101.76 152.99 20.21 Favored 'General case' 0 N--CA 1.436 -1.166 0 N-CA-C 107.423 -1.325 . . . . 1.92 107.423 179.424 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 142' ' ' LYS . . . . . 0.6 ' O ' ' HD2' ' A' ' 141' ' ' LYS . 80.9 tttt -50.89 166.23 0.09 Allowed 'General case' 0 CA--C 1.547 0.83 0 CA-C-O 121.719 0.771 . . . . 2.13 112.253 179.671 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 143' ' ' GLN . . . . . 0.563 ' OE1' ' HB3' ' A' ' 12' ' ' LYS . 7.5 mm100 . . . . . 0 C--O 1.247 0.966 0 O-C-N 121.099 -1.001 . . . . 1.46 110.59 163.007 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.6 m . . . . . 0 C--O 1.235 0.327 0 N-CA-C 109.654 -0.498 . . . . 0.99 109.654 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.559 HD21 HD12 ' A' ' 100' ' ' LEU . 0.4 OUTLIER -57.17 118.81 26.7 Favored Pre-proline 0 C--O 1.233 0.216 0 O-C-N 123.36 0.413 . . . . 0.59 111.808 -170.179 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 4' ' ' PRO . . . . . 0.528 ' HD2' HD23 ' A' ' 3' ' ' LEU . 27.8 Cg_exo -59.82 131.06 37.73 Favored 'Trans proline' 0 N--CA 1.461 -0.432 0 C-N-CA 122.743 2.295 . . . . 0.61 111.012 172.221 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' ASP . . . . . 0.523 ' HA ' HD12 ' A' ' 8' ' ' LEU . 7.9 p-10 -56.57 -22.04 30.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.063 -0.517 . . . . 2.19 111.72 -179.297 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 34.9 ttmt -59.02 -22.46 60.71 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 116.091 -0.504 . . . . 2.53 111.993 176.218 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -99.32 2.86 45.8 Favored 'General case' 0 C--N 1.331 -0.198 0 O-C-N 122.086 -0.384 . . . . 0.6 111.495 -179.701 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.523 HD12 ' HA ' ' A' ' 5' ' ' ASP . 97.3 mt -97.56 151.72 19.76 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.451 0.643 . . . . 0.46 111.648 -173.332 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.417 ' HA3' ' HE3' ' A' ' 142' ' ' LYS . . . 121.04 173.66 14.76 Favored Glycine 0 N--CA 1.442 -0.94 0 CA-C-N 114.972 -1.013 . . . . 0.52 111.681 -178.826 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 12.2 m -99.16 125.72 44.78 Favored 'General case' 0 N--CA 1.444 -0.745 0 N-CA-C 109.528 -0.545 . . . . 1.05 109.528 176.504 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 61.5 m-85 -118.36 129.63 55.54 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.311 -0.404 . . . . 0.47 111.016 -177.045 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.65 ' HB3' ' NE2' ' A' ' 143' ' ' GLN . 21.6 ptmt -97.72 134.72 40.52 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 120.088 -0.645 . . . . 2.19 110.685 172.018 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.447 ' HA ' ' HA ' ' A' ' 140' ' ' TYR . 6.5 tt -55.64 120.61 7.52 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 116.247 -0.433 . . . . 1.14 110.474 178.217 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -90.49 -53.08 4.59 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.958 -0.564 . . . . 2.08 110.369 -178.325 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 23.3 ptt-85 -143.3 159.84 41.6 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.951 0.405 . . . . 3.36 110.107 179.108 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -132.87 137.29 46.64 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 115.693 -0.685 . . . . 1.19 110.103 -172.531 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -140.31 124.56 17.71 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 111.899 0.333 . . . . 2.66 111.899 -173.215 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 67.41 20.04 9.97 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 123.501 0.721 . . . . 0.76 111.796 172.452 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.4 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 19.5 t80 -75.6 -38.54 58.99 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.643 -0.708 . . . . 0.49 110.835 -176.065 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.43 ' O ' ' HG3' ' A' ' 24' ' ' LYS . 10.5 p-10 -64.28 -42.13 96.57 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 110.259 -0.275 . . . . 2.04 110.259 178.079 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 35.9 mm-40 -52.28 -45.14 65.35 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-O 120.914 0.388 . . . . 1.79 110.601 173.819 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 60.4 t80 -59.46 -42.23 91.52 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.552 -0.749 . . . . 0.57 111.06 176.198 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.4 ' HG ' ' O ' ' A' ' 19' ' ' PHE . 82.8 mt -64.29 -40.1 95.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.943 0.402 . . . . 0.37 110.889 -175.83 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.444 ' HG2' ' NH1' ' A' ' 33' ' ' ARG . 89.3 mttt -62.46 -50.9 69.6 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.795 -0.639 . . . . 1.88 109.819 178.242 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.417 ' HB1' ' HB2' ' A' ' 132' ' ' LYS . . . -60.45 -37.03 79.65 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 114.938 -1.028 . . . . 0.44 111.343 178.114 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.533 ' HA ' ' CD1' ' A' ' 131' ' ' TRP . 7.8 tpt180 -73.23 -8.87 57.7 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.04 -0.527 . . . . 1.29 111.452 -177.343 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 97.04 25.84 10.9 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.305 -0.95 . . . . 0.62 113.466 174.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 82.4 m-85 -96.75 112.59 24.28 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.161 -0.681 . . . . 0.64 109.161 173.363 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -71.25 -59.07 5.17 Favored Glycine 0 N--CA 1.449 -0.452 0 CA-C-N 115.141 -0.936 . . . . 1.54 113.764 -170.776 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 67.0 t90 -155.07 -56.41 0.1 Allowed 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 117.322 0.561 . . . . 1.18 112.092 -178.727 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.83 ' H ' HD12 ' A' ' 31' ' ' ILE . 3.8 mp -55.4 -50.2 67.36 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.642 0 CA-C-O 121.559 0.695 . . . . 2.16 109.871 -173.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.51 ' HA ' ' CG2' ' A' ' 35' ' ' VAL . 69.5 mmm -64.23 -31.47 72.68 Favored 'General case' 0 N--CA 1.433 -1.289 0 CA-C-N 114.959 -1.019 . . . . 0.97 111.287 -177.374 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.444 ' NH1' ' HG2' ' A' ' 24' ' ' LYS . 14.2 mtm180 -69.72 -22.19 63.41 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 120.473 -0.491 . . . . 1.87 110.19 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.54 ' O ' HD23 ' A' ' 38' ' ' LEU . 25.7 mm-40 -81.08 -30.4 34.73 Favored 'General case' 0 N--CA 1.455 -0.186 0 CA-C-N 116.215 -0.448 . . . . 1.97 110.926 178.008 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.51 ' CG2' ' HA ' ' A' ' 32' ' ' MET . 4.3 m -88.22 -55.01 6.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 N-CA-C 111.7 0.259 . . . . 0.68 111.7 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.501 HG13 ' O ' ' A' ' 32' ' ' MET . 66.1 mt -48.0 -46.93 12.83 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.398 0 N-CA-C 113.044 0.757 . . . . 0.51 113.044 -179.448 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 48.4 mtmt -74.53 -22.95 58.76 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 112.288 0.477 . . . . 0.97 112.288 -174.796 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.54 HD23 ' O ' ' A' ' 34' ' ' GLN . 4.5 mm? -90.63 -6.71 54.25 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.069 0.461 . . . . 2.08 110.919 -176.932 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.712 ' HA ' ' OG1' ' A' ' 63' ' ' THR . . . -83.2 109.96 17.65 Favored 'General case' 0 N--CA 1.442 -0.859 0 CA-C-N 115.842 -0.617 . . . . 1.03 110.659 176.406 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.68 ' O ' ' HA ' ' A' ' 62' ' ' THR . . . -65.78 139.58 39.09 Favored Glycine 0 N--CA 1.447 -0.603 0 N-CA-C 110.633 -0.987 . . . . 0.84 110.633 175.021 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 22.0 t -117.33 123.17 71.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-O 121.166 0.508 . . . . 1.3 111.738 -172.514 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 58.0 m -116.21 117.13 29.17 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.63 -0.714 . . . . 0.45 109.666 174.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.582 ' HE3' ' ND2' ' A' ' 60' ' ' ASN . 40.1 mmtm -99.3 130.66 45.6 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.336 -0.393 . . . . 0.79 110.016 -179.004 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.515 ' O ' ' HG2' ' A' ' 58' ' ' MET . 36.6 ttmt -130.34 127.93 40.44 Favored 'General case' 0 C--N 1.32 -0.679 0 C-N-CA 121.015 -0.274 . . . . 1.96 111.133 -176.677 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 77.2 m-85 -122.85 132.69 54.31 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.361 -0.607 . . . . 0.54 109.361 176.314 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 12.8 ptm180 -162.9 171.83 16.02 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.108 0.48 . . . . 3.17 111.558 -178.694 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 -67.87 146.36 53.73 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.116 -0.947 . . . . 1.85 108.913 173.011 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -52.71 141.52 20.82 Favored 'General case' 0 CA--C 1.512 -0.489 0 CA-C-O 121.618 0.723 . . . . 0.87 111.069 -179.238 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.88 -31.95 69.05 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 114.13 -1.395 . . . . 1.48 112.781 -168.85 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.642 ' OG ' ' HE2' ' A' ' 52' ' ' LYS . 2.5 p -78.87 15.23 1.12 Allowed 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.353 0.501 . . . . 2.37 112.353 178.727 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 65.09 43.46 95.62 Favored Glycine 0 C--N 1.331 0.252 0 C-N-CA 121.127 -0.559 . . . . 1.91 113.112 177.297 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.642 ' HE2' ' OG ' ' A' ' 50' ' ' SER . 51.7 mtmt -111.7 131.11 22.53 Favored Pre-proline 0 C--N 1.322 -0.606 0 CA-C-O 120.515 0.198 . . . . 3.17 110.725 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -76.72 161.17 33.96 Favored 'Trans proline' 0 N--CA 1.462 -0.355 0 C-N-CA 122.759 2.306 . . . . 1.84 111.781 177.255 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 65.71 5.9 3.59 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-O 121.563 0.697 . . . . 2.44 110.52 175.425 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.412 ' HD3' ' HA ' ' A' ' 55' ' ' ARG . 22.2 mmt180 -137.23 123.22 20.23 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 114.84 -1.073 . . . . 4.1 108.334 175.395 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.424 ' CZ ' ' HB2' ' A' ' 3' ' ' LEU . 97.3 m-85 -116.43 165.32 13.36 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-O 121.298 0.57 . . . . 0.97 111.966 -172.942 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -123.04 130.92 53.42 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.022 -0.99 . . . . 1.1 108.45 177.354 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.55 ' SD ' ' HD2' ' A' ' 69' ' ' HIS . 1.5 tmt? -140.19 138.11 34.89 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 109.92 -0.4 . . . . 0.98 109.92 -174.573 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -133.34 145.84 50.76 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.182 0.515 . . . . 1.11 111.987 -176.247 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.582 ' ND2' ' HE3' ' A' ' 43' ' ' LYS . 0.6 OUTLIER -118.32 73.75 0.92 Allowed 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 108.527 -0.916 . . . . 1.17 108.527 176.702 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -72.8 129.61 38.57 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.484 -0.325 . . . . 1.67 110.347 -176.134 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.68 ' HA ' ' O ' ' A' ' 40' ' ' GLY . 55.6 p -137.14 -177.16 4.64 Favored 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 109.795 -0.446 . . . . 0.45 109.795 179.268 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.712 ' OG1' ' HA ' ' A' ' 39' ' ' ALA . 27.7 p -95.29 -16.8 22.17 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.967 0.413 . . . . 0.54 110.849 179.289 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 25.4 tptp -106.26 -20.1 13.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.045 -0.525 . . . . 2.24 110.507 -176.514 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.69 ' HG3' ' H ' ' A' ' 66' ' ' ASP . 32.4 tptt -143.59 -145.39 0.17 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.832 0.349 . . . . 1.82 110.357 -178.012 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.69 ' H ' ' HG3' ' A' ' 65' ' ' LYS . 17.5 t70 160.3 119.29 0.0 OUTLIER 'General case' 0 C--N 1.316 -0.858 0 C-N-CA 124.469 1.108 . . . . 2.12 109.459 -168.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.504 HG22 ' O ' ' A' ' 81' ' ' GLU . 45.2 p -122.46 160.5 25.39 Favored 'General case' 0 C--N 1.312 -1.06 0 CA-C-N 116.008 -0.542 . . . . 0.56 109.971 175.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 3.8 t-160 -143.76 88.15 1.97 Allowed 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.212 0.53 . . . . 1.95 110.266 178.072 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.55 ' HD2' ' SD ' ' A' ' 58' ' ' MET . 13.3 m-70 -76.85 85.1 3.43 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.145 -0.687 . . . . 0.39 109.145 178.212 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.27 131.7 37.28 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 112.436 0.532 . . . . 2.3 112.436 -176.202 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 63.87 48.97 2.98 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.154 -0.93 . . . . 2.07 112.157 168.371 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' TRP . . . . . 0.454 ' HE1' ' CB ' ' A' ' 58' ' ' MET . 69.3 p-90 -104.45 159.25 15.88 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.003 0.43 . . . . 0.43 110.48 179.151 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.628 ' O ' ' HB3' ' A' ' 76' ' ' GLU . . . -134.24 156.55 48.19 Favored 'General case' 0 C--N 1.317 -0.833 0 N-CA-C 109.329 -0.619 . . . . 0.55 109.329 171.911 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.644 HD13 ' H ' ' A' ' 74' ' ' LEU . 0.0 OUTLIER -66.9 142.94 57.12 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-O 121.735 0.779 . . . . 1.71 110.237 173.058 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 78.35 3.66 86.11 Favored Glycine 0 C--N 1.315 -0.628 0 CA-C-N 114.712 -1.131 . . . . 0.59 111.85 -170.519 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.628 ' HB3' ' O ' ' A' ' 73' ' ' ALA . 8.9 tp10 -113.56 156.49 23.52 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-O 120.87 0.367 . . . . 2.37 110.475 -178.283 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.469 ' HA ' ' HA ' ' A' ' 91' ' ' THR . 1.1 pt-20 -135.51 139.58 44.1 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 108.86 -0.792 . . . . 1.4 108.86 -179.191 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 31.6 p90 -143.56 157.77 44.17 Favored 'General case' 0 C--N 1.316 -0.879 0 O-C-N 122.321 -0.237 . . . . 0.57 110.472 179.291 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 32.6 tt0 -88.32 138.35 31.52 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.666 -0.494 . . . . 1.95 109.666 177.869 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.485 ' O ' ' HA ' ' A' ' 87' ' ' GLN . 50.0 t0 -159.63 164.99 33.65 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.357 -0.383 . . . . 1.26 110.023 -174.564 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.504 ' O ' HG22 ' A' ' 67' ' ' THR . 35.4 tt0 -100.51 103.58 14.92 Favored 'General case' 0 CA--C 1.511 -0.536 0 N-CA-C 108.572 -0.899 . . . . 2.13 108.572 179.37 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.494 ' HB2' HD11 ' A' ' 90' ' ' ILE . . . -82.76 179.13 7.87 Favored 'General case' 0 C--N 1.311 -1.099 0 CA-C-N 114.569 -1.196 . . . . 0.95 112.566 -171.391 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.574 HD22 ' H ' ' A' ' 83' ' ' LEU . 2.9 mm? -54.69 -29.47 53.02 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 121.425 0.631 . . . . 1.34 110.097 178.303 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -68.99 2.81 2.4 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 114.607 -1.179 . . . . 1.55 112.302 -177.016 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 24.2 m 68.18 19.33 9.16 Favored 'General case' 0 C--O 1.232 0.182 0 C-N-CA 122.948 0.499 . . . . 1.21 112.177 173.145 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 15.4 p -129.2 165.44 21.34 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.381 -0.372 . . . . 0.93 110.088 174.418 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' GLN . . . . . 0.485 ' HA ' ' O ' ' A' ' 80' ' ' ASP . 0.0 OUTLIER -110.89 121.9 46.51 Favored 'General case' 0 CA--C 1.509 -0.604 0 N-CA-C 108.851 -0.796 . . . . 1.88 108.851 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 88' ' ' HIS . . . . . 0.558 ' CB ' ' HA ' ' A' ' 106' ' ' LYS . 17.6 p80 -152.2 -178.3 6.71 Favored 'General case' 0 C--N 1.31 -1.139 0 CA-C-N 115.576 -0.738 . . . . 1.04 110.045 -174.434 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.435 ' H ' HG13 ' A' ' 107' ' ' VAL . 39.2 ttpt -73.42 141.38 46.94 Favored 'General case' 0 C--N 1.32 -0.7 0 O-C-N 123.535 0.522 . . . . 1.49 109.762 179.652 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.494 HD11 ' HB2' ' A' ' 82' ' ' ALA . 49.0 mt -138.96 118.36 13.89 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.033 0 CA-C-N 115.834 -0.621 . . . . 0.54 109.939 176.535 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.469 ' HA ' ' HA ' ' A' ' 77' ' ' GLU . 11.0 m -108.04 137.96 45.13 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.557 -0.747 . . . . 0.43 110.959 -176.232 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 32.4 m-85 -113.15 143.01 45.1 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 108.921 -0.77 . . . . 0.6 108.921 176.037 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -165.58 153.03 10.59 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 120.63 0.253 . . . . 1.69 110.34 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.404 HD22 ' HG ' ' A' ' 100' ' ' LEU . 1.9 mm? -95.73 114.32 26.04 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.349 0.595 . . . . 1.12 109.481 176.796 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 52.0 tttm -86.26 -47.48 9.38 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.328 -0.851 . . . . 3.03 109.712 -174.119 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -134.37 167.53 22.38 Favored Pre-proline 0 C--N 1.318 -0.774 0 N-CA-C 108.107 -1.071 . . . . 1.79 108.107 176.839 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_exo -65.39 -0.97 4.03 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.73 2.287 . . . . 0.98 112.35 -177.665 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 66.6 t30 -143.21 33.14 1.34 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.844 -0.616 . . . . 2.32 109.796 177.795 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 68.4 m -154.57 111.8 3.38 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-O 121.098 0.475 . . . . 0.56 112.012 179.666 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.559 HD12 HD21 ' A' ' 3' ' ' LEU . 1.3 tt -95.11 133.52 38.84 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.439 -0.948 . . . . 1.1 108.439 174.199 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 10.6 p -109.4 128.73 55.36 Favored 'General case' 0 C--N 1.323 -0.583 0 O-C-N 121.271 -0.893 . . . . 0.41 111.464 179.79 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 48.7 tt0 -112.32 103.24 11.36 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.457 -0.792 . . . . 1.31 109.331 176.283 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' THR . . . . . 0.405 ' O ' ' HA ' ' A' ' 90' ' ' ILE . 24.8 m -97.58 112.08 24.09 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.109 0.481 . . . . 0.51 111.059 -173.722 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 104' ' ' HIS . . . . . 0.422 ' HB3' ' CE1' ' A' ' 88' ' ' HIS . 16.1 m170 -92.19 98.03 11.27 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.054 -0.521 . . . . 1.69 110.139 178.102 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.554 ' HA ' HG12 ' A' ' 113' ' ' VAL . 10.5 mt -100.59 109.89 26.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-O 121.322 0.582 . . . . 0.75 111.327 177.321 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.558 ' HA ' ' CB ' ' A' ' 88' ' ' HIS . 96.9 mttt -63.48 114.36 3.85 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 114.998 -1.001 . . . . 1.61 110.839 177.406 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.435 HG13 ' H ' ' A' ' 89' ' ' LYS . 17.3 m -61.51 -22.13 27.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.102 -0.954 . . . . 1.32 111.35 178.484 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 108' ' ' ASP . . . . . 0.54 ' OD2' ' HB3' ' A' ' 106' ' ' LYS . 10.6 p-10 -81.12 -44.09 18.44 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.935 -0.575 . . . . 2.5 110.427 178.426 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -141.7 93.62 7.6 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.256 0.551 . . . . 2.39 110.577 175.89 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -73.22 6.53 2.56 Favored 'Trans proline' 0 N--CA 1.464 -0.254 0 C-N-CA 123.467 2.778 . . . . 0.9 112.438 -179.278 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 30.6 p -94.61 -13.99 25.4 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.399 0.619 . . . . 1.47 110.197 173.825 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -110.37 43.67 1.36 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.418 -0.81 . . . . 1.59 109.33 -179.247 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.554 HG12 ' HA ' ' A' ' 105' ' ' ILE . 22.9 m -79.61 179.72 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.564 -0.744 . . . . 1.6 111.874 -178.58 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.44 ' HB2' ' NH1' ' A' ' 26' ' ' ARG . 8.0 tp10 -160.09 154.47 23.7 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.811 -0.631 . . . . 2.78 109.682 175.712 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 23.3 m -136.17 133.08 36.78 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.082 0.468 . . . . 0.53 111.086 -178.49 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 13.6 m-30 -98.92 154.37 18.1 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 107.725 -1.213 . . . . 0.96 107.725 173.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 117' ' ' GLU . . . . . 0.516 ' HB2' ' HB3' ' A' ' 128' ' ' LYS . 33.7 mt-10 -131.88 113.54 13.58 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.245 -1.02 . . . . 1.27 108.245 175.276 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 83.7 m-85 -89.84 103.32 15.98 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-O 121.226 0.536 . . . . 0.6 110.384 -178.635 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 12.4 ttp180 -111.74 142.77 43.66 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.277 -0.874 . . . . 3.41 109.27 178.744 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 8.6 tpt180 -96.2 135.46 37.98 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 109.618 -0.512 . . . . 1.96 109.618 -179.642 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -131.35 86.19 2.33 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.395 0.616 . . . . 1.08 109.876 175.798 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 70.02 -112.18 4.24 Favored Glycine 0 N--CA 1.443 -0.873 0 CA-C-N 115.327 -0.852 . . . . 0.92 112.284 179.35 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -96.29 3.45 53.01 Favored 'General case' 0 C--N 1.323 -0.586 0 O-C-N 122.791 -0.241 . . . . 2.31 110.976 -177.404 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 94.9 m-85 -119.82 144.68 47.21 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.158 0.504 . . . . 0.67 111.568 -178.493 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -96.94 125.91 41.7 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 107.152 -1.425 . . . . 1.03 107.152 172.332 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 59.4 t -116.69 127.18 74.37 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.831 0 CA-C-O 121.259 0.552 . . . . 0.47 110.658 -170.567 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 127' ' ' MET . . . . . 0.477 ' HB3' ' HB2' ' A' ' 138' ' ' ARG . 20.0 ttm -97.97 143.29 28.69 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 115.464 -0.789 . . . . 1.08 110.351 177.391 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 128' ' ' LYS . . . . . 0.516 ' HB3' ' HB2' ' A' ' 117' ' ' GLU . 5.4 tppp? -119.15 126.61 52.0 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 109.33 -0.618 . . . . 2.2 109.33 174.498 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 129' ' ' MET . . . . . 0.497 ' HB2' ' CG2' ' A' ' 136' ' ' THR . 59.9 mtp -128.44 135.59 49.69 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 107.816 -1.179 . . . . 1.11 107.816 174.018 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 3.4 p -146.43 122.58 10.82 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 121.231 0.539 . . . . 1.06 111.954 -177.017 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 131' ' ' TRP . . . . . 0.649 ' CD1' ' HG2' ' A' ' 132' ' ' LYS . 64.2 t-105 -139.82 132.72 29.28 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.092 -0.958 . . . . 0.76 109.45 179.33 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 132' ' ' LYS . . . . . 0.649 ' HG2' ' CD1' ' A' ' 131' ' ' TRP . 75.5 mmtt 57.38 34.37 24.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.697 -0.683 . . . . 1.96 110.882 -177.424 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 75.99 5.61 80.6 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.873 -0.68 . . . . 0.53 113.539 179.679 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 51.4 t -101.97 107.3 21.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 N-CA-C 110.043 -0.355 . . . . 0.43 110.043 177.527 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 135' ' ' SER . . . . . 0.4 ' HA ' ' O ' ' A' ' 129' ' ' MET . 8.2 m -95.61 153.19 17.84 Favored 'General case' 0 N--CA 1.436 -1.158 0 CA-C-O 121.28 0.562 . . . . 1.14 111.194 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 136' ' ' THR . . . . . 0.497 ' CG2' ' HB2' ' A' ' 129' ' ' MET . 2.9 t -137.12 136.62 38.46 Favored 'General case' 0 C--N 1.313 -1.015 0 CA-C-N 115.286 -0.87 . . . . 0.4 109.833 174.537 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 38.3 m -107.86 114.8 29.01 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.179 0.514 . . . . 0.79 109.877 177.628 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 138' ' ' ARG . . . . . 0.534 HH11 ' HG3' ' A' ' 138' ' ' ARG . 7.9 mmm-85 -98.46 113.4 25.38 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 108.846 -0.798 . . . . 1.84 108.846 -179.274 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 94.9 m-85 -94.01 112.58 24.43 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.111 0.482 . . . . 0.64 111.078 -174.801 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 140' ' ' TYR . . . . . 0.447 ' HA ' ' HA ' ' A' ' 13' ' ' LEU . 74.1 m-85 -105.5 130.76 53.5 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.505 -0.77 . . . . 0.6 109.789 178.044 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 141' ' ' LYS . . . . . 0.447 ' HG3' ' O ' ' A' ' 142' ' ' LYS . 10.5 ptmt -98.18 164.52 12.29 Favored 'General case' 0 C--N 1.313 -0.994 0 N-CA-C 107.181 -1.414 . . . . 1.92 107.181 171.81 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 142' ' ' LYS . . . . . 0.447 ' O ' ' HG3' ' A' ' 141' ' ' LYS . 21.5 tptm -54.11 171.9 0.1 Allowed 'General case' 0 C--N 1.314 -0.956 0 CA-C-O 121.452 0.644 . . . . 2.13 111.207 172.884 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 143' ' ' GLN . . . . . 0.65 ' NE2' ' HB3' ' A' ' 12' ' ' LYS . 60.7 mm-40 . . . . . 0 C--O 1.248 0.98 0 O-C-N 121.252 -0.905 . . . . 1.46 109.807 158.58 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.9 m . . . . . 0 N--CA 1.451 -0.388 0 CA-C-O 120.803 0.335 . . . . 0.99 110.263 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.545 HD23 ' HD2' ' A' ' 4' ' ' PRO . 0.4 OUTLIER -58.73 120.46 45.96 Favored Pre-proline 0 C--N 1.324 -0.508 0 CA-C-N 115.589 -0.732 . . . . 0.59 110.772 -176.746 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 4' ' ' PRO . . . . . 0.545 ' HD2' HD23 ' A' ' 3' ' ' LEU . 76.8 Cg_exo -51.8 119.92 6.34 Favored 'Trans proline' 0 N--CA 1.461 -0.385 0 C-N-CA 122.774 2.316 . . . . 0.61 111.667 173.51 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 5' ' ' ASP . . . . . 0.479 ' HA ' HD12 ' A' ' 8' ' ' LEU . 28.8 t70 -51.64 -27.33 11.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.528 -0.76 . . . . 2.19 111.967 -179.356 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.401 ' HB3' ' HG3' ' A' ' 120' ' ' ARG . 44.6 mmtm -56.61 -30.78 63.62 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.045 0.387 . . . . 2.53 112.045 176.832 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -84.49 -8.98 58.76 Favored 'General case' 0 C--O 1.225 -0.212 0 O-C-N 122.08 -0.388 . . . . 0.6 110.792 -177.561 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.479 HD12 ' HA ' ' A' ' 5' ' ' ASP . 91.4 mt -92.89 133.9 35.63 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.112 0.482 . . . . 0.46 111.125 -170.398 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 149.0 175.08 21.14 Favored Glycine 0 N--CA 1.446 -0.675 0 CA-C-N 115.358 -0.837 . . . . 0.52 111.986 -179.342 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 4.6 m -111.47 115.45 29.24 Favored 'General case' 0 N--CA 1.446 -0.657 0 N-CA-C 109.187 -0.671 . . . . 1.05 109.187 177.352 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 61.1 m-85 -115.3 131.2 57.0 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 112.9 0.704 . . . . 0.47 112.9 -169.242 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.472 ' HG2' ' CD ' ' A' ' 143' ' ' GLN . 18.5 mmtp -82.42 128.08 33.91 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 115.878 -0.601 . . . . 2.19 110.893 167.304 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.427 HD12 ' HB ' ' A' ' 41' ' ' VAL . 5.5 tt -55.41 121.79 9.76 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.309 -0.405 . . . . 1.14 110.035 171.466 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.434 ' HB2' ' HG3' ' A' ' 141' ' ' LYS . 7.2 tp10 -93.29 -54.64 3.61 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-O 120.645 0.26 . . . . 2.08 110.764 179.588 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 5.8 ptp180 -159.05 178.84 9.62 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 120.888 0.375 . . . . 3.36 111.495 -175.127 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -145.62 155.01 42.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.708 -0.678 . . . . 1.19 110.073 177.832 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -95.47 -51.83 4.4 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.584 0.587 . . . . 2.66 112.584 -175.206 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -146.83 52.39 1.1 Allowed 'General case' 0 C--O 1.238 0.463 0 CA-C-O 121.96 0.886 . . . . 0.76 110.517 -176.511 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.72 ' HE1' ' HE2' ' A' ' 129' ' ' MET . 11.0 t80 -77.5 -36.14 52.9 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.244 -0.889 . . . . 0.49 110.974 -172.738 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -57.08 -57.41 12.7 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.531 -0.304 . . . . 2.04 111.486 178.502 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -59.11 -36.67 75.57 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.772 -0.194 . . . . 1.79 111.271 178.479 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.563 ' O ' ' HB2' ' A' ' 26' ' ' ARG . 78.3 t80 -56.24 -41.07 75.14 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.894 0.378 . . . . 0.57 110.262 175.308 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.493 ' HG ' ' O ' ' A' ' 19' ' ' PHE . 96.0 mt -68.0 -38.78 83.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.049 -0.523 . . . . 0.37 110.724 -179.063 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 39.4 mttp -63.47 -52.49 61.13 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-O 121.071 0.462 . . . . 1.88 110.302 178.204 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.06 -37.71 80.69 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.708 -0.678 . . . . 0.44 111.13 178.715 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.563 ' HB2' ' O ' ' A' ' 22' ' ' TYR . 0.3 OUTLIER -65.84 -13.39 59.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.845 -0.616 . . . . 1.29 110.942 -178.552 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 93.7 20.8 30.5 Favored Glycine 0 N--CA 1.447 -0.584 0 C-N-CA 120.628 -0.796 . . . . 0.62 112.717 179.459 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.401 ' CD1' ' HB3' ' A' ' 26' ' ' ARG . 60.5 m-85 -93.21 125.26 37.71 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.995 0.426 . . . . 0.64 110.283 177.099 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -78.41 -178.27 49.54 Favored Glycine 0 N--CA 1.443 -0.853 0 C-N-CA 120.685 -0.769 . . . . 1.54 111.688 -177.844 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.493 ' O ' ' HG2' ' A' ' 34' ' ' GLN . 88.2 t90 -50.64 -49.33 57.18 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 122.536 0.334 . . . . 1.18 111.717 -176.88 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.402 HD13 ' HA ' ' A' ' 31' ' ' ILE . 1.9 mm -56.4 -56.79 11.66 Favored 'Isoleucine or valine' 0 C--O 1.232 0.142 0 N-CA-C 111.881 0.326 . . . . 2.16 111.881 -178.855 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 66.1 mmm -60.84 -37.43 82.04 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.672 0.272 . . . . 0.97 110.924 179.58 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.432 HH11 ' HD3' ' A' ' 33' ' ' ARG . 39.9 ttp-105 -69.4 -20.53 63.81 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.117 -0.492 . . . . 1.87 110.425 -178.483 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.493 ' HG2' ' O ' ' A' ' 30' ' ' TRP . 27.4 mm-40 -83.43 -34.7 25.41 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.194 -0.457 . . . . 1.97 110.455 175.402 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.437 HG13 ' HE3' ' A' ' 64' ' ' LYS . 75.0 t -76.59 -67.49 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-O 121.179 0.514 . . . . 0.68 111.101 -179.555 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 97.0 mt -38.59 -58.75 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 N-CA-C 114.962 1.467 . . . . 0.51 114.962 -176.519 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.41 ' HG2' ' O ' ' A' ' 33' ' ' ARG . 60.4 pttt -84.1 0.03 50.03 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.098 -0.641 . . . . 0.97 112.052 -170.82 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.509 ' C ' HD13 ' A' ' 38' ' ' LEU . 1.1 tm? -93.43 -37.13 12.13 Favored 'General case' 0 N--CA 1.442 -0.836 0 N-CA-C 109.149 -0.685 . . . . 2.08 109.149 178.31 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -59.55 124.89 21.52 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 115.481 -0.781 . . . . 1.03 111.472 -179.57 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.496 ' O ' ' HA ' ' A' ' 62' ' ' THR . . . -68.96 139.52 32.88 Favored Glycine 0 N--CA 1.446 -0.643 0 N-CA-C 110.847 -0.901 . . . . 0.84 110.847 174.93 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.427 ' HB ' HD12 ' A' ' 13' ' ' LEU . 54.5 t -122.85 127.31 74.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-O 121.28 0.562 . . . . 1.3 111.427 -174.329 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.444 HG23 HE21 ' A' ' 143' ' ' GLN . 44.3 m -106.0 106.18 16.57 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.307 -0.86 . . . . 0.45 110.111 174.547 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 36.5 mmtm -81.42 122.11 27.09 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.327 -0.62 . . . . 0.79 109.327 175.176 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -129.8 117.06 19.64 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-O 120.834 0.35 . . . . 1.96 111.076 -172.768 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.412 ' HB2' ' HA ' ' A' ' 8' ' ' LEU . 58.5 m-85 -122.61 130.7 53.29 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.016 -0.538 . . . . 0.54 109.722 178.286 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.508 ' HG3' ' HB3' ' A' ' 57' ' ' ASP . 35.2 ptt180 -156.94 172.56 18.45 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.87 0.367 . . . . 3.17 111.231 -179.402 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ASN . . . . . 0.429 ' HA ' ' CD2' ' A' ' 56' ' ' TYR . 13.3 m120 -63.02 159.78 16.41 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.59 -0.732 . . . . 1.85 109.102 170.595 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.418 ' HA ' ' HB2' ' A' ' 57' ' ' ASP . . . -53.16 142.93 19.24 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 118.162 0.437 . . . . 0.87 111.906 -177.326 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -45.02 -60.47 2.06 Favored 'General case' 0 C--O 1.237 0.402 0 O-C-N 123.834 0.708 . . . . 1.48 112.833 -175.305 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 66.5 m -58.67 -42.44 88.44 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.489 0.661 . . . . 2.37 110.219 178.659 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 115.66 32.09 1.82 Allowed Glycine 0 N--CA 1.448 -0.502 0 CA-C-N 114.781 -1.099 . . . . 1.91 111.195 179.022 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 52.5 mtmt -87.19 127.69 58.24 Favored Pre-proline 0 C--N 1.322 -0.593 0 N-CA-C 109.501 -0.555 . . . . 3.17 109.501 -177.888 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.444 ' O ' ' HB2' ' A' ' 54' ' ' ASP . 26.3 Cg_endo -60.13 151.6 71.73 Favored 'Trans proline' 0 C--O 1.236 0.415 0 C-N-CA 123.032 2.488 . . . . 1.84 112.862 -175.908 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.444 ' HB2' ' O ' ' A' ' 53' ' ' PRO . 20.6 m-20 86.54 -58.8 0.05 Allowed 'General case' 0 CA--C 1.516 -0.334 0 O-C-N 124.689 1.243 . . . . 2.44 108.796 177.897 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.434 ' HD2' ' N ' ' A' ' 55' ' ' ARG . 4.7 mpt_? -68.38 137.86 54.89 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 114.892 -1.049 . . . . 4.1 112.111 177.316 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.429 ' CD2' ' HA ' ' A' ' 47' ' ' ASN . 43.6 m-85 -120.51 174.88 6.28 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.124 -0.943 . . . . 0.97 110.237 177.061 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.508 ' HB3' ' HG3' ' A' ' 46' ' ' ARG . 20.0 t70 -130.06 134.48 47.41 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.237 -0.653 . . . . 1.1 109.237 -177.673 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 1.6 tmt? -143.31 129.27 19.54 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.599 0.238 . . . . 0.98 110.397 -175.896 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.424 ' HG2' ' HA ' ' A' ' 68' ' ' HIS . 48.7 mt-10 -133.24 155.61 49.04 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.193 0.52 . . . . 1.11 111.876 -174.135 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.433 ' HB2' ' OG1' ' A' ' 67' ' ' THR . 54.0 m-80 -128.94 94.62 3.88 Favored 'General case' 0 CA--C 1.515 -0.366 0 CA-C-N 115.302 -0.863 . . . . 1.17 109.906 177.72 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.442 ' HB3' ' HB ' ' A' ' 42' ' ' THR . 63.1 tp -89.56 126.0 35.43 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 109.948 -0.39 . . . . 1.67 109.948 -179.876 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.496 ' HA ' ' O ' ' A' ' 40' ' ' GLY . 19.2 p -135.27 -174.17 3.54 Favored 'General case' 0 N--CA 1.451 -0.398 0 N-CA-C 109.736 -0.468 . . . . 0.45 109.736 -178.847 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 18.4 p -91.8 -20.49 21.44 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.936 0.398 . . . . 0.54 110.953 -178.206 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.437 ' HE3' HG13 ' A' ' 35' ' ' VAL . 75.9 mmtt -107.94 -33.87 7.08 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.919 0.39 . . . . 2.24 111.167 -173.507 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.691 ' HG3' ' H ' ' A' ' 66' ' ' ASP . 22.3 tptp -139.27 -142.27 0.15 Allowed 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 109.331 -0.618 . . . . 1.82 109.331 -178.923 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.691 ' H ' ' HG3' ' A' ' 65' ' ' LYS . 15.2 t70 160.55 129.51 0.0 OUTLIER 'General case' 0 C--N 1.308 -1.227 0 O-C-N 124.406 1.067 . . . . 2.12 109.677 -168.245 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.482 HG23 HD13 ' A' ' 83' ' ' LEU . 13.0 p -126.8 157.7 38.53 Favored 'General case' 0 C--N 1.314 -0.957 0 N-CA-C 108.584 -0.895 . . . . 0.56 108.584 168.442 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.424 ' HA ' ' HG2' ' A' ' 59' ' ' GLU . 0.3 OUTLIER -152.85 80.88 1.21 Allowed 'General case' 0 C--N 1.314 -0.96 0 CA-C-O 121.835 0.826 . . . . 1.95 110.391 -176.818 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -67.1 87.15 0.15 Allowed 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 114.429 -1.26 . . . . 0.39 109.453 178.629 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -87.93 127.75 35.37 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 112.854 0.687 . . . . 2.3 112.854 -177.693 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 17.2 t70 62.43 67.83 0.7 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 114.81 -1.086 . . . . 2.07 110.959 170.241 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 68.2 p-90 -119.21 162.11 19.24 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.824 -0.626 . . . . 0.43 110.991 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -124.62 146.34 49.13 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.081 -0.711 . . . . 0.55 109.081 171.777 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.739 HD13 ' H ' ' A' ' 74' ' ' LEU . 0.0 OUTLIER -61.84 140.19 58.29 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.757 0.789 . . . . 1.71 110.122 173.3 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 84.23 7.92 84.38 Favored Glycine 0 N--CA 1.444 -0.778 0 CA-C-N 114.871 -1.059 . . . . 0.59 111.88 -170.203 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -117.29 125.46 51.12 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-O 121.354 0.597 . . . . 2.37 111.412 -178.933 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.465 ' HA ' ' HA ' ' A' ' 91' ' ' THR . 42.4 tt0 -89.86 127.87 36.08 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.013 -0.994 . . . . 1.4 110.401 173.346 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 21.0 p90 -133.3 154.29 50.83 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.932 -0.577 . . . . 0.57 110.537 -178.536 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -94.13 145.86 24.39 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 110.01 -0.367 . . . . 1.95 110.01 177.784 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 41.9 t0 -152.3 168.14 26.38 Favored 'General case' 0 C--O 1.248 0.977 0 N-CA-C 110.029 -0.36 . . . . 1.26 110.029 -176.928 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.462 ' O ' HG22 ' A' ' 67' ' ' THR . 10.0 pt-20 -85.13 88.83 7.51 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-O 121.807 0.813 . . . . 2.13 109.829 -178.769 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.559 ' HB1' ' OD1' ' A' ' 84' ' ' ASP . . . -48.31 146.96 2.52 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 113.893 -1.503 . . . . 0.95 114.298 -169.044 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.482 HD13 HG23 ' A' ' 67' ' ' THR . 2.8 mm? -55.83 -36.67 67.75 Favored 'General case' 0 CA--C 1.517 -0.315 0 CA-C-N 115.32 -0.855 . . . . 1.34 108.754 170.545 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.559 ' OD1' ' HB1' ' A' ' 82' ' ' ALA . 6.2 p-10 -78.65 23.62 0.31 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 114.499 -1.228 . . . . 1.55 112.287 -177.752 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 48.0 m 61.44 29.04 18.27 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 115.748 -0.66 . . . . 1.21 112.532 170.038 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 71.8 p -128.67 -174.7 3.31 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.684 -0.487 . . . . 0.93 109.684 174.849 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' GLN . . . . . 0.439 ' OE1' ' HA ' ' A' ' 81' ' ' GLU . 13.5 mm100 -117.5 119.64 35.65 Favored 'General case' 0 C--N 1.31 -1.124 0 N-CA-C 108.011 -1.107 . . . . 1.88 108.011 172.939 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' HIS . . . . . 0.712 ' HA ' HG13 ' A' ' 107' ' ' VAL . 20.7 p80 -153.33 169.43 23.11 Favored 'General case' 0 C--N 1.316 -0.858 0 C-N-CA 118.373 -1.331 . . . . 1.04 113.243 179.313 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.404 ' HG2' ' O ' ' A' ' 105' ' ' ILE . 53.7 pttt -81.49 152.98 27.07 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 114.458 -1.246 . . . . 1.49 110.266 -174.366 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.46 ' HA ' ' HA ' ' A' ' 104' ' ' HIS . 67.6 mt -145.91 120.99 3.05 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 CA-C-N 115.18 -0.918 . . . . 0.54 110.077 -176.491 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.465 ' HA ' ' HA ' ' A' ' 77' ' ' GLU . 19.3 m -98.2 124.58 42.86 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-O 120.861 0.362 . . . . 0.43 110.367 175.28 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -102.12 124.08 47.09 Favored 'General case' 0 CA--C 1.506 -0.713 0 N-CA-C 108.157 -1.053 . . . . 0.6 108.157 174.387 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -143.3 138.37 29.49 Favored 'General case' 0 C--N 1.314 -0.949 0 C-N-CA 120.651 -0.419 . . . . 1.69 110.516 -171.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.482 HD22 ' HG ' ' A' ' 100' ' ' LEU . 1.8 mm? -87.34 116.23 25.29 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.281 -0.418 . . . . 1.12 109.915 176.269 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 53.6 tttm -89.92 -52.84 4.77 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.659 -0.7 . . . . 3.03 109.115 -176.739 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -133.98 165.4 36.96 Favored Pre-proline 0 C--N 1.32 -0.699 0 N-CA-C 107.895 -1.15 . . . . 1.79 107.895 174.677 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 13.2 Cg_exo -71.75 4.46 3.08 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.624 2.216 . . . . 0.98 111.312 178.884 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' ASN . . . . . 0.537 ' O ' ' HA ' ' A' ' 119' ' ' ARG . 5.1 t-20 -127.34 0.95 6.35 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.319 -0.855 . . . . 2.32 109.495 178.273 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 24.6 m -143.54 107.72 4.75 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-O 121.238 0.542 . . . . 0.56 112.039 -175.34 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.544 HD23 ' N ' ' A' ' 101' ' ' THR . 3.2 tt -91.77 143.39 26.58 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 107.386 -1.339 . . . . 1.1 107.386 172.59 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.544 ' N ' HD23 ' A' ' 100' ' ' LEU . 33.0 p -125.94 141.93 51.75 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 119.576 1.08 . . . . 0.41 112.476 -179.205 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.598 ' O ' ' HA ' ' A' ' 115' ' ' THR . 34.8 tt0 -112.05 109.76 19.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.418 -0.81 . . . . 1.31 109.695 172.703 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 54.3 m -103.22 101.43 11.37 Favored 'General case' 0 C--N 1.317 -0.808 0 N-CA-C 108.978 -0.749 . . . . 0.51 108.978 175.612 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' HIS . . . . . 0.46 ' HA ' ' HA ' ' A' ' 90' ' ' ILE . 0.8 OUTLIER -111.58 135.91 51.51 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-O 121.14 0.495 . . . . 1.69 110.714 -174.736 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.664 ' O ' ' HB2' ' A' ' 88' ' ' HIS . 48.7 mt -137.44 137.88 45.44 Favored 'Isoleucine or valine' 0 C--O 1.233 0.214 0 CA-C-N 115.231 -0.895 . . . . 0.75 111.278 -172.615 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.562 ' HB2' ' O ' ' A' ' 109' ' ' ASP . 34.1 mmtm -59.39 123.82 18.01 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.975 -0.557 . . . . 1.61 111.866 174.255 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.712 HG13 ' HA ' ' A' ' 88' ' ' HIS . 19.2 m -68.61 -27.97 38.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 115.832 -0.622 . . . . 1.32 110.209 171.559 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -72.16 -67.78 0.52 Allowed 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.356 -0.838 . . . . 2.5 109.97 177.626 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 109' ' ' ASP . . . . . 0.562 ' O ' ' HB2' ' A' ' 106' ' ' LYS . 6.8 p-10 -124.19 93.16 47.23 Favored Pre-proline 0 C--N 1.323 -0.571 0 CA-C-N 115.307 -0.86 . . . . 2.39 110.128 178.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 110' ' ' PRO . . . . . 0.457 ' HD2' ' HA ' ' A' ' 109' ' ' ASP . 51.4 Cg_endo -67.0 14.26 0.13 Allowed 'Trans proline' 0 C--O 1.233 0.247 0 C-N-CA 123.871 3.047 . . . . 0.9 113.865 -175.669 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 32.3 p -76.49 -22.5 54.43 Favored 'General case' 0 N--CA 1.443 -0.812 0 N-CA-C 109.427 -0.583 . . . . 1.47 109.427 172.225 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 112' ' ' ASP . . . . . 0.551 ' HB3' ' CG ' ' A' ' 106' ' ' LYS . 38.1 t70 -78.9 92.06 4.85 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.454 -0.794 . . . . 1.59 109.635 172.625 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.489 HG12 HG12 ' A' ' 105' ' ' ILE . 0.0 OUTLIER -117.16 124.35 72.91 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.608 0 CA-C-N 115.595 -0.729 . . . . 1.6 111.024 -178.983 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.419 ' HB3' ' CD2' ' A' ' 104' ' ' HIS . 40.8 tt0 -147.87 147.11 29.41 Favored 'General case' 0 C--N 1.317 -0.828 0 C-N-CA 120.144 -0.622 . . . . 2.78 111.578 -177.01 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 115' ' ' THR . . . . . 0.598 ' HA ' ' O ' ' A' ' 102' ' ' GLU . 31.6 m -135.52 127.24 29.12 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 115.848 -0.615 . . . . 0.53 110.986 -179.648 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 116' ' ' TYR . . . . . 0.422 ' CE2' ' HE1' ' A' ' 104' ' ' HIS . 18.6 m-85 -106.18 155.26 19.63 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 107.204 -1.406 . . . . 0.96 107.204 171.552 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 117' ' ' GLU . . . . . 0.527 ' HG2' HG22 ' A' ' 101' ' ' THR . 26.3 mt-10 -130.04 130.7 45.27 Favored 'General case' 0 N--CA 1.447 -0.596 0 N-CA-C 108.589 -0.893 . . . . 1.27 108.589 -175.742 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 50.8 m-85 -101.86 103.27 13.95 Favored 'General case' 0 C--N 1.316 -0.854 0 N-CA-C 109.814 -0.439 . . . . 0.6 109.814 -179.619 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 119' ' ' ARG . . . . . 0.537 ' HA ' ' O ' ' A' ' 98' ' ' ASN . 69.1 mtp85 -102.57 157.06 17.2 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.955 -0.566 . . . . 3.41 110.151 179.394 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 120' ' ' ARG . . . . . 0.663 ' NH2' ' HA ' ' A' ' 123' ' ' ASP . 6.4 mmm180 -117.65 118.26 31.61 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 120.949 0.404 . . . . 1.96 111.995 178.043 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -132.06 118.91 20.29 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.551 -0.75 . . . . 1.08 109.883 175.098 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 70.2 -116.57 6.77 Favored Glycine 0 N--CA 1.447 -0.567 0 N-CA-C 110.792 -0.923 . . . . 0.92 110.792 -174.575 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 123' ' ' ASP . . . . . 0.663 ' HA ' ' NH2' ' A' ' 120' ' ' ARG . 28.3 t70 -121.73 19.28 11.08 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.625 0.726 . . . . 2.31 109.515 172.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 124' ' ' TYR . . . . . 0.67 ' CE2' ' HB3' ' A' ' 141' ' ' LYS . 88.5 m-85 -102.75 133.77 47.25 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.635 -0.711 . . . . 0.67 111.073 -178.156 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.464 ' HB3' ' HB2' ' A' ' 140' ' ' TYR . 3.1 tm? -81.49 111.48 17.85 Favored 'General case' 0 N--CA 1.445 -0.715 0 N-CA-C 107.162 -1.421 . . . . 1.03 107.162 171.05 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 46.8 t -101.19 108.36 23.23 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.862 0 CA-C-O 121.046 0.451 . . . . 0.47 110.213 -171.226 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 127' ' ' MET . . . . . . . . . . . . . 10.3 ttm -81.43 123.96 29.03 Favored 'General case' 0 C--N 1.313 -0.983 0 CA-C-N 115.743 -0.662 . . . . 1.08 110.008 176.669 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 22.4 tptm -117.22 128.05 54.71 Favored 'General case' 0 C--N 1.315 -0.903 0 N-CA-C 108.703 -0.851 . . . . 2.2 108.703 178.424 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 129' ' ' MET . . . . . 0.72 ' HE2' ' HE1' ' A' ' 19' ' ' PHE . 7.2 ptm -150.1 135.54 18.17 Favored 'General case' 0 C--N 1.311 -1.077 0 N-CA-C 109.231 -0.655 . . . . 1.11 109.231 -175.478 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 1.8 m -140.77 136.92 32.99 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 120.905 0.383 . . . . 1.06 111.012 -176.818 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 131' ' ' TRP . . . . . 0.606 ' CD1' ' HD3' ' A' ' 132' ' ' LYS . 33.0 t-105 -141.32 125.33 17.2 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.892 -0.595 . . . . 0.76 110.09 -178.119 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 132' ' ' LYS . . . . . 0.606 ' HD3' ' CD1' ' A' ' 131' ' ' TRP . 13.9 mptt 48.9 45.19 22.48 Favored 'General case' 0 C--N 1.33 -0.283 0 O-C-N 123.695 0.622 . . . . 1.96 112.051 -179.118 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 82.65 -7.22 66.12 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.941 -0.647 . . . . 0.53 113.604 177.581 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 16.5 t -94.34 104.68 16.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 117.353 0.576 . . . . 0.43 110.055 178.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 1.3 m -99.46 150.22 22.41 Favored 'General case' 0 N--CA 1.441 -0.892 0 CA-C-N 116.019 -0.537 . . . . 1.14 110.684 -179.541 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 5.8 t -152.19 143.47 23.28 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.881 -0.6 . . . . 0.4 111.013 176.696 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 37.9 m -110.3 125.78 53.52 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.6 -0.727 . . . . 0.79 110.182 174.218 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 9.2 mtm180 -107.78 114.94 29.26 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.028 -0.73 . . . . 1.84 109.028 175.936 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 91.2 m-85 -91.47 121.03 32.81 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.124 -0.489 . . . . 0.64 111.344 -173.129 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 140' ' ' TYR . . . . . 0.464 ' HB2' ' HB3' ' A' ' 125' ' ' LEU . 61.0 m-85 -111.6 137.04 49.98 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.405 -0.816 . . . . 0.6 110.111 178.037 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 141' ' ' LYS . . . . . 0.67 ' HB3' ' CE2' ' A' ' 124' ' ' TYR . 0.0 OUTLIER -120.7 165.09 15.57 Favored 'General case' 0 C--O 1.208 -1.104 0 N-CA-C 107.755 -1.202 . . . . 1.92 107.755 174.024 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 60.0 mttp -49.13 164.47 0.07 Allowed 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 119.033 0.833 . . . . 2.13 112.685 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 143' ' ' GLN . . . . . 0.472 ' CD ' ' HG2' ' A' ' 12' ' ' LYS . 46.8 mm-40 . . . . . 0 C--O 1.25 1.095 0 O-C-N 121.299 -0.876 . . . . 1.46 110.495 165.748 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.3 m . . . . . 0 N--CA 1.45 -0.435 0 N-CA-C 109.596 -0.52 . . . . 0.99 109.596 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.59 HD23 ' HD2' ' A' ' 4' ' ' PRO . 0.4 OUTLIER -57.3 120.89 43.41 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-N 116.062 -0.517 . . . . 0.59 110.817 -176.655 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 4' ' ' PRO . . . . . 0.59 ' HD2' HD23 ' A' ' 3' ' ' LEU . 44.0 Cg_exo -56.18 123.81 14.75 Favored 'Trans proline' 0 N--CA 1.459 -0.512 0 C-N-CA 122.666 2.244 . . . . 0.61 111.015 174.293 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 5' ' ' ASP . . . . . 0.467 ' HA ' HD12 ' A' ' 8' ' ' LEU . 4.2 m-20 -53.04 -21.97 5.26 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.819 -0.628 . . . . 2.19 112.398 -178.374 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 52.2 mtmt -52.42 -32.22 38.16 Favored 'General case' 0 CA--C 1.532 0.255 0 N-CA-C 112.042 0.386 . . . . 2.53 112.042 176.317 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 30.3 m-85 -92.55 -2.12 56.42 Favored 'General case' 0 C--N 1.331 -0.21 0 O-C-N 122.2 -0.313 . . . . 0.6 111.743 -175.501 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.467 HD12 ' HA ' ' A' ' 5' ' ' ASP . 89.8 mt -95.19 142.08 28.04 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.071 0.462 . . . . 0.46 111.413 -170.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 136.38 174.78 13.49 Favored Glycine 0 N--CA 1.448 -0.558 0 CA-C-N 115.47 -0.786 . . . . 0.52 112.126 179.613 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.499 HG23 ' HG2' ' A' ' 44' ' ' LYS . 52.7 m -102.97 120.39 40.56 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.843 -0.429 . . . . 1.05 109.843 175.699 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.5 ' HA ' ' HA ' ' A' ' 142' ' ' LYS . 23.9 m-85 -118.82 135.27 54.63 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.953 -0.112 . . . . 0.47 111.29 -175.438 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.59 ' HD3' ' O ' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -94.49 139.8 30.67 Favored 'General case' 0 C--O 1.235 0.312 0 C-N-CA 120.247 -0.581 . . . . 2.19 110.551 169.375 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.0 tt -55.75 112.64 1.21 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.03 -0.532 . . . . 1.14 110.895 174.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -78.58 -52.13 8.92 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.675 -0.491 . . . . 2.08 109.675 179.238 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 28.7 ptt-85 -162.75 177.11 9.61 Favored 'General case' 0 C--O 1.234 0.266 0 N-CA-C 110.036 -0.357 . . . . 3.36 110.036 178.215 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -134.02 159.14 41.7 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.482 -0.326 . . . . 1.19 110.623 -177.436 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -141.38 117.42 10.57 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.363 -0.38 . . . . 2.66 110.246 179.642 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 42.2 t30 68.86 25.3 6.2 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-O 121.516 0.674 . . . . 0.76 110.951 176.422 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.604 ' CD1' ' HD2' ' A' ' 138' ' ' ARG . 19.5 t80 -76.02 -41.21 51.68 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.549 -0.75 . . . . 0.49 110.676 -176.116 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.425 ' O ' ' HG3' ' A' ' 24' ' ' LYS . 16.3 t70 -54.62 -52.0 63.6 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.979 0.419 . . . . 2.04 110.447 176.598 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 63.7 mm-40 -53.76 -43.25 69.02 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.574 -0.739 . . . . 1.79 111.449 177.195 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 80.3 t80 -58.05 -41.28 82.96 Favored 'General case' 0 C--O 1.226 -0.161 0 CA-C-N 116.615 -0.266 . . . . 0.57 110.626 176.471 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.446 ' HG ' ' O ' ' A' ' 19' ' ' PHE . 90.0 mt -65.66 -41.02 93.01 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.821 0.343 . . . . 0.37 110.405 -178.242 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.425 ' HG3' ' O ' ' A' ' 20' ' ' ASP . 27.4 mtpp -61.72 -52.95 62.16 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.37 0.605 . . . . 1.88 109.825 177.561 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.87 -40.14 79.49 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 114.877 -1.056 . . . . 0.44 111.179 178.477 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 23.7 tpt85 -67.82 -19.52 65.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.714 -0.676 . . . . 1.29 111.184 -177.302 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 103.77 25.39 7.25 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.654 -0.784 . . . . 0.62 113.5 179.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 59.4 m-85 -99.28 127.27 45.26 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 117.159 0.479 . . . . 0.64 110.69 177.854 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.523 ' O ' ' HG3' ' A' ' 33' ' ' ARG . . . -75.4 178.65 47.2 Favored Glycine 0 N--CA 1.446 -0.644 0 CA-C-N 115.543 -0.753 . . . . 1.54 112.57 -179.558 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.551 ' O ' ' HG2' ' A' ' 34' ' ' GLN . 86.7 t90 -49.42 -51.29 36.33 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 122.91 0.484 . . . . 1.18 112.022 -175.296 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.408 ' HA ' HD13 ' A' ' 31' ' ' ILE . 1.3 mm -54.18 -53.79 26.19 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 N-CA-C 111.748 0.277 . . . . 2.16 111.748 -178.806 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.582 ' O ' HG13 ' A' ' 36' ' ' ILE . 69.2 mmm -57.98 -40.81 81.57 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.341 -0.39 . . . . 0.97 110.993 179.515 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.523 ' HG3' ' O ' ' A' ' 29' ' ' GLY . 59.8 mtm-85 -68.21 -15.98 63.79 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.766 0.317 . . . . 1.87 111.134 -179.071 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.553 ' O ' HD23 ' A' ' 38' ' ' LEU . 29.0 mm-40 -89.62 -17.8 27.75 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.838 0.351 . . . . 1.97 110.523 176.913 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 57.8 t -95.13 -63.8 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 121.071 0.462 . . . . 0.68 110.876 177.376 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.582 HG13 ' O ' ' A' ' 32' ' ' MET . 34.9 mt -45.72 -49.11 4.47 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.424 0 N-CA-C 114.447 1.277 . . . . 0.51 114.447 -174.442 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.617 ' HG3' HD22 ' A' ' 38' ' ' LEU . 64.6 pttt -85.28 -0.18 53.92 Favored 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 120.045 -0.662 . . . . 0.97 111.908 -173.507 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.617 HD22 ' HG3' ' A' ' 37' ' ' LYS . 2.7 mm? -110.12 2.01 19.17 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.104 0.478 . . . . 2.08 110.343 176.909 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -85.31 123.52 30.88 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 115.876 -0.602 . . . . 1.03 110.25 178.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.592 ' O ' ' HA ' ' A' ' 62' ' ' THR . . . -66.46 130.53 31.79 Favored Glycine 0 N--CA 1.446 -0.672 0 N-CA-C 111.086 -0.806 . . . . 0.84 111.086 175.005 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.468 HG22 HG22 ' A' ' 62' ' ' THR . 40.7 t -121.04 124.86 73.15 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-O 120.952 0.406 . . . . 1.3 110.578 -174.885 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 15.1 m -114.49 114.24 25.53 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.904 -0.589 . . . . 0.45 110.253 179.298 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.407 ' HE3' ' HE3' ' A' ' 127' ' ' MET . 73.8 mmtt -89.31 136.36 33.07 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.084 -0.507 . . . . 0.79 109.932 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.504 ' O ' ' HA ' ' A' ' 58' ' ' MET . 93.7 mttt -133.55 100.42 4.8 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.604 0.24 . . . . 1.96 111.27 -176.385 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 82.3 m-85 -105.37 129.69 53.64 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.716 -0.476 . . . . 0.54 109.716 175.85 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.419 ' HG3' ' O ' ' A' ' 47' ' ' ASN . 12.3 ptp180 -156.42 172.01 19.26 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 116.64 -0.255 . . . . 3.17 110.528 -178.847 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ASN . . . . . 0.419 ' O ' ' HG3' ' A' ' 46' ' ' ARG . 25.5 m-80 -65.5 152.57 43.7 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 108.571 -0.9 . . . . 1.85 108.571 169.173 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.434 ' HA ' ' HB2' ' A' ' 57' ' ' ASP . . . -53.82 134.19 42.48 Favored 'General case' 0 CA--C 1.519 -0.222 0 CA-C-O 121.376 0.608 . . . . 0.87 111.153 -176.89 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.7 -38.98 86.83 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 114.425 -1.261 . . . . 1.48 112.672 -167.733 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 32.5 t -83.37 16.96 2.28 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-O 121.341 0.591 . . . . 2.37 110.957 179.217 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 67.7 36.53 87.74 Favored Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.953 -0.642 . . . . 1.91 112.758 178.672 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -82.22 121.78 78.9 Favored Pre-proline 0 C--N 1.324 -0.532 0 N-CA-C 109.995 -0.372 . . . . 3.17 109.995 177.377 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.461 ' O ' ' HB2' ' A' ' 54' ' ' ASP . 61.1 Cg_endo -70.66 141.17 40.94 Favored 'Trans proline' 0 C--O 1.236 0.376 0 C-N-CA 122.708 2.272 . . . . 1.84 112.007 -177.592 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.461 ' HB2' ' O ' ' A' ' 53' ' ' PRO . 16.1 m-20 79.78 -48.63 0.37 Allowed 'General case' 0 N--CA 1.469 0.523 0 O-C-N 124.091 0.87 . . . . 2.44 109.455 -178.764 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 15.7 mmt180 -60.26 136.0 57.9 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.352 -0.84 . . . . 4.1 111.911 172.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.505 ' CE1' ' HB2' ' A' ' 3' ' ' LEU . 47.4 m-85 -121.18 165.67 15.06 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.316 -0.856 . . . . 0.97 109.856 174.852 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.434 ' HB2' ' HA ' ' A' ' 48' ' ' ALA . 21.2 t70 -120.2 140.03 51.75 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 116.463 -0.335 . . . . 1.1 110.282 -176.852 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.504 ' HA ' ' O ' ' A' ' 44' ' ' LYS . 9.9 tpt -137.36 135.2 36.8 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.253 -0.43 . . . . 0.98 110.244 -178.043 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.453 ' HB3' ' HB2' ' A' ' 44' ' ' LYS . 35.3 tt0 -133.08 137.08 46.25 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 121.03 0.443 . . . . 1.11 110.436 -179.89 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.634 ' HB2' ' OG1' ' A' ' 67' ' ' THR . 0.9 OUTLIER -117.62 90.29 3.3 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 108.454 -0.943 . . . . 1.17 108.454 -178.243 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 59.8 tp -90.44 139.52 30.6 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.388 -0.369 . . . . 1.67 110.358 -177.592 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.592 ' HA ' ' O ' ' A' ' 40' ' ' GLY . 49.3 p -138.4 -164.37 1.62 Allowed 'General case' 0 N--CA 1.445 -0.704 0 N-CA-C 109.342 -0.614 . . . . 0.45 109.342 177.699 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 64.0 p -94.44 -31.4 13.99 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-O 121.22 0.533 . . . . 0.54 110.772 179.167 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 72.2 mmtt -108.83 -11.01 15.08 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.622 -0.717 . . . . 2.24 111.794 -172.879 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.489 ' HG2' ' HA ' ' A' ' 83' ' ' LEU . 12.9 tptp -142.42 -152.99 0.44 Allowed 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 120.911 -0.316 . . . . 1.82 110.904 -177.643 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 15.2 t70 166.97 126.84 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.242 -0.89 . . . . 2.12 110.094 -169.528 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.634 ' OG1' ' HB2' ' A' ' 60' ' ' ASN . 35.4 p -139.68 148.86 42.97 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 109.459 -0.571 . . . . 0.56 109.459 175.217 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 9.8 t-160 -141.22 98.08 3.3 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 121.083 0.468 . . . . 1.95 109.846 -179.422 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 32.3 m-70 -76.9 85.46 3.46 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.702 -0.681 . . . . 0.39 109.467 178.719 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 25.0 mttp -71.76 116.08 11.72 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.539 -0.755 . . . . 2.3 112.564 -175.388 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.4 p30 48.69 82.73 0.04 OUTLIER 'General case' 0 N--CA 1.472 0.632 0 CA-C-O 122.595 1.188 . . . . 2.07 113.276 174.103 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' TRP . . . . . 0.486 ' HE1' ' CB ' ' A' ' 58' ' ' MET . 64.1 p-90 -114.84 162.36 16.99 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 114.453 -1.248 . . . . 0.43 109.518 176.151 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.647 ' O ' ' HB3' ' A' ' 76' ' ' GLU . . . -126.32 151.24 47.82 Favored 'General case' 0 C--N 1.317 -0.812 0 N-CA-C 109.31 -0.626 . . . . 0.55 109.31 172.444 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.656 HD13 ' H ' ' A' ' 74' ' ' LEU . 0.0 OUTLIER -65.27 145.05 56.71 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.528 0.68 . . . . 1.71 110.11 172.241 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 82.01 -9.15 58.07 Favored Glycine 0 N--CA 1.446 -0.684 0 CA-C-N 115.068 -0.969 . . . . 0.59 111.983 -171.273 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.647 ' HB3' ' O ' ' A' ' 73' ' ' ALA . 7.6 tp10 -97.21 150.28 21.08 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.251 0.548 . . . . 2.37 110.663 -175.405 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -129.35 123.08 30.87 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.08 -0.963 . . . . 1.4 108.817 179.191 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 51.0 p90 -131.92 157.12 44.85 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 116.246 -0.433 . . . . 0.57 109.954 -176.154 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 49.1 tt0 -92.23 142.26 27.67 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 109.224 -0.658 . . . . 1.95 109.224 176.702 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 34.0 t0 -164.02 162.61 23.28 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.263 -0.643 . . . . 1.26 109.263 -173.564 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.513 ' HA ' ' HA ' ' A' ' 87' ' ' GLN . 31.9 tt0 -98.75 114.77 27.44 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.522 0.677 . . . . 2.13 109.329 -179.727 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -82.91 174.07 11.25 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 114.636 -1.166 . . . . 0.95 112.055 -174.188 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.489 ' HA ' ' HG2' ' A' ' 65' ' ' LYS . 13.4 mt -64.7 -16.94 63.62 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.358 -0.837 . . . . 1.34 110.812 -179.661 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 6.2 p30 -77.83 8.85 4.04 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.452 -0.794 . . . . 1.55 112.067 179.398 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 14.5 m 73.7 3.18 4.45 Favored 'General case' 0 N--CA 1.465 0.281 0 C-N-CA 123.285 0.634 . . . . 1.21 112.345 174.689 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 16.6 p -119.38 160.62 21.95 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.749 0.309 . . . . 0.93 110.311 176.348 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' GLN . . . . . 0.513 ' HA ' ' HA ' ' A' ' 81' ' ' GLU . 10.9 pt20 -114.49 129.52 56.67 Favored 'General case' 0 CA--C 1.507 -0.687 0 CA-C-O 121.608 0.718 . . . . 1.88 110.557 179.861 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' HIS . . . . . 0.812 ' HA ' HG23 ' A' ' 107' ' ' VAL . 4.1 p80 -149.39 175.11 11.75 Favored 'General case' 0 C--N 1.313 -0.994 0 CA-C-N 114.811 -1.086 . . . . 1.04 110.066 -174.065 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 15.2 pttp -79.09 139.99 37.95 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-O 121.324 0.583 . . . . 1.49 109.741 -176.806 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 64.8 mt -134.77 126.34 47.44 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.026 0 CA-C-N 115.142 -0.935 . . . . 0.54 110.329 -173.042 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 8.7 m -109.59 132.68 53.92 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 115.978 -0.555 . . . . 0.43 110.501 179.089 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -108.48 135.11 50.3 Favored 'General case' 0 C--N 1.317 -0.821 0 N-CA-C 108.014 -1.106 . . . . 0.6 108.014 171.691 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -155.06 142.01 19.17 Favored 'General case' 0 C--N 1.317 -0.833 0 C-N-CA 120.639 -0.424 . . . . 1.69 110.886 -176.527 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.418 HD22 ' HG ' ' A' ' 100' ' ' LEU . 1.7 mm? -87.56 116.51 25.73 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 109.303 -0.628 . . . . 1.12 109.303 175.12 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 40.2 ttpt -80.74 -43.94 19.43 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 108.444 -0.947 . . . . 3.03 108.444 -177.353 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -157.3 165.13 19.43 Favored Pre-proline 0 C--N 1.32 -0.686 0 N-CA-C 107.347 -1.353 . . . . 1.79 107.347 175.047 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -60.68 4.65 0.19 Allowed 'Trans proline' 0 CA--C 1.535 0.538 0 C-N-CA 123.184 2.589 . . . . 0.98 114.615 -175.591 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' ASN . . . . . 0.551 ' OD1' ' HB3' ' A' ' 120' ' ' ARG . 65.8 t30 -132.04 11.97 4.69 Favored 'General case' 0 C--N 1.329 -0.307 0 O-C-N 122.128 -0.358 . . . . 2.32 111.18 177.262 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 42.3 m -152.91 116.15 4.65 Favored 'General case' 0 CA--C 1.533 0.323 0 N-CA-C 112.911 0.708 . . . . 0.56 112.911 179.174 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.422 HD23 ' H ' ' A' ' 101' ' ' THR . 0.6 OUTLIER -90.2 154.02 20.06 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 114.978 -1.01 . . . . 1.1 108.322 172.096 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.44 HG22 ' HG2' ' A' ' 117' ' ' GLU . 18.2 p -129.77 135.54 48.57 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 118.619 0.645 . . . . 0.41 111.296 175.565 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 65.0 tt0 -117.2 106.45 13.32 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.793 -0.64 . . . . 1.31 109.363 175.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 50.7 m -105.66 121.18 43.47 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.127 0.489 . . . . 0.51 111.164 -175.5 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' HIS . . . . . 0.509 ' HB3' ' CE1' ' A' ' 88' ' ' HIS . 9.8 m170 -104.03 117.2 33.72 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.906 -0.588 . . . . 1.69 109.908 179.41 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.548 ' O ' ' HB2' ' A' ' 88' ' ' HIS . 46.1 mt -118.9 119.1 59.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 121.111 0.481 . . . . 0.75 110.58 175.374 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.609 ' HA ' ' CB ' ' A' ' 88' ' ' HIS . 46.0 mtpt -64.61 124.55 22.17 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.473 -0.785 . . . . 1.61 111.968 -177.55 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.812 HG23 ' HA ' ' A' ' 88' ' ' HIS . 86.4 t -58.69 -35.49 55.69 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.63 0 CA-C-N 114.432 -1.258 . . . . 1.32 110.949 176.692 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 108' ' ' ASP . . . . . 0.532 ' OD2' ' HE2' ' A' ' 106' ' ' LYS . 18.3 p-10 -82.0 -42.75 18.92 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.346 -0.843 . . . . 2.5 110.613 -179.053 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 109' ' ' ASP . . . . . 0.578 ' O ' ' HB2' ' A' ' 106' ' ' LYS . 18.5 m-20 -135.29 89.7 22.58 Favored Pre-proline 0 CA--C 1.516 -0.337 0 CA-C-O 121.107 0.48 . . . . 2.39 110.897 176.546 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -70.67 1.07 5.41 Favored 'Trans proline' 0 C--N 1.332 -0.29 0 C-N-CA 123.292 2.661 . . . . 0.9 113.282 -176.519 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 37.4 p -81.32 -17.9 47.61 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.451 0.644 . . . . 1.47 109.606 176.477 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -88.72 49.95 1.88 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.267 -0.879 . . . . 1.59 110.072 179.353 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 2.3 p -71.83 114.5 10.51 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.032 0 CA-C-O 121.506 0.669 . . . . 1.6 111.513 -179.676 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -113.72 137.38 51.7 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.037 -0.983 . . . . 2.78 109.896 -176.872 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 27.5 m -135.4 129.76 33.82 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.256 0.55 . . . . 0.53 112.127 -177.866 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 116' ' ' TYR . . . . . 0.481 ' CE2' ' HE1' ' A' ' 104' ' ' HIS . 4.7 m-30 -107.72 152.66 24.04 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 106.611 -1.625 . . . . 0.96 106.611 169.721 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 117' ' ' GLU . . . . . 0.466 ' O ' ' HA ' ' A' ' 127' ' ' MET . 35.4 mt-10 -130.18 131.7 45.72 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 119.278 0.945 . . . . 1.27 108.484 -178.282 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 118' ' ' TYR . . . . . 0.433 ' HD1' HD11 ' A' ' 125' ' ' LEU . 99.1 m-85 -104.87 95.49 5.91 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 120.83 0.348 . . . . 0.6 110.837 -177.404 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.49 151.71 23.93 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 109.842 -0.429 . . . . 3.41 109.842 179.649 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 120' ' ' ARG . . . . . 0.551 ' HB3' ' OD1' ' A' ' 98' ' ' ASN . 21.3 tpt180 -99.14 133.01 44.04 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 120.826 0.346 . . . . 1.96 110.708 -176.857 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -121.33 76.75 1.26 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.021 -0.536 . . . . 1.08 109.661 177.541 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 64.93 -95.32 0.19 Allowed Glycine 0 N--CA 1.447 -0.6 0 CA-C-N 115.541 -0.754 . . . . 0.92 112.562 -179.44 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -102.17 -10.31 19.73 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.174 0.512 . . . . 2.31 110.664 -178.703 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 124' ' ' TYR . . . . . 0.472 ' CD2' ' HB3' ' A' ' 141' ' ' LYS . 95.1 m-85 -104.69 146.95 28.23 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.157 0.503 . . . . 0.67 111.597 -177.259 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.433 HD11 ' HD1' ' A' ' 118' ' ' TYR . 2.7 tm? -99.36 122.01 41.9 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 107.363 -1.347 . . . . 1.03 107.363 172.054 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 59.9 t -117.38 127.55 74.84 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-O 121.224 0.535 . . . . 0.47 110.63 -171.27 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 127' ' ' MET . . . . . 0.466 ' HA ' ' O ' ' A' ' 117' ' ' GLU . 29.2 ttm -97.31 140.36 31.9 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 115.462 -0.79 . . . . 1.08 110.341 178.409 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -126.88 113.84 17.09 Favored 'General case' 0 C--N 1.316 -0.856 0 N-CA-C 109.485 -0.561 . . . . 2.2 109.485 176.47 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 129' ' ' MET . . . . . 0.502 ' O ' ' HA ' ' A' ' 135' ' ' SER . 24.5 mtp -113.62 143.04 45.24 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 108.641 -0.874 . . . . 1.11 108.641 179.854 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 130' ' ' SER . . . . . 0.463 ' HA ' ' O ' ' A' ' 134' ' ' VAL . 11.7 p -141.17 130.31 23.41 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.453 -0.499 . . . . 1.06 112.187 -177.846 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 131' ' ' TRP . . . . . 0.531 ' CD1' ' HD3' ' A' ' 132' ' ' LYS . 43.4 t-105 -144.38 124.45 13.62 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.259 -0.882 . . . . 0.76 109.768 175.791 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 132' ' ' LYS . . . . . 0.531 ' HD3' ' CD1' ' A' ' 131' ' ' TRP . 14.3 mptt 51.78 44.28 29.42 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-O 121.1 0.476 . . . . 1.96 111.484 -176.472 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 85.18 -27.14 5.17 Favored Glycine 0 N--CA 1.45 -0.413 0 CA-C-N 115.844 -0.616 . . . . 0.53 112.661 178.935 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 134' ' ' VAL . . . . . 0.463 ' O ' ' HA ' ' A' ' 130' ' ' SER . 16.0 t -70.18 105.12 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 120.836 0.35 . . . . 0.43 110.206 -177.321 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 135' ' ' SER . . . . . 0.502 ' HA ' ' O ' ' A' ' 129' ' ' MET . 4.6 m -102.77 142.16 34.37 Favored 'General case' 0 N--CA 1.43 -1.449 0 CA-C-O 121.241 0.543 . . . . 1.14 110.228 177.522 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 136' ' ' THR . . . . . 0.498 ' CG2' ' HB2' ' A' ' 129' ' ' MET . 2.6 t -129.05 125.28 36.92 Favored 'General case' 0 C--N 1.306 -1.315 0 CA-C-N 115.273 -0.876 . . . . 0.4 110.126 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 6.5 m -102.98 108.01 19.02 Favored 'General case' 0 N--CA 1.448 -0.571 0 N-CA-C 109.105 -0.702 . . . . 0.79 109.105 178.294 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 138' ' ' ARG . . . . . 0.604 ' HD2' ' CD1' ' A' ' 19' ' ' PHE . 47.5 mtp180 -107.35 125.45 51.21 Favored 'General case' 0 C--N 1.314 -0.977 0 CA-C-O 121.238 0.542 . . . . 1.84 109.955 -176.674 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 58.5 m-85 -97.95 117.85 33.22 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.222 -0.899 . . . . 0.64 111.213 -167.743 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 95.4 m-85 -108.54 136.26 48.44 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.875 -0.602 . . . . 0.6 110.354 177.803 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 141' ' ' LYS . . . . . 0.472 ' HB3' ' CD2' ' A' ' 124' ' ' TYR . 0.0 OUTLIER -123.33 159.53 28.65 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 107.376 -1.342 . . . . 1.92 107.376 173.712 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 142' ' ' LYS . . . . . 0.53 ' O ' ' HG3' ' A' ' 12' ' ' LYS . 12.3 mmmm -50.05 171.89 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.751 0 N-CA-C 114.758 1.392 . . . . 2.13 114.758 -175.061 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 9.5 mm100 . . . . . 0 C--O 1.25 1.088 0 CA-C-N 114.707 -1.133 . . . . 1.46 110.767 160.981 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' -11' ' ' MET . . . . . . . . . . . . . 13.7 tmm? . . . . . 0 N--CA 1.478 0.947 0 N-CA-C 109.485 -0.561 . . . . 14.47 109.485 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' -10' ' ' ARG . . . . . . . . . . . . . 61.3 ttt180 -162.57 107.74 1.18 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.852 0.358 . . . . 15.82 110.538 179.384 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' -9' ' ' GLY . . . . . . . . . . . . . . . -130.2 53.7 0.8 Allowed Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 120.824 -0.703 . . . . 11.88 111.829 178.546 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' -8' ' ' SER . . . . . . . . . . . . . 11.6 p -70.58 -37.33 73.92 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.932 0.396 . . . . 11.68 111.219 -176.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' -7' ' ' HIS . . . . . . . . . . . . . 21.1 m-70 -75.2 110.48 9.57 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.073 -0.512 . . . . 11.79 110.635 -178.827 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' -6' ' ' HIS . . . . . . . . . . . . . 33.5 m170 64.97 75.03 0.38 Allowed 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 115.898 -0.592 . . . . 10.98 111.139 179.712 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' -5' ' ' HIS . . . . . . . . . . . . . 38.6 p-80 -113.12 50.35 0.89 Allowed 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.192 0.52 . . . . 9.31 110.683 179.205 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' -4' ' ' HIS . . . . . . . . . . . . . 91.9 m-70 -84.22 -32.67 24.39 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.229 -0.441 . . . . 10.54 110.212 178.739 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' -3' ' ' HIS . . . . . . . . . . . . . 53.3 m80 -72.65 -46.66 52.83 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.018 -0.734 . . . . 8.73 109.018 174.621 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 52.0 t-80 -98.33 54.69 1.09 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.385 -0.825 . . . . 7.06 109.549 176.38 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -72.7 -60.75 3.83 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.421 -0.895 . . . . 3.5 111.194 176.681 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 50.8 m -151.87 113.72 4.43 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.927 -0.398 . . . . 3.11 109.927 174.223 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.504 ' O ' HD21 ' A' ' 74' ' ' LEU . 2.7 mmmp? -87.57 136.11 33.08 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 109.52 -0.548 . . . . 2.99 109.52 174.547 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.54 127.71 39.33 Favored 'General case' 0 C--N 1.312 -1.024 0 CA-C-N 116.438 -0.346 . . . . 0.99 110.209 -178.47 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.616 ' HB2' ' CE1' ' A' ' 56' ' ' TYR . 5.0 mt -51.49 127.91 32.42 Favored Pre-proline 0 N--CA 1.465 0.282 0 CA-C-N 115.74 -0.663 . . . . 0.59 111.747 -179.062 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.579 ' HD2' HD23 ' A' ' 3' ' ' LEU . 23.7 Cg_endo -66.32 134.51 36.46 Favored 'Trans proline' 0 N--CA 1.454 -0.819 0 C-N-CA 121.877 1.718 . . . . 0.61 110.216 173.04 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.532 ' HA ' HD12 ' A' ' 8' ' ' LEU . 8.1 p-10 -55.71 -17.58 6.23 Favored 'General case' 0 N--CA 1.466 0.332 0 N-CA-C 112.728 0.64 . . . . 2.19 112.728 -173.025 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.521 ' HB3' ' HG3' ' A' ' 120' ' ' ARG . 60.1 mttp -55.49 -31.52 62.08 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 112.159 0.429 . . . . 2.53 112.159 175.65 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.492 ' CE1' ' HG2' ' A' ' 120' ' ' ARG . 47.4 m-85 -96.27 1.75 52.32 Favored 'General case' 0 C--O 1.226 -0.178 0 O-C-N 122.038 -0.414 . . . . 0.6 111.356 -176.584 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.532 HD12 ' HA ' ' A' ' 5' ' ' ASP . 88.5 mt -101.1 150.26 23.11 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.276 0.56 . . . . 0.46 111.568 -172.24 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 115.05 -173.83 14.98 Favored Glycine 0 N--CA 1.444 -0.818 0 CA-C-N 115.334 -0.848 . . . . 0.52 111.662 -177.815 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.491 HG23 ' HG2' ' A' ' 44' ' ' LYS . 30.8 m -105.8 122.48 46.17 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-O 120.793 0.33 . . . . 1.05 110.533 178.649 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.466 ' HA ' ' HA ' ' A' ' 142' ' ' LYS . 33.9 m-85 -113.45 129.78 56.47 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.125 -0.488 . . . . 0.47 110.538 -178.653 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.504 ' HD3' ' O ' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -100.85 134.97 43.03 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 119.578 -0.849 . . . . 2.19 110.804 172.375 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 61.4 tp -55.65 125.69 22.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.519 -0.764 . . . . 1.14 111.831 178.562 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -92.91 -55.59 3.3 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.013 -0.736 . . . . 2.08 109.013 174.741 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 18.4 ptt180 -158.09 -178.47 7.32 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.135 -0.484 . . . . 3.36 110.754 -176.467 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -156.43 167.76 29.43 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.015 -0.539 . . . . 1.19 109.795 176.61 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 17.9 tp10 -144.76 130.63 19.22 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.709 -0.223 . . . . 2.66 111.216 -174.367 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 40.1 t30 69.13 26.94 5.4 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-O 121.65 0.738 . . . . 0.76 110.779 176.512 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.509 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 8.9 t80 -72.56 -40.51 66.62 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.256 -0.884 . . . . 0.49 111.181 -173.614 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.452 ' OD2' ' HD2' ' A' ' 33' ' ' ARG . 34.0 t70 -58.55 -50.86 72.24 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 120.675 0.274 . . . . 2.04 111.104 178.484 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 41.6 mm-40 -55.37 -42.81 74.46 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 116.203 -0.453 . . . . 1.79 111.277 178.827 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 77.6 t80 -59.12 -39.05 81.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.756 0.312 . . . . 0.57 110.831 176.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.509 ' HG ' ' O ' ' A' ' 19' ' ' PHE . 73.1 mt -68.15 -39.51 82.61 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.444 -0.344 . . . . 0.37 110.697 -178.094 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 54.0 mtpt -62.55 -49.6 74.63 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.045 -0.525 . . . . 1.88 109.724 177.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.96 -40.59 80.94 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.283 -0.872 . . . . 0.44 111.095 177.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.403 HH11 ' HD2' ' A' ' 26' ' ' ARG . 12.1 mmm180 -70.25 -12.15 61.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.96 -0.564 . . . . 1.29 111.807 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 94.47 22.07 25.22 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.478 -0.867 . . . . 0.62 112.954 177.174 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.514 ' OH ' H151 ' A' 1001 ' ' OLA . 75.2 m-85 -92.83 125.24 37.34 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.78 -0.452 . . . . 0.64 109.78 177.1 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -78.21 179.68 51.49 Favored Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.941 -0.647 . . . . 1.54 112.418 -179.587 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.433 ' O ' ' HG2' ' A' ' 34' ' ' GLN . 80.8 t90 -49.75 -49.66 47.32 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 123.019 0.527 . . . . 1.18 111.7 -178.33 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 1.3 mm -53.7 -53.15 27.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.708 0.29 . . . . 2.16 111.723 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.554 ' O ' HG13 ' A' ' 36' ' ' ILE . 54.8 mmm -60.69 -41.08 94.41 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.22 -0.445 . . . . 0.97 111.211 178.36 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.452 ' HD2' ' OD2' ' A' ' 20' ' ' ASP . 52.6 mtm180 -63.56 -29.48 70.73 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.498 -0.319 . . . . 1.87 110.752 179.532 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.525 ' O ' HD23 ' A' ' 38' ' ' LEU . 86.0 mm-40 -71.35 -25.48 62.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.921 0.391 . . . . 1.97 110.844 176.269 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.478 HG13 ' HG3' ' A' ' 64' ' ' LYS . 56.5 t -84.89 -66.79 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 121.238 0.542 . . . . 0.68 110.642 175.072 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.554 HG13 ' O ' ' A' ' 32' ' ' MET . 28.4 mt -49.96 -43.4 20.15 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.494 0 CA-C-N 114.797 -1.092 . . . . 0.51 113.814 -174.049 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 54.2 mtmt -72.89 -22.57 60.73 Favored 'General case' 0 N--CA 1.47 0.538 0 N-CA-C 112.106 0.41 . . . . 0.97 112.106 -175.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.525 HD23 ' O ' ' A' ' 34' ' ' GLN . 3.8 mm? -100.84 3.76 42.24 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.1 0.476 . . . . 2.08 110.727 -175.549 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -85.55 109.48 18.55 Favored 'General case' 0 N--CA 1.445 -0.689 0 CA-C-N 115.741 -0.663 . . . . 1.03 110.856 -179.589 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.5 ' O ' ' HA ' ' A' ' 62' ' ' THR . . . -70.53 146.54 42.34 Favored Glycine 0 N--CA 1.447 -0.605 0 N-CA-C 110.225 -1.15 . . . . 0.84 110.225 173.882 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 45.6 t -131.65 133.64 61.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 117.403 0.602 . . . . 1.3 112.153 -170.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 8.1 m -120.69 122.7 41.02 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.603 -0.726 . . . . 0.45 110.025 175.415 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.477 ' HZ1' ' C1 ' ' A' 1001 ' ' OLA . 44.3 mmtm -93.88 137.73 32.79 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.315 -0.402 . . . . 0.79 110.519 -179.551 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.604 ' O ' ' HA ' ' A' ' 58' ' ' MET . 99.3 mttt -133.82 111.08 10.22 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.883 0.373 . . . . 1.96 110.893 177.344 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.523 ' CE2' ' HG3' ' A' ' 58' ' ' MET . 41.9 m-85 -115.03 134.31 55.29 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.769 -0.651 . . . . 0.54 109.415 175.738 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.429 ' CG ' ' HB2' ' A' ' 57' ' ' ASP . 23.1 ptt180 -154.91 160.66 41.32 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 110.634 -0.136 . . . . 3.17 110.634 -179.153 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 46.6 m-80 -61.96 135.09 57.41 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 108.721 -0.844 . . . . 1.85 108.721 171.647 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 1.071 ' HB3' ' HD2' ' A' ' 55' ' ' ARG . . . -71.32 125.12 26.15 Favored 'General case' 0 CA--C 1.516 -0.341 0 CA-C-O 121.432 0.634 . . . . 0.87 112.039 -172.055 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -68.14 -6.72 24.64 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 114.684 -1.143 . . . . 1.48 112.275 179.425 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 63.6 p -44.17 -26.58 0.32 Allowed 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 115.714 -0.676 . . . . 2.37 111.878 173.177 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 97.3 3.17 58.82 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.916 -0.659 . . . . 1.91 112.138 177.08 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.531 ' HB2' ' HG2' ' A' ' 55' ' ' ARG . 53.4 mtmt -95.08 174.9 3.17 Favored Pre-proline 0 C--N 1.319 -0.744 0 N-CA-C 109.206 -0.665 . . . . 3.17 109.206 178.356 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -99.68 157.68 0.56 Allowed 'Trans proline' 0 N--CA 1.456 -0.713 0 C-N-CA 122.885 2.39 . . . . 1.84 112.501 171.519 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 29.8 m-20 79.28 -38.17 0.19 Allowed 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.938 0.895 . . . . 2.44 112.636 173.361 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 1.071 ' HD2' ' HB3' ' A' ' 48' ' ' ALA . 0.0 OUTLIER -56.81 155.79 7.37 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 113.822 1.045 . . . . 4.1 113.822 175.58 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.616 ' CE1' ' HB2' ' A' ' 3' ' ' LEU . 70.9 m-85 -142.63 154.32 44.26 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.755 -0.657 . . . . 0.97 110.718 175.424 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.571 ' OD1' ' HA ' ' A' ' 48' ' ' ALA . 41.8 m-20 -102.62 146.93 27.45 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.958 -0.756 . . . . 1.1 108.958 173.511 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.604 ' HA ' ' O ' ' A' ' 44' ' ' LYS . 1.9 tmt? -149.67 121.29 8.02 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.835 0.35 . . . . 0.98 110.57 177.194 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -119.55 151.21 39.0 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 121.502 0.668 . . . . 1.11 111.277 175.53 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -118.77 89.86 3.21 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 114.672 -1.149 . . . . 1.17 108.977 -177.64 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 60.5 tp -86.24 124.3 32.46 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 110.077 -0.342 . . . . 1.67 110.077 -178.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.5 ' HA ' ' O ' ' A' ' 40' ' ' GLY . 21.7 p -126.71 -166.29 1.57 Allowed 'General case' 0 N--CA 1.435 -1.19 0 N-CA-C 108.643 -0.873 . . . . 0.45 108.643 179.231 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 82.4 p -88.0 -37.94 15.92 Favored 'General case' 0 C--N 1.312 -1.053 0 CA-C-O 121.034 0.445 . . . . 0.54 111.255 -177.725 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.478 ' HG3' HG13 ' A' ' 35' ' ' VAL . 35.5 mmtp -106.54 -17.53 14.23 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.048 -0.523 . . . . 2.24 111.236 -175.546 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 27.5 mmmt -125.1 -160.74 0.97 Allowed 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.374 -0.375 . . . . 1.82 110.967 -177.498 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 164.63 118.61 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 114.817 -1.083 . . . . 2.12 108.914 -169.035 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 76.4 p -135.64 151.65 50.44 Favored 'General case' 0 C--N 1.314 -0.954 0 CA-C-N 115.478 -0.783 . . . . 0.56 108.894 179.48 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.416 ' O ' ' HE2' ' A' ' 70' ' ' LYS . 21.1 t-160 -146.49 94.09 2.39 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 120.936 0.398 . . . . 1.95 110.899 -172.112 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 21.0 m-70 -76.59 87.5 3.28 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.982 -0.553 . . . . 0.39 110.072 179.239 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.416 ' HE2' ' O ' ' A' ' 68' ' ' HIS . 13.2 mtmt -69.97 114.23 7.94 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.365 -0.379 . . . . 2.3 111.957 176.62 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 32.5 t70 61.12 83.78 0.14 Allowed 'General case' 0 C--N 1.329 -0.316 0 O-C-N 123.903 0.752 . . . . 2.07 112.204 169.671 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' TRP . . . . . 0.475 ' HE1' ' CB ' ' A' ' 58' ' ' MET . 69.2 p-90 -128.69 159.85 34.34 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.396 -0.365 . . . . 0.43 110.567 176.055 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.586 ' O ' ' HB3' ' A' ' 76' ' ' GLU . . . -125.09 150.86 46.4 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.107 -0.497 . . . . 0.55 109.743 172.902 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.638 HD13 ' H ' ' A' ' 74' ' ' LEU . 0.0 OUTLIER -65.72 145.74 55.64 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 120.0 -0.68 . . . . 1.71 110.023 172.446 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 79.32 -1.61 75.35 Favored Glycine 0 N--CA 1.445 -0.702 0 CA-C-N 115.407 -0.815 . . . . 0.59 112.024 -171.473 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.586 ' HB3' ' O ' ' A' ' 73' ' ' ALA . 38.7 tt0 -101.1 148.16 25.39 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 121.272 0.558 . . . . 2.37 111.31 -176.251 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -122.71 119.73 31.55 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 114.947 -1.024 . . . . 1.4 109.316 -179.158 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 42.3 p90 -137.9 162.83 33.0 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.552 -0.294 . . . . 0.57 110.582 -175.359 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -94.76 141.31 28.77 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.492 -0.322 . . . . 1.95 110.149 176.039 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 46.0 t0 -172.72 172.82 4.06 Favored 'General case' 0 N--CA 1.466 0.334 0 N-CA-C 109.578 -0.527 . . . . 1.26 109.578 -177.082 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.511 ' HA ' ' O ' ' A' ' 86' ' ' THR . 38.0 tt0 -97.73 122.09 40.42 Favored 'General case' 0 CA--C 1.508 -0.64 0 CA-C-O 121.24 0.543 . . . . 2.13 109.883 179.662 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.503 ' HB3' ' HE2' ' A' ' 88' ' ' HIS . . . -92.88 -178.66 4.89 Favored 'General case' 0 C--N 1.311 -1.08 0 CA-C-N 114.946 -1.024 . . . . 0.95 111.793 178.909 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.426 HD22 ' H ' ' A' ' 83' ' ' LEU . 3.3 mm? -57.35 -25.2 59.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.067 0.461 . . . . 1.34 110.635 -179.723 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.422 ' OD1' ' HB3' ' A' ' 82' ' ' ALA . 3.8 p30 -79.63 8.05 7.25 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.665 -0.698 . . . . 1.55 111.496 -178.548 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 50.2 m 75.71 -9.34 1.44 Allowed 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 114.928 1.455 . . . . 1.21 114.928 168.585 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.54 ' OG1' ' HD2' ' A' ' 88' ' ' HIS . 67.9 p -95.45 163.95 13.02 Favored 'General case' 0 C--O 1.241 0.634 0 CA-C-N 119.568 1.077 . . . . 0.93 111.332 177.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -103.9 93.52 4.92 Favored 'General case' 0 CA--C 1.511 -0.534 0 N-CA-C 107.502 -1.295 . . . . 1.88 107.502 -175.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' HIS . . . . . 0.592 ' CE1' ' HB3' ' A' ' 104' ' ' HIS . 11.2 p80 -130.77 178.78 6.39 Favored 'General case' 0 C--N 1.315 -0.93 0 C-N-CA 120.243 -0.583 . . . . 1.04 111.887 -167.197 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 26.7 ttpp -73.24 132.95 43.77 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 114.993 -1.003 . . . . 1.49 109.712 -178.562 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 62.1 mt -135.89 144.3 33.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.909 0 CA-C-N 116.164 -0.471 . . . . 0.54 109.996 -176.542 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 22.5 m -137.54 134.04 35.2 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.267 0.556 . . . . 0.43 111.505 -178.737 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.531 ' HA ' ' O ' ' A' ' 101' ' ' THR . 27.1 m-85 -110.73 150.21 29.39 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.272 -0.876 . . . . 0.6 108.672 175.389 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -159.34 133.36 7.53 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 120.967 0.413 . . . . 1.69 111.753 179.015 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -83.92 101.1 11.45 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 108.405 -0.961 . . . . 1.12 108.405 172.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.628 ' HE3' HG21 ' A' ' 99' ' ' THR . 16.4 pttp -86.91 -40.63 14.66 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.324 -0.621 . . . . 3.03 109.324 -171.853 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.512 ' OD1' ' HG3' ' A' ' 95' ' ' LYS . 9.9 m-20 -131.27 159.74 70.27 Favored Pre-proline 0 C--N 1.324 -0.502 0 N-CA-C 107.34 -1.355 . . . . 1.79 107.34 172.555 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 11.0 Cg_exo -71.57 14.41 0.4 Allowed 'Trans proline' 0 C--O 1.233 0.258 0 C-N-CA 122.972 2.448 . . . . 0.98 112.693 -173.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 9.3 p30 -145.05 16.12 1.54 Allowed 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.853 -0.612 . . . . 2.32 110.373 176.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.628 HG21 ' HE3' ' A' ' 95' ' ' LYS . 32.5 m -152.06 115.08 4.67 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-O 121.38 0.61 . . . . 0.56 112.328 -179.653 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.552 ' HB3' ' HB2' ' A' ' 118' ' ' TYR . 20.3 tp -98.25 149.0 23.04 Favored 'General case' 0 C--O 1.22 -0.45 0 CA-C-N 114.925 -1.034 . . . . 1.1 109.47 175.044 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.531 ' O ' ' HA ' ' A' ' 92' ' ' PHE . 19.5 p -117.17 137.19 52.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 121.627 -0.67 . . . . 0.41 112.268 -179.4 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.519 ' O ' ' HA ' ' A' ' 115' ' ' THR . 2.5 tp10 -116.28 113.5 23.08 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.42 -0.809 . . . . 1.31 109.353 173.781 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 57.2 m -118.87 120.26 36.8 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.12 0.486 . . . . 0.51 111.037 -177.845 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' HIS . . . . . 0.592 ' HB3' ' CE1' ' A' ' 88' ' ' HIS . 24.9 m170 -99.11 120.09 38.91 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.929 -0.578 . . . . 1.69 110.42 -179.68 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.553 ' O ' ' HB2' ' A' ' 88' ' ' HIS . 11.1 mt -117.11 111.58 35.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 121.263 0.554 . . . . 0.75 110.695 175.031 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.529 ' HA ' ' CB ' ' A' ' 88' ' ' HIS . 96.7 mttt -69.21 137.83 53.53 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-N 115.2 -0.909 . . . . 1.61 112.389 -176.858 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.528 ' CG2' ' HA ' ' A' ' 88' ' ' HIS . 2.3 t -62.46 -37.3 78.43 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.502 0 CA-C-N 114.371 -1.286 . . . . 1.32 110.396 177.259 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 42.0 m-20 -78.14 -50.15 12.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.482 -0.781 . . . . 2.5 110.371 -176.003 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.421 ' O ' ' HB2' ' A' ' 106' ' ' LYS . 14.1 t70 -134.02 95.38 17.08 Favored Pre-proline 0 C--N 1.326 -0.426 0 CA-C-O 121.308 0.575 . . . . 2.39 110.008 179.486 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 68.6 Cg_endo -73.72 1.84 6.53 Favored 'Trans proline' 0 C--N 1.33 -0.399 0 C-N-CA 123.379 2.719 . . . . 0.9 113.478 -177.741 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 33.9 p -97.07 -18.79 19.14 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 120.711 -0.396 . . . . 1.47 110.994 179.419 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -90.94 49.99 1.73 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.733 0.778 . . . . 1.59 109.679 176.093 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.467 HG12 HG12 ' A' ' 105' ' ' ILE . 13.5 m -67.74 171.94 0.81 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.532 0 CA-C-N 114.926 -1.034 . . . . 1.6 111.968 178.639 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -155.75 133.09 10.89 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-N 115.258 -0.883 . . . . 2.78 109.663 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' THR . . . . . 0.519 ' HA ' ' O ' ' A' ' 102' ' ' GLU . 85.2 m -130.77 128.49 40.87 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.347 0.594 . . . . 0.53 112.211 -174.153 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -107.03 157.41 17.84 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.383 -1.34 . . . . 0.96 107.383 172.346 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' GLU . . . . . 0.489 ' HG2' HG22 ' A' ' 101' ' ' THR . 46.5 mt-10 -131.61 122.85 26.72 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.041 -0.726 . . . . 1.27 109.041 177.814 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 118' ' ' TYR . . . . . 0.552 ' HB2' ' HB3' ' A' ' 100' ' ' LEU . 90.9 m-85 -92.19 94.92 9.44 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.277 -0.419 . . . . 0.6 110.079 -177.896 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 50.3 ttt180 -101.86 153.03 20.21 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.994 -0.548 . . . . 3.41 109.923 177.74 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' ARG . . . . . 0.521 ' HG3' ' HB3' ' A' ' 6' ' ' LYS . 6.1 mmm180 -106.07 135.74 46.99 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.729 -0.471 . . . . 1.96 109.729 172.728 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -148.65 110.96 4.67 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.662 -0.496 . . . . 1.08 109.662 175.505 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 71.3 -133.22 21.74 Favored Glycine 0 N--CA 1.445 -0.706 0 N-CA-C 110.85 -0.9 . . . . 0.92 110.85 -174.569 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -103.78 28.78 6.31 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.266 0.555 . . . . 2.31 109.84 175.637 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 86.9 m-85 -126.33 143.56 51.12 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 115.662 -0.699 . . . . 0.67 110.62 -178.433 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 40.4 tp -84.75 121.58 27.88 Favored 'General case' 0 N--CA 1.443 -0.796 0 N-CA-C 107.802 -1.185 . . . . 1.03 107.802 168.043 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 58.8 t -114.81 114.78 47.53 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.143 0 CA-C-O 121.244 0.545 . . . . 0.47 109.547 -174.686 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' MET . . . . . 0.493 ' O ' ' HA ' ' A' ' 137' ' ' SER . 31.1 ttm -91.56 136.28 33.25 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-N 115.512 -0.767 . . . . 1.08 110.369 -178.564 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 15.9 tppt? -117.56 121.42 40.91 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 108.834 -0.802 . . . . 2.2 108.834 176.256 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 129' ' ' MET . . . . . 0.54 ' HB2' ' CG2' ' A' ' 136' ' ' THR . 23.5 mtp -122.68 122.82 39.69 Favored 'General case' 0 C--N 1.316 -0.88 0 N-CA-C 108.155 -1.054 . . . . 1.11 108.155 178.434 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 130' ' ' SER . . . . . 0.581 ' HA ' ' O ' ' A' ' 134' ' ' VAL . 13.5 p -129.24 129.67 45.27 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.408 0.623 . . . . 1.06 112.01 -175.839 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 131' ' ' TRP . . . . . 0.513 ' CD1' ' HG2' ' A' ' 132' ' ' LYS . 34.7 t-105 -148.76 131.48 15.97 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 114.976 -1.011 . . . . 0.76 109.368 177.661 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 132' ' ' LYS . . . . . 0.513 ' HG2' ' CD1' ' A' ' 131' ' ' TRP . 75.5 mmtt 56.43 32.59 20.94 Favored 'General case' 0 C--N 1.327 -0.374 0 O-C-N 123.444 0.465 . . . . 1.96 111.146 -177.328 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 85.61 -13.2 56.88 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 121.095 -0.574 . . . . 0.53 112.758 -179.027 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 134' ' ' VAL . . . . . 0.581 ' O ' ' HA ' ' A' ' 130' ' ' SER . 13.1 t -80.41 109.23 14.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.541 0.17 . . . . 0.43 110.659 -177.742 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -98.13 133.29 42.78 Favored 'General case' 0 N--CA 1.444 -0.759 0 CA-C-O 121.088 0.47 . . . . 1.14 110.696 174.028 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 136' ' ' THR . . . . . 0.54 ' CG2' ' HB2' ' A' ' 129' ' ' MET . 5.2 t -121.45 134.99 55.09 Favored 'General case' 0 C--N 1.312 -1.047 0 CA-C-N 115.478 -0.783 . . . . 0.4 109.31 173.783 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 137' ' ' SER . . . . . 0.493 ' HA ' ' O ' ' A' ' 127' ' ' MET . 4.0 m -113.18 113.34 25.21 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.133 -0.485 . . . . 0.79 110.179 -177.845 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 38.1 mtp180 -98.97 122.76 42.66 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.464 -0.569 . . . . 1.84 109.464 178.038 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 92.6 m-85 -97.39 111.83 23.92 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.983 -0.553 . . . . 0.64 110.763 -174.848 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 81.7 m-85 -107.61 132.48 53.25 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.582 -0.735 . . . . 0.6 110.351 179.645 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 15.2 ptpt -104.87 168.82 8.81 Favored 'General case' 0 C--N 1.313 -0.983 0 N-CA-C 107.472 -1.307 . . . . 1.92 107.472 172.66 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 142' ' ' LYS . . . . . 0.47 ' O ' ' HG3' ' A' ' 12' ' ' LYS . 14.6 mmmm -59.62 178.78 0.14 Allowed 'General case' 0 C--N 1.317 -0.847 0 CA-C-O 121.884 0.85 . . . . 2.13 111.674 171.823 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 20.6 mm-40 . . . . . 0 C--O 1.249 1.031 0 CA-C-N 115.377 -0.828 . . . . 1.46 109.551 159.989 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A 1001 ' ' OLA . . . . . 0.545 H183 HG21 ' A' ' 36' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' -11' ' ' MET . . . . . . . . . . . . . 88.7 mtp . . . . . 0 N--CA 1.482 1.154 0 CA-C-O 120.849 0.357 . . . . 14.47 110.566 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' -10' ' ' ARG . . . . . . . . . . . . . 16.5 ptm180 -84.56 153.94 22.93 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.142 -0.481 . . . . 15.82 110.522 -179.742 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' -9' ' ' GLY . . . . . . . . . . . . . . . 139.95 33.43 0.15 Allowed Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 120.806 -0.712 . . . . 11.88 111.944 179.113 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' -8' ' ' SER . . . . . . . . . . . . . 49.8 m 56.15 45.66 22.94 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-O 121.4 0.619 . . . . 11.68 111.082 -178.781 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' -7' ' ' HIS . . . . . . . . . . . . . 39.1 m80 -80.78 87.27 5.88 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.656 -0.702 . . . . 11.79 110.922 -178.778 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' -6' ' ' HIS . . . . . . . . . . . . . 8.9 p-80 -144.0 76.47 1.51 Allowed 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.449 0.642 . . . . 10.98 110.933 177.185 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' -5' ' ' HIS . . . . . . . . . . . . . 24.2 m170 64.69 71.76 0.46 Allowed 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 115.234 -0.894 . . . . 9.31 111.598 175.004 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' -4' ' ' HIS . . . . . . . . . . . . . 7.5 m-70 -102.98 -56.87 2.14 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.936 -0.575 . . . . 10.54 110.518 174.472 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' -3' ' ' HIS . . . . . . . . . . . . . 34.5 m80 -108.08 15.12 24.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.115 -0.493 . . . . 8.73 110.594 178.244 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 18.4 t-80 -137.11 84.32 2.05 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.296 0.569 . . . . 7.06 110.254 -179.224 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -103.66 -29.65 5.52 Favored Glycine 0 N--CA 1.448 -0.534 0 CA-C-N 115.742 -0.663 . . . . 3.5 112.3 -179.615 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 39.0 m -101.88 125.34 48.53 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-O 120.951 0.405 . . . . 3.11 111.607 -177.382 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.51 ' HD2' ' HB2' ' A' ' 94' ' ' LEU . 66.1 mttm -71.87 156.82 38.86 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 108.29 -1.004 . . . . 2.99 108.29 166.45 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -99.33 128.68 45.48 Favored 'General case' 0 C--N 1.31 -1.119 0 C-N-CA 120.652 -0.419 . . . . 0.99 110.019 177.793 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.552 ' HB2' ' CZ ' ' A' ' 56' ' ' TYR . 6.2 mt -59.21 126.06 80.61 Favored Pre-proline 0 C--N 1.327 -0.39 0 CA-C-N 115.898 -0.592 . . . . 0.59 111.872 -177.311 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -58.66 126.94 22.74 Favored 'Trans proline' 0 N--CA 1.456 -0.678 0 C-N-CA 122.468 2.112 . . . . 0.61 110.678 171.004 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.499 ' HA ' HD12 ' A' ' 8' ' ' LEU . 10.8 t70 -48.02 -29.41 3.47 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 115.454 -0.793 . . . . 2.19 111.991 178.57 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.512 ' O ' ' HD3' ' A' ' 120' ' ' ARG . 60.1 mttp -64.65 -17.91 64.47 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 113.018 0.747 . . . . 2.53 113.018 179.004 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -98.51 -0.8 42.63 Favored 'General case' 0 C--N 1.327 -0.397 0 O-C-N 121.51 -0.744 . . . . 0.6 110.22 177.701 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.52 HD23 ' HB3' ' A' ' 45' ' ' PHE . 88.1 mt -102.03 142.92 32.56 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.13 0.491 . . . . 0.46 111.603 -172.662 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 133.96 176.54 14.43 Favored Glycine 0 N--CA 1.446 -0.64 0 CA-C-N 115.428 -0.806 . . . . 0.52 112.051 -178.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.549 HG23 ' HG2' ' A' ' 44' ' ' LYS . 31.0 m -108.03 125.26 51.34 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.685 -0.487 . . . . 1.05 109.685 176.27 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 69.1 m-85 -116.22 132.71 56.59 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 112.797 0.665 . . . . 0.47 112.797 -171.337 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.514 ' HG3' ' HA ' ' A' ' 143' ' ' GLN . 48.2 mttp -70.54 -171.1 0.46 Allowed 'General case' 0 C--N 1.345 0.407 0 CA-C-O 121.222 0.534 . . . . 2.19 111.001 163.362 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.473 HD12 ' HB ' ' A' ' 41' ' ' VAL . 2.4 tt -137.83 111.81 8.4 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.574 -0.528 . . . . 1.14 109.574 -177.543 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -82.01 -51.99 7.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.521 0.201 . . . . 2.08 111.266 -179.418 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.426 HH11 ' HD2' ' A' ' 15' ' ' ARG . 17.6 ptt180 -161.16 179.6 8.25 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.915 0.388 . . . . 3.36 111.341 -174.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.433 ' HA ' ' HA ' ' A' ' 138' ' ' ARG . 3.5 p30 -146.53 164.33 32.92 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.791 -0.64 . . . . 1.19 109.964 178.685 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -142.53 130.11 21.37 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.68 -0.236 . . . . 2.66 110.943 -177.635 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 62.63 21.84 12.95 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 115.762 -0.654 . . . . 0.76 111.446 173.482 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 32.6 t80 -76.99 -40.63 46.06 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.669 -0.696 . . . . 0.49 110.575 -174.68 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -59.48 -44.59 93.0 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.123 -0.49 . . . . 2.04 110.171 176.765 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.539 ' HA ' ' HE2' ' A' ' 24' ' ' LYS . 51.0 mm-40 -53.22 -43.87 67.6 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 115.776 -0.647 . . . . 1.79 110.638 175.056 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 89.8 t80 -60.66 -36.88 79.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.917 -0.583 . . . . 0.57 111.312 178.677 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 61.7 mt -65.47 -39.0 91.45 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.811 0.339 . . . . 0.37 110.761 -177.266 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.539 ' HE2' ' HA ' ' A' ' 21' ' ' GLU . 53.8 mtmt -65.46 -43.05 91.54 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.196 0.522 . . . . 1.88 109.954 177.114 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.42 ' HB2' HG21 ' A' ' 134' ' ' VAL . . . -58.22 -42.01 85.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.384 -0.825 . . . . 0.44 111.448 178.014 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 16.1 mmm180 -75.41 -6.75 51.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.12 -0.491 . . . . 1.29 111.719 -179.315 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 87.25 20.95 51.04 Favored Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 120.636 -0.793 . . . . 0.62 112.703 175.479 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 58.7 m-85 -77.37 127.32 32.37 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.876 -0.416 . . . . 0.64 109.876 176.871 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -73.8 177.06 45.15 Favored Glycine 0 N--CA 1.444 -0.821 0 C-N-CA 120.858 -0.686 . . . . 1.54 111.894 -179.588 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 73.8 t90 -50.65 -43.6 57.27 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.206 0.447 . . . . 1.18 112.206 -175.628 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.713 ' H ' HD12 ' A' ' 31' ' ' ILE . 3.0 mp -57.02 -57.4 10.02 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.798 0 CA-C-O 121.479 0.656 . . . . 2.16 110.049 -175.346 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.407 ' O ' HG13 ' A' ' 36' ' ' ILE . 70.7 mmm -67.3 -27.8 67.47 Favored 'General case' 0 N--CA 1.429 -1.491 0 CA-C-N 114.867 -1.06 . . . . 0.97 110.388 -176.568 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.569 ' O ' ' HD2' ' A' ' 37' ' ' LYS . 33.8 ttp180 -78.4 6.7 7.85 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.303 -0.862 . . . . 1.87 110.46 -179.03 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 25.0 mm-40 -115.57 -21.85 9.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.841 -0.618 . . . . 1.97 110.192 171.69 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 98.2 t -90.24 -60.91 2.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 121.094 0.473 . . . . 0.68 111.382 -178.118 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.536 ' HA ' ' H9 ' ' A' 1001 ' ' OLA . 44.0 mt -47.83 -40.62 8.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 C-N-CA 124.018 0.927 . . . . 0.51 113.387 -178.347 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.569 ' HD2' ' O ' ' A' ' 33' ' ' ARG . 0.1 OUTLIER -97.83 23.77 7.6 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.885 0.374 . . . . 0.97 111.652 -178.821 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.456 ' C ' HD13 ' A' ' 38' ' ' LEU . 0.6 OUTLIER -122.68 -44.88 2.2 Favored 'General case' 0 N--CA 1.445 -0.702 0 N-CA-C 108.835 -0.802 . . . . 2.08 108.835 177.156 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -52.13 128.68 25.5 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 115.803 -0.635 . . . . 1.03 111.815 177.048 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.543 ' O ' ' HA ' ' A' ' 62' ' ' THR . . . -75.56 149.67 38.83 Favored Glycine 0 N--CA 1.444 -0.779 0 N-CA-C 110.873 -0.891 . . . . 0.84 110.873 173.646 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.473 ' HB ' HD12 ' A' ' 13' ' ' LEU . 12.2 t -125.72 131.74 71.62 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-O 121.013 0.435 . . . . 1.3 111.251 -174.125 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.419 HG23 HE21 ' A' ' 143' ' ' GLN . 49.1 m -111.46 111.33 22.28 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.593 -0.73 . . . . 0.45 110.026 173.145 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 38.0 mmtm -85.5 134.88 34.02 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.592 -0.276 . . . . 0.79 110.258 178.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.549 ' HG2' HG23 ' A' ' 10' ' ' THR . 98.5 mttt -130.4 118.55 21.37 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.627 0.251 . . . . 1.96 110.583 178.225 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.52 ' HB3' HD23 ' A' ' 8' ' ' LEU . 86.9 m-85 -122.94 126.54 47.43 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 109.347 -0.612 . . . . 0.54 109.347 173.623 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.471 ' HG3' ' HB3' ' A' ' 57' ' ' ASP . 2.8 ptm180 -156.13 166.14 34.35 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 120.895 0.379 . . . . 3.17 110.96 -175.208 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.404 ' HA ' ' CD2' ' A' ' 56' ' ' TYR . 19.0 m120 -62.64 154.7 28.34 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 108.987 -0.745 . . . . 1.85 108.987 172.354 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.452 ' HB1' ' OD1' ' A' ' 71' ' ' ASP . . . -58.01 141.36 50.02 Favored 'General case' 0 CA--C 1.518 -0.28 0 CA-C-O 121.372 0.606 . . . . 0.87 110.905 -177.041 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.4 -35.62 81.5 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 114.92 -1.036 . . . . 1.48 111.7 -171.524 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 42.1 p -75.56 9.23 2.33 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.138 0.421 . . . . 2.37 112.138 176.901 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 63.33 29.87 75.82 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 121.004 -0.617 . . . . 1.91 112.531 -179.063 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 6.1 tmtt? -84.96 114.39 55.48 Favored Pre-proline 0 C--N 1.322 -0.594 0 N-CA-C 110.026 -0.361 . . . . 3.17 110.026 -177.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.457 ' O ' ' HB2' ' A' ' 54' ' ' ASP . 88.3 Cg_exo -51.69 140.8 45.64 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 123.122 2.548 . . . . 1.84 113.228 179.284 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.457 ' HB2' ' O ' ' A' ' 53' ' ' PRO . 29.9 m-20 82.3 -48.92 0.2 Allowed 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 114.769 -1.105 . . . . 2.44 110.436 177.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 55.3 mtp180 -66.71 145.44 55.54 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.313 0.578 . . . . 4.1 111.653 175.318 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.552 ' CZ ' ' HB2' ' A' ' 3' ' ' LEU . 76.5 m-85 -124.74 -178.86 4.29 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.6 -0.727 . . . . 0.97 110.252 178.574 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.648 ' OD2' ' HA ' ' A' ' 70' ' ' LYS . 14.1 t70 -136.87 136.87 39.08 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 108.511 -0.922 . . . . 1.1 108.511 177.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.423 ' N ' ' HE1' ' A' ' 72' ' ' TRP . 1.5 tmt? -140.12 140.4 36.01 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 110.024 -0.361 . . . . 0.98 110.024 -174.808 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.504 ' HG3' ' O ' ' A' ' 67' ' ' THR . 41.2 tt0 -142.08 147.37 36.67 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.092 0.472 . . . . 1.11 111.79 -173.335 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.607 ' HB2' ' OG1' ' A' ' 67' ' ' THR . 48.3 m-80 -127.64 106.8 9.4 Favored 'General case' 0 CA--C 1.516 -0.342 0 CA-C-N 115.659 -0.7 . . . . 1.17 109.328 175.862 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 65.4 tp -103.76 127.5 51.23 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 109.955 -0.387 . . . . 1.67 109.955 177.193 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.543 ' HA ' ' O ' ' A' ' 40' ' ' GLY . 71.1 p -128.32 -177.85 4.32 Favored 'General case' 0 N--CA 1.443 -0.776 0 N-CA-C 109.626 -0.509 . . . . 0.45 109.626 -178.88 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.404 HG23 ' H ' ' A' ' 40' ' ' GLY . 30.4 p -80.83 -30.54 35.74 Favored 'General case' 0 C--N 1.313 -1.0 0 CA-C-O 121.394 0.616 . . . . 0.54 110.461 179.204 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 53.3 tptt -101.73 -22.55 14.38 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.462 -0.79 . . . . 2.24 111.38 -174.414 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.464 ' HD2' ' HA ' ' A' ' 65' ' ' LYS . 8.2 mmmt -139.5 -155.64 0.61 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.099 0.476 . . . . 1.82 112.267 -174.845 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 171.96 130.53 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 114.787 -1.097 . . . . 2.12 108.763 -166.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.607 ' OG1' ' HB2' ' A' ' 60' ' ' ASN . 59.5 p -147.4 143.62 28.09 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 109.366 -0.605 . . . . 0.56 109.366 178.158 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 9.4 t-160 -143.67 99.87 3.49 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.288 0.566 . . . . 1.95 110.203 -177.756 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 21.4 m-70 -78.53 83.47 4.72 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 108.696 -0.853 . . . . 0.39 108.696 176.789 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.648 ' HA ' ' OD2' ' A' ' 57' ' ' ASP . 7.7 ptpp? -75.07 117.78 17.29 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.752 -0.658 . . . . 2.3 112.193 -174.763 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.452 ' OD1' ' HB1' ' A' ' 48' ' ' ALA . 9.9 m-20 52.87 81.52 0.08 Allowed 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 115.263 -0.88 . . . . 2.07 111.95 174.337 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' TRP . . . . . 0.423 ' HE1' ' N ' ' A' ' 58' ' ' MET . 66.0 p-90 -118.31 146.06 44.62 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.944 -0.571 . . . . 0.43 110.117 177.434 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -96.16 143.71 27.04 Favored 'General case' 0 C--N 1.321 -0.66 0 O-C-N 122.286 -0.259 . . . . 0.55 110.816 178.675 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.432 ' HG ' ' O ' ' A' ' 1' ' ' LYS . 0.1 OUTLIER -50.31 114.11 1.04 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.379 -0.373 . . . . 1.71 110.81 171.202 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 91.79 21.75 32.9 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 121.207 -0.52 . . . . 0.59 112.434 -178.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -110.32 125.22 52.93 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.298 0.57 . . . . 2.37 111.217 -176.007 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -90.31 115.68 27.7 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.226 -0.897 . . . . 1.4 109.077 171.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 41.6 p90 -129.02 150.05 50.59 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.261 -0.427 . . . . 0.57 110.659 -175.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 53.0 tt0 -85.34 142.85 29.03 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.577 -0.527 . . . . 1.95 109.577 176.274 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 38.6 t0 -164.97 171.22 14.27 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 109.311 -0.626 . . . . 1.26 109.311 -174.575 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.511 ' HA ' ' O ' ' A' ' 86' ' ' THR . 35.3 tt0 -99.09 111.67 24.01 Favored 'General case' 0 CA--C 1.504 -0.802 0 N-CA-C 108.495 -0.928 . . . . 2.13 108.495 175.024 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.59 ' HB2' HD11 ' A' ' 90' ' ' ILE . . . -90.62 -178.68 5.36 Favored 'General case' 0 C--N 1.308 -1.204 0 CA-C-N 115.249 -0.887 . . . . 0.95 111.839 -176.476 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.543 HD22 ' H ' ' A' ' 83' ' ' LEU . 2.9 mm? -56.16 -30.28 61.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.982 0.42 . . . . 1.34 110.478 -177.879 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.498 ' OD1' ' HB3' ' A' ' 82' ' ' ALA . 17.7 p-10 -77.71 11.38 2.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.889 -0.596 . . . . 1.55 111.134 -178.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 15.7 m 65.54 15.35 9.99 Favored 'General case' 0 N--CA 1.465 0.302 0 N-CA-C 113.8 1.037 . . . . 1.21 113.8 166.57 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.511 ' O ' ' HA ' ' A' ' 81' ' ' GLU . 12.4 p -113.48 166.31 11.62 Favored 'General case' 0 C--N 1.319 -0.756 0 C-N-CA 120.737 -0.385 . . . . 0.93 110.475 175.853 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 2.6 mm100 -102.34 99.11 9.15 Favored 'General case' 0 CA--C 1.511 -0.553 0 N-CA-C 107.789 -1.189 . . . . 1.88 107.789 -178.367 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' HIS . . . . . 0.498 ' CB ' ' HA ' ' A' ' 106' ' ' LYS . 23.9 p80 -138.46 172.18 13.27 Favored 'General case' 0 C--N 1.314 -0.957 0 C-N-CA 120.43 -0.508 . . . . 1.04 110.876 -173.108 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 43.6 mtmt -73.76 149.37 41.8 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.935 -0.575 . . . . 1.49 110.324 -178.521 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.59 HD11 ' HB2' ' A' ' 82' ' ' ALA . 72.0 mt -147.0 128.67 6.52 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.876 0 CA-C-N 115.473 -0.785 . . . . 0.54 109.785 179.578 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 24.7 m -105.93 130.32 53.9 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-O 120.877 0.37 . . . . 0.43 110.832 179.104 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.468 ' CE1' ' HG3' ' A' ' 102' ' ' GLU . 1.8 m-85 -112.86 124.52 52.78 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 108.79 -0.818 . . . . 0.6 108.79 174.08 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -163.33 164.35 24.85 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 120.846 0.355 . . . . 1.69 110.089 -177.05 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.51 ' HB2' ' HD2' ' A' ' 1' ' ' LYS . 2.7 mm? -100.85 111.1 23.24 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 109.519 -0.548 . . . . 1.12 109.519 179.769 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 46.3 tptt -77.56 -41.06 40.3 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 108.557 -0.905 . . . . 3.03 108.557 -175.807 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 -134.65 162.51 57.28 Favored Pre-proline 0 C--N 1.322 -0.597 0 CA-C-N 114.483 -1.235 . . . . 1.79 107.793 174.014 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_exo -68.68 5.55 1.27 Allowed 'Trans proline' 0 CA--C 1.529 0.267 0 C-N-CA 123.046 2.497 . . . . 0.98 112.504 -178.821 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 19.0 m120 -136.34 13.52 3.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.125 -0.488 . . . . 2.32 110.532 175.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 28.2 m -145.18 112.65 6.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.047 0.451 . . . . 0.56 111.82 -176.769 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.5 HD23 ' N ' ' A' ' 101' ' ' THR . 2.8 tt -91.85 134.75 34.48 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.873 -1.158 . . . . 1.1 107.873 175.496 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.5 ' N ' HD23 ' A' ' 100' ' ' LEU . 5.7 p -117.03 131.99 56.81 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 118.798 0.726 . . . . 0.41 112.03 -179.598 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.468 ' HG3' ' CE1' ' A' ' 92' ' ' PHE . 32.9 tt0 -112.67 105.46 13.63 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.321 -0.854 . . . . 1.31 109.121 174.523 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 27.0 m -101.58 115.69 31.09 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 120.786 0.327 . . . . 0.51 110.785 -177.394 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 30.8 m170 -89.88 114.37 26.13 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.345 -0.389 . . . . 1.69 110.125 177.901 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.472 ' O ' ' HB2' ' A' ' 88' ' ' HIS . 11.1 mt -108.28 104.22 16.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 121.256 0.55 . . . . 0.75 110.537 175.235 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.498 ' HA ' ' CB ' ' A' ' 88' ' ' HIS . 56.8 mttm -59.17 119.13 6.76 Favored 'General case' 0 C--N 1.313 -1.014 0 CA-C-N 115.178 -0.919 . . . . 1.61 110.682 176.527 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.486 HG13 ' HA ' ' A' ' 88' ' ' HIS . 12.2 m -63.29 -22.92 31.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.274 -0.875 . . . . 1.32 110.878 178.548 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -80.37 -45.32 17.94 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.433 -0.803 . . . . 2.5 110.295 178.305 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -140.33 90.84 10.08 Favored Pre-proline 0 C--N 1.325 -0.499 0 CA-C-O 121.426 0.632 . . . . 2.39 109.765 179.378 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -72.78 -0.45 8.95 Favored 'Trans proline' 0 N--CA 1.464 -0.249 0 C-N-CA 123.359 2.706 . . . . 0.9 113.448 -175.492 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 36.4 p -93.93 -12.64 28.36 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.145 0.498 . . . . 1.47 110.863 178.221 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -100.79 54.71 0.86 Allowed 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.493 0.663 . . . . 1.59 109.914 176.116 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.445 HG12 HG12 ' A' ' 105' ' ' ILE . 8.3 m -71.64 161.03 4.96 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.607 0 CA-C-N 115.346 -0.843 . . . . 1.6 112.274 178.677 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -144.72 131.16 19.77 Favored 'General case' 0 C--N 1.313 -1.013 0 CA-C-N 114.669 -1.15 . . . . 2.78 108.95 178.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' THR . . . . . 0.56 ' O ' ' HG3' ' A' ' 129' ' ' MET . 39.7 m -123.72 118.62 27.64 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.328 0.585 . . . . 0.53 111.532 -171.72 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 116' ' ' TYR . . . . . 0.42 ' CD1' ' N ' ' A' ' 116' ' ' TYR . 2.1 m-85 -99.49 148.34 24.35 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 107.169 -1.419 . . . . 0.96 107.169 177.86 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 117' ' ' GLU . . . . . 0.484 ' HG2' HG22 ' A' ' 101' ' ' THR . 23.7 mt-10 -137.26 125.04 22.46 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 119.053 0.842 . . . . 1.27 108.809 -172.154 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 118' ' ' TYR . . . . . 0.476 ' HB2' ' HB3' ' A' ' 100' ' ' LEU . 53.0 m-85 -103.64 119.99 40.01 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.045 0.45 . . . . 0.6 111.267 -174.768 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 82.4 mtm180 -123.89 153.83 40.58 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.441 -0.8 . . . . 3.41 109.303 176.816 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' ARG . . . . . 0.541 HH21 ' HA ' ' A' ' 123' ' ' ASP . 9.0 tpt180 -111.35 129.93 55.84 Favored 'General case' 0 C--N 1.32 -0.677 0 C-N-CA 120.774 -0.371 . . . . 1.96 110.487 178.633 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -124.76 90.6 3.28 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.504 -0.554 . . . . 1.08 109.504 175.584 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 66.63 -106.41 1.62 Allowed Glycine 0 N--CA 1.445 -0.706 0 CA-C-N 115.559 -0.746 . . . . 0.92 111.769 -177.814 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' ASP . . . . . 0.541 ' HA ' HH21 ' A' ' 120' ' ' ARG . 8.4 p-10 -103.0 -1.59 29.02 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 120.677 0.275 . . . . 2.31 111.08 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -102.15 134.81 44.82 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.584 -0.28 . . . . 0.67 111.248 -177.361 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.467 ' HB3' ' HB2' ' A' ' 140' ' ' TYR . 3.4 tm? -85.59 112.05 20.61 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 107.051 -1.463 . . . . 1.03 107.051 168.365 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 58.8 t -98.25 103.31 14.54 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 CA-C-O 121.459 0.647 . . . . 0.47 110.092 -171.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 127' ' ' MET . . . . . 0.593 ' O ' ' HA ' ' A' ' 137' ' ' SER . 9.5 tpt -70.38 129.33 39.0 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-N 114.619 -1.173 . . . . 1.08 109.603 179.44 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 23.9 tptm -126.93 136.19 51.95 Favored 'General case' 0 C--N 1.315 -0.916 0 N-CA-C 109.193 -0.669 . . . . 2.2 109.193 178.462 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 129' ' ' MET . . . . . 0.56 ' HG3' ' O ' ' A' ' 115' ' ' THR . 20.8 ttp -160.74 140.73 11.1 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 109.107 -0.701 . . . . 1.11 109.107 178.309 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 20.9 t -142.95 147.79 35.8 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.442 0.639 . . . . 1.06 111.535 -176.818 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 131' ' ' TRP . . . . . . . . . . . . . 61.7 t-105 -154.72 133.98 12.5 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 114.843 -1.072 . . . . 0.76 109.488 176.651 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 11.8 ttmm 56.58 37.49 28.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 123.645 0.591 . . . . 1.96 111.536 178.686 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 82.34 -17.91 16.6 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 121.096 -0.574 . . . . 0.53 112.655 -179.299 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 134' ' ' VAL . . . . . 0.42 HG21 ' HB2' ' A' ' 25' ' ' ALA . 25.5 t -79.5 112.64 17.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 N-CA-C 110.145 -0.317 . . . . 0.43 110.145 -179.008 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -105.51 135.3 47.16 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 121.176 0.512 . . . . 1.14 111.407 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 7.2 t -127.2 152.82 46.86 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 115.782 -0.644 . . . . 0.4 110.476 178.615 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 137' ' ' SER . . . . . 0.593 ' HA ' ' O ' ' A' ' 127' ' ' MET . 52.4 m -142.98 130.4 21.09 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.146 -0.479 . . . . 0.79 110.665 176.485 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 138' ' ' ARG . . . . . 0.433 ' HA ' ' HA ' ' A' ' 16' ' ' ASP . 25.5 mtt180 -99.84 149.41 23.41 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.336 -0.616 . . . . 1.84 109.336 171.317 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 95.7 m-85 -109.09 100.62 9.76 Favored 'General case' 0 C--N 1.313 -0.996 0 N-CA-C 109.448 -0.575 . . . . 0.64 109.448 177.774 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 140' ' ' TYR . . . . . 0.467 ' HB2' ' HB3' ' A' ' 125' ' ' LEU . 51.6 m-85 -92.04 126.23 37.04 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.257 -0.883 . . . . 0.6 110.52 -175.266 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 141' ' ' LYS . . . . . 0.425 ' O ' ' N ' ' A' ' 12' ' ' LYS . 4.0 tppp? -89.35 155.79 19.12 Favored 'General case' 0 C--O 1.206 -1.201 0 N-CA-C 107.563 -1.273 . . . . 1.92 107.563 177.892 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -58.4 161.46 4.41 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 118.946 0.794 . . . . 2.13 109.95 166.566 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 143' ' ' GLN . . . . . 0.514 ' HA ' ' HG3' ' A' ' 12' ' ' LYS . 69.6 mm-40 . . . . . 0 C--O 1.246 0.87 0 O-C-N 121.491 -0.756 . . . . 1.46 112.014 167.747 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1001 ' ' OLA . . . . . 0.536 ' H9 ' ' HA ' ' A' ' 36' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' -11' ' ' MET . . . . . . . . . . . . . 66.3 mtm . . . . . 0 N--CA 1.481 1.08 0 CA-C-O 120.751 0.31 . . . . 14.47 110.415 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' -10' ' ' ARG . . . . . . . . . . . . . 82.2 mtm180 -121.0 108.09 13.44 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.754 -0.462 . . . . 15.82 109.754 -179.523 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' -9' ' ' GLY . . . . . . . . . . . . . . . -63.17 -43.52 98.51 Favored Glycine 0 N--CA 1.45 -0.43 0 N-CA-C 111.556 -0.617 . . . . 11.88 111.556 178.313 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' -8' ' ' SER . . . . . 0.488 ' HA ' ' CD2' ' A' ' -5' ' ' HIS . 66.1 m 58.26 47.92 13.41 Favored 'General case' 0 C--N 1.33 -0.269 0 O-C-N 123.966 0.451 . . . . 11.68 111.735 176.327 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' -7' ' ' HIS . . . . . . . . . . . . . 23.2 p80 -69.4 -30.68 68.71 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.743 -0.466 . . . . 11.79 109.743 175.316 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' -6' ' ' HIS . . . . . . . . . . . . . 33.6 p80 175.59 115.41 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 115.465 -0.789 . . . . 10.98 109.665 168.64 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' -5' ' ' HIS . . . . . 0.488 ' CD2' ' HA ' ' A' ' -8' ' ' SER . 1.8 p80 -164.42 98.33 0.8 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.386 0.613 . . . . 9.31 110.443 176.508 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' -4' ' ' HIS . . . . . . . . . . . . . 27.0 t-80 -98.75 -51.97 3.74 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.921 -0.581 . . . . 10.54 109.778 178.525 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' -3' ' ' HIS . . . . . . . . . . . . . 94.7 m-70 -74.92 -27.33 60.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.193 0.52 . . . . 8.73 110.036 178.652 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 62.0 m-70 -104.38 28.26 7.07 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.32 -0.622 . . . . 7.06 109.32 171.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' -1' ' ' GLY . . . . . 0.443 ' HA3' ' O ' ' A' ' -5' ' ' HIS . . . -145.93 35.96 1.35 Allowed Glycine 0 N--CA 1.445 -0.727 0 CA-C-N 115.747 -0.661 . . . . 3.5 111.557 179.294 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 19.5 m -77.86 126.0 30.19 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.717 -0.475 . . . . 3.11 109.717 178.496 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.676 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 83.6 mttt -70.24 94.29 0.9 Allowed 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.966 -0.561 . . . . 2.99 110.125 -178.776 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 17.1 m -62.4 146.02 52.45 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.199 -0.455 . . . . 0.99 109.968 -174.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.75 ' HB2' ' CE1' ' A' ' 56' ' ' TYR . 3.2 mt -58.04 121.39 50.43 Favored Pre-proline 0 CA--C 1.516 -0.334 0 CA-C-O 120.696 0.284 . . . . 0.59 111.106 -177.372 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.421 ' HD2' HD23 ' A' ' 3' ' ' LEU . 43.9 Cg_endo -73.79 140.11 28.61 Favored 'Trans proline' 0 N--CA 1.453 -0.873 0 C-N-CA 122.555 2.17 . . . . 0.61 110.811 173.869 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.497 ' HA ' HD12 ' A' ' 8' ' ' LEU . 5.8 p-10 -51.44 -24.39 4.93 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 115.289 -0.869 . . . . 2.19 112.646 -176.262 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.561 ' HD2' ' H ' ' A' ' 6' ' ' LYS . 3.3 mptp? -58.22 -29.86 66.05 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.26 0.467 . . . . 2.53 112.26 -179.643 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 35.1 m-85 -92.25 -1.9 56.81 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.46 -0.496 . . . . 0.6 111.416 -178.454 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.497 HD12 ' HA ' ' A' ' 5' ' ' ASP . 98.8 mt -96.36 150.77 20.21 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.401 0.62 . . . . 0.46 112.029 -170.306 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 125.34 164.83 11.94 Favored Glycine 0 N--CA 1.442 -0.915 0 CA-C-N 114.876 -1.056 . . . . 0.52 111.437 -177.756 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.402 HG23 ' HG2' ' A' ' 44' ' ' LYS . 91.3 m -91.5 123.75 35.15 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 109.385 -0.598 . . . . 1.05 109.385 174.457 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.425 ' HA ' ' HA ' ' A' ' 142' ' ' LYS . 74.0 m-85 -116.51 129.58 56.28 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.404 -0.362 . . . . 0.47 111.234 -175.549 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.568 ' HB3' ' CD ' ' A' ' 143' ' ' GLN . 13.2 ptmm? -91.19 134.4 34.58 Favored 'General case' 0 C--O 1.234 0.289 0 C-N-CA 120.052 -0.659 . . . . 2.19 110.355 172.47 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.403 HD11 ' CZ ' ' A' ' 138' ' ' ARG . 3.6 tt -58.38 124.93 21.21 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 108.981 -0.748 . . . . 1.14 108.981 172.482 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.403 ' HA ' ' OE2' ' A' ' 14' ' ' GLU . 3.5 tp10 -101.68 -45.29 5.3 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.96 0.41 . . . . 2.08 110.511 -178.482 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 8.4 ptp180 -158.65 176.73 12.02 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.118 -0.492 . . . . 3.36 109.947 -178.881 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.439 ' HA ' ' HA ' ' A' ' 138' ' ' ARG . 6.8 p30 -148.49 165.65 30.53 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.981 0.42 . . . . 1.19 111.401 178.115 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -146.28 124.31 12.09 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.646 -0.706 . . . . 2.66 110.776 -174.737 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 57.6 t30 69.89 23.12 5.64 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-O 121.632 0.729 . . . . 0.76 111.019 174.606 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 26.0 t80 -76.72 -37.19 56.49 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.662 -0.699 . . . . 0.49 110.99 -174.226 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -60.02 -47.12 87.14 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 110.3 -0.259 . . . . 2.04 110.3 177.36 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -55.27 -42.75 73.95 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 116.395 -0.366 . . . . 1.79 111.269 176.314 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 80.7 t80 -59.46 -40.81 88.08 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.268 -0.424 . . . . 0.57 110.67 176.176 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.494 HD13 ' HA ' ' A' ' 33' ' ' ARG . 84.9 mt -67.14 -38.1 84.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.914 0.388 . . . . 0.37 110.586 -177.679 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 25.8 mtpp -61.34 -51.08 70.34 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.969 -0.56 . . . . 1.88 109.944 176.494 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.35 -38.9 88.63 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.134 -0.939 . . . . 0.44 110.929 178.41 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 13.0 tpt180 -71.55 -9.03 57.59 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.073 -0.512 . . . . 1.29 111.233 -177.05 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 99.67 30.38 6.52 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.518 -0.849 . . . . 0.62 113.58 173.42 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 71.5 m-85 -107.45 117.03 33.03 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.283 0.563 . . . . 0.64 109.995 176.068 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -65.84 -64.06 3.65 Favored Glycine 0 C--O 1.228 -0.275 0 CA-C-N 114.746 -1.116 . . . . 1.54 114.078 -173.066 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 86.1 t90 -156.89 -60.17 0.09 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 117.316 0.558 . . . . 1.18 111.306 -177.534 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 1.1 mm -51.63 -50.63 29.95 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.202 0 CA-C-O 120.977 0.418 . . . . 2.16 111.748 -178.217 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.644 ' O ' HG13 ' A' ' 36' ' ' ILE . 63.9 mmm -57.99 -38.99 77.12 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.843 -0.617 . . . . 0.97 111.462 179.227 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.628 ' O ' ' HG2' ' A' ' 37' ' ' LYS . 11.5 mtm180 -63.5 -26.56 68.77 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.974 0.416 . . . . 1.87 110.081 -179.64 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 84.9 mm-40 -77.89 -22.06 50.32 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.819 -0.628 . . . . 1.97 110.455 -179.645 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.421 ' CG1' ' HG3' ' A' ' 64' ' ' LYS . 50.8 t -89.69 -65.16 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-O 121.205 0.526 . . . . 0.68 110.69 176.144 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.644 HG13 ' O ' ' A' ' 32' ' ' MET . 26.4 mt -46.35 -49.91 5.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 N-CA-C 114.819 1.414 . . . . 0.51 114.819 -172.593 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.628 ' HG2' ' O ' ' A' ' 33' ' ' ARG . 46.6 pttt -82.53 -3.13 55.43 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 119.554 -0.858 . . . . 0.97 111.842 -174.279 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.504 HD22 ' HG3' ' A' ' 37' ' ' LYS . 4.6 mm? -96.25 -5.56 40.03 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.926 0.393 . . . . 2.08 110.512 178.245 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -81.16 108.23 14.64 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.117 -0.492 . . . . 1.03 111.122 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -82.18 61.26 4.72 Favored Glycine 0 N--CA 1.45 -0.39 0 CA-C-N 116.006 -0.543 . . . . 0.84 112.202 179.342 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.625 ' HB ' HG22 ' A' ' 62' ' ' THR . 2.7 p -53.53 144.68 4.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 N-CA-C 113.684 0.994 . . . . 1.3 113.684 179.224 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 37.8 m -117.09 127.89 54.59 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 114.568 -1.196 . . . . 0.45 108.905 176.074 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.498 ' HE2' ' SD ' ' A' ' 127' ' ' MET . 48.4 mttp -104.14 139.83 38.66 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.792 0.329 . . . . 0.79 110.83 -176.613 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.666 ' O ' ' HA ' ' A' ' 58' ' ' MET . 57.7 mtpt -125.34 106.71 10.04 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.145 -0.479 . . . . 1.96 111.292 -175.695 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.534 ' HZ ' ' CD1' ' A' ' 118' ' ' TYR . 56.6 m-85 -101.25 118.43 36.97 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.587 -0.523 . . . . 0.54 109.587 175.406 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 9.9 ptm180 -151.45 172.26 16.25 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 120.603 0.24 . . . . 3.17 111.229 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.472 ' HA ' ' CD2' ' A' ' 56' ' ' TYR . 33.1 m-80 -58.62 159.69 6.32 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.558 -0.746 . . . . 1.85 109.628 172.166 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.12 151.87 11.55 Favored 'General case' 0 CA--C 1.519 -0.219 0 N-CA-C 112.426 0.528 . . . . 0.87 112.426 -172.689 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -50.38 -60.46 2.97 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.711 -0.677 . . . . 1.48 110.984 -179.588 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 74.0 m -77.98 21.45 0.32 Allowed 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 112.965 0.728 . . . . 2.37 112.965 -178.166 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 62.04 37.53 94.59 Favored Glycine 0 CA--C 1.518 0.278 0 C-N-CA 121.115 -0.564 . . . . 1.91 113.815 176.59 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 5.8 mptp? -84.2 133.91 44.35 Favored Pre-proline 0 C--N 1.324 -0.531 0 N-CA-C 109.91 -0.404 . . . . 3.17 109.91 177.287 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.42 ' O ' ' HB2' ' A' ' 54' ' ' ASP . 67.5 Cg_endo -71.45 140.63 36.92 Favored 'Trans proline' 0 C--O 1.238 0.506 0 C-N-CA 122.605 2.203 . . . . 1.84 112.559 -178.439 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.42 ' HB2' ' O ' ' A' ' 53' ' ' PRO . 21.6 m-20 76.09 -38.86 0.35 Allowed 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 123.882 0.873 . . . . 2.44 110.857 179.452 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.412 ' HG2' ' HB2' ' A' ' 73' ' ' ALA . 60.8 mtp85 -72.3 143.03 48.85 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.254 0.549 . . . . 4.1 110.766 170.691 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.75 ' CE1' ' HB2' ' A' ' 3' ' ' LEU . 78.3 m-85 -128.92 -177.64 4.29 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.95 -0.568 . . . . 0.97 110.937 -177.132 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.44 ' OD2' ' HA ' ' A' ' 70' ' ' LYS . 11.0 t70 -137.58 143.09 41.35 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.042 -0.725 . . . . 1.1 109.042 -177.848 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.666 ' HA ' ' O ' ' A' ' 44' ' ' LYS . 1.3 tmm? -144.88 124.27 13.08 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.93 0.395 . . . . 0.98 110.815 -177.737 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -116.06 152.89 32.7 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.182 0.515 . . . . 1.11 111.986 -179.464 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.497 ' HB2' ' OG1' ' A' ' 67' ' ' THR . 49.2 m-80 -126.25 91.64 3.41 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.273 -0.876 . . . . 1.17 109.222 174.205 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.487 ' O ' ' HA ' ' A' ' 41' ' ' VAL . 3.8 mm? -85.61 111.7 20.31 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 109.653 -0.499 . . . . 1.67 109.653 179.549 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.625 HG22 ' HB ' ' A' ' 41' ' ' VAL . 3.8 p -116.69 -167.6 1.32 Allowed 'General case' 0 N--CA 1.443 -0.781 0 N-CA-C 109.882 -0.414 . . . . 0.45 109.882 -175.407 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 80.6 p -97.08 -31.86 12.27 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-O 120.989 0.423 . . . . 0.54 110.947 -176.606 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.421 ' HG3' ' CG1' ' A' ' 35' ' ' VAL . 48.6 mmtm -112.95 2.84 15.97 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.08 -0.509 . . . . 2.24 110.877 -177.595 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.447 ' O ' ' HB3' ' A' ' 66' ' ' ASP . 5.4 mmtt -153.68 -153.31 0.46 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.157 -0.474 . . . . 1.82 110.438 -176.571 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.447 ' HB3' ' O ' ' A' ' 65' ' ' LYS . 5.6 p-10 160.58 126.3 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 114.754 -1.112 . . . . 2.12 108.416 -174.018 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.497 ' OG1' ' HB2' ' A' ' 60' ' ' ASN . 67.6 p -133.4 152.22 51.9 Favored 'General case' 0 C--N 1.314 -0.955 0 N-CA-C 109.74 -0.467 . . . . 0.56 109.74 178.676 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 9.6 t-160 -140.44 98.27 3.39 Favored 'General case' 0 C--N 1.317 -0.832 0 N-CA-C 109.859 -0.423 . . . . 1.95 109.859 -177.168 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 14.8 m-70 -73.74 83.51 1.62 Allowed 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 108.03 -1.1 . . . . 0.39 108.03 173.374 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.44 ' HA ' ' OD2' ' A' ' 57' ' ' ASP . 10.5 ptpt -82.38 109.95 17.09 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.605 -0.725 . . . . 2.3 112.451 -172.009 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 7.0 t70 63.69 75.27 0.39 Allowed 'General case' 0 C--O 1.238 0.47 0 CA-C-N 114.69 -1.141 . . . . 2.07 111.395 173.604 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' TRP . . . . . 0.428 ' HE1' ' HB2' ' A' ' 58' ' ' MET . 69.4 p-90 -118.91 158.32 25.94 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.61 -0.723 . . . . 0.43 110.275 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.528 ' O ' ' HB3' ' A' ' 76' ' ' GLU . . . -120.04 149.14 42.66 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 110.148 -0.316 . . . . 0.55 110.148 174.642 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.676 ' HG ' ' O ' ' A' ' 1' ' ' LYS . 0.0 OUTLIER -64.79 144.11 57.48 Favored 'General case' 0 C--N 1.32 -0.707 0 C-N-CA 119.918 -0.713 . . . . 1.71 109.534 168.73 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 79.91 1.85 87.85 Favored Glycine 0 C--N 1.314 -0.676 0 CA-C-N 115.335 -0.848 . . . . 0.59 111.841 -171.056 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.528 ' HB3' ' O ' ' A' ' 73' ' ' ALA . 8.7 tp10 -106.3 153.25 22.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.402 0.62 . . . . 2.37 110.933 -176.332 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -125.54 108.97 12.12 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 114.768 -1.105 . . . . 1.4 108.413 -179.547 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 47.9 p90 -119.01 156.31 29.86 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-O 120.857 0.36 . . . . 0.57 111.001 -173.803 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 -91.8 139.28 30.82 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.226 -0.657 . . . . 1.95 109.226 175.039 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 43.2 t0 -165.28 167.69 17.68 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.112 -0.699 . . . . 1.26 109.112 -175.5 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.451 ' HA ' ' HA ' ' A' ' 87' ' ' GLN . 39.6 tt0 -103.15 113.81 27.59 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.006 -0.738 . . . . 2.13 109.006 178.81 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -85.24 175.69 8.79 Favored 'General case' 0 C--N 1.311 -1.084 0 CA-C-N 114.954 -1.021 . . . . 0.95 111.882 -174.596 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.445 HD22 HG21 ' A' ' 62' ' ' THR . 68.1 mt -63.93 -17.7 63.5 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.774 -0.648 . . . . 1.34 110.999 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.552 ' HA ' H142 ' A' 1001 ' ' OLA . 2.6 p30 -74.33 7.9 2.55 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.371 -0.831 . . . . 1.55 112.312 -179.717 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.401 ' HB3' ' O ' ' A' ' 84' ' ' ASP . 48.2 t 75.83 -2.33 2.79 Favored 'General case' 0 N--CA 1.467 0.407 0 N-CA-C 112.539 0.57 . . . . 1.21 112.539 172.92 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 13.6 p -119.56 165.52 14.32 Favored 'General case' 0 C--N 1.321 -0.63 0 O-C-N 121.959 -0.463 . . . . 0.93 110.272 175.448 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.451 ' HA ' ' HA ' ' A' ' 81' ' ' GLU . 7.3 pt20 -115.89 132.21 56.71 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.48 0.657 . . . . 1.88 110.171 -179.842 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' HIS . . . . . 0.629 ' HB2' ' O ' ' A' ' 105' ' ' ILE . 9.2 p80 -154.53 -174.69 5.07 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 114.748 -1.114 . . . . 1.04 109.723 -171.76 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.554 ' CG ' ' HB ' ' A' ' 105' ' ' ILE . 17.7 ptpt -80.29 147.91 30.96 Favored 'General case' 0 N--CA 1.448 -0.55 0 C-N-CA 120.404 -0.518 . . . . 1.49 109.73 179.497 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 71.4 mt -140.59 132.86 31.51 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.969 0 CA-C-N 115.455 -0.793 . . . . 0.54 109.739 178.291 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 52.6 m -116.59 129.81 56.38 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-O 121.134 0.493 . . . . 0.43 111.312 -179.69 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.422 ' CE1' ' HG3' ' A' ' 102' ' ' GLU . 8.4 m-85 -109.05 134.85 51.13 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 108.041 -1.096 . . . . 0.6 108.041 174.348 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -154.53 139.4 17.19 Favored 'General case' 0 C--N 1.315 -0.912 0 C-N-CA 120.613 -0.435 . . . . 1.69 110.518 -178.229 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.417 HD22 ' HG ' ' A' ' 100' ' ' LEU . 1.4 mm? -80.39 109.21 14.67 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 109.107 -0.701 . . . . 1.12 109.107 175.909 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 83.0 tttt -85.44 -55.23 4.11 Favored 'General case' 0 C--N 1.317 -0.821 0 N-CA-C 108.592 -0.892 . . . . 3.03 108.592 -173.787 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 43.7 m-20 -133.99 164.06 46.68 Favored Pre-proline 0 C--N 1.318 -0.782 0 N-CA-C 107.797 -1.186 . . . . 1.79 107.797 174.192 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_exo -67.18 4.89 1.01 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.829 2.353 . . . . 0.98 112.511 -178.278 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 5.0 p-10 -136.18 14.35 3.28 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.969 -0.56 . . . . 2.32 110.441 177.319 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 85.9 m -152.13 112.57 4.11 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-O 121.471 0.653 . . . . 0.56 112.268 -178.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.475 HD12 HD21 ' A' ' 3' ' ' LEU . 0.8 OUTLIER -93.95 139.31 31.07 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.903 -1.147 . . . . 1.1 107.903 173.327 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.497 HG22 ' HG2' ' A' ' 117' ' ' GLU . 17.3 p -112.95 133.86 54.72 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 119.255 0.934 . . . . 0.41 111.817 -178.848 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.427 ' CD ' ' HE2' ' A' ' 104' ' ' HIS . 30.5 tt0 -120.22 109.04 14.94 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.69 -0.686 . . . . 1.31 109.694 174.752 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 91.0 m -107.4 123.51 48.48 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.235 0.541 . . . . 0.51 110.932 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' HIS . . . . . 0.542 ' HB3' ' CE1' ' A' ' 88' ' ' HIS . 3.8 m170 -96.89 122.66 40.1 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.477 -0.783 . . . . 1.69 108.94 177.271 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.629 ' O ' ' HB2' ' A' ' 88' ' ' HIS . 47.0 mt -122.96 119.37 57.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 120.905 0.383 . . . . 0.75 110.217 174.005 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.511 ' HA ' ' CB ' ' A' ' 88' ' ' HIS . 55.7 mtpt -64.36 118.13 8.25 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.744 -0.662 . . . . 1.61 111.408 179.214 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.53 HG22 ' HA ' ' A' ' 88' ' ' HIS . 6.8 m -63.7 -18.34 22.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.466 -0.788 . . . . 1.32 111.424 176.568 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -90.25 -41.8 11.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.117 -0.492 . . . . 2.5 110.619 177.701 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.504 ' O ' ' HB2' ' A' ' 106' ' ' LYS . 5.8 m-20 -138.49 88.94 14.1 Favored Pre-proline 0 C--N 1.326 -0.454 0 CA-C-N 116.166 -0.47 . . . . 2.39 110.547 176.922 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -70.62 3.5 3.14 Favored 'Trans proline' 0 C--O 1.234 0.3 0 C-N-CA 123.29 2.66 . . . . 0.9 112.883 -178.403 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 34.3 p -80.28 -28.31 38.38 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-O 121.246 0.546 . . . . 1.47 109.556 173.477 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -92.33 114.95 27.63 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.549 -0.75 . . . . 1.59 109.132 174.725 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.604 HG12 HG12 ' A' ' 105' ' ' ILE . 2.8 m -123.37 178.32 3.42 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.02 0 CA-C-N 115.909 -0.587 . . . . 1.6 109.821 -177.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -170.68 119.25 0.53 Allowed 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 109.834 -0.432 . . . . 2.78 109.834 -178.603 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 89.4 m -123.57 123.94 41.7 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.399 0.618 . . . . 0.53 111.939 -174.664 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' TYR . . . . . 0.44 ' HA ' ' O ' ' A' ' 128' ' ' LYS . 2.5 m-30 -99.17 156.93 16.71 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 107.201 -1.407 . . . . 0.96 107.201 171.395 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 117' ' ' GLU . . . . . 0.497 ' HG2' HG22 ' A' ' 101' ' ' THR . 36.7 mt-10 -133.21 122.48 24.03 Favored 'General case' 0 N--CA 1.444 -0.754 0 N-CA-C 107.146 -1.427 . . . . 1.27 107.146 172.811 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 118' ' ' TYR . . . . . 0.534 ' CD1' ' HZ ' ' A' ' 45' ' ' PHE . 73.9 m-85 -88.12 104.61 16.85 Favored 'General case' 0 C--N 1.316 -0.866 0 N-CA-C 109.283 -0.636 . . . . 0.6 109.283 -179.716 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 119' ' ' ARG . . . . . 0.411 ' NH1' ' HD3' ' A' ' 128' ' ' LYS . 17.2 ptt180 -115.8 149.88 37.83 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.835 -0.432 . . . . 3.41 109.835 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 120' ' ' ARG . . . . . 0.545 ' NH2' ' HA ' ' A' ' 123' ' ' ASP . 10.0 mmm180 -100.54 136.01 41.08 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.94 0.4 . . . . 1.96 111.464 -178.623 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -133.46 89.09 2.55 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.764 -0.653 . . . . 1.08 109.36 174.611 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 77.25 -109.69 2.85 Favored Glycine 0 N--CA 1.446 -0.645 0 CA-C-N 115.698 -0.683 . . . . 0.92 111.395 -176.751 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' ASP . . . . . 0.545 ' HA ' ' NH2' ' A' ' 120' ' ' ARG . 15.8 m-20 -109.84 10.37 24.52 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.091 0.472 . . . . 2.31 110.574 177.704 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -108.18 139.48 42.8 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.036 -0.529 . . . . 0.67 111.47 -175.259 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.454 ' O ' ' HB2' ' A' ' 140' ' ' TYR . 3.2 tm? -92.72 118.84 31.49 Favored 'General case' 0 N--CA 1.447 -0.606 0 N-CA-C 107.24 -1.392 . . . . 1.03 107.24 172.209 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 44.0 t -108.6 122.78 63.67 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.928 0 C-N-CA 120.327 -0.549 . . . . 0.47 110.671 -170.576 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 127' ' ' MET . . . . . 0.498 ' SD ' ' HE2' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -79.15 123.99 27.9 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.329 -0.851 . . . . 1.08 110.119 178.636 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 128' ' ' LYS . . . . . 0.552 ' HE2' ' OG ' ' A' ' 130' ' ' SER . 18.5 tptm -113.36 111.43 21.97 Favored 'General case' 0 C--N 1.317 -0.811 0 N-CA-C 109.347 -0.612 . . . . 2.2 109.347 177.498 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 129' ' ' MET . . . . . 0.493 ' HB2' ' CG2' ' A' ' 136' ' ' THR . 59.1 mtp -128.56 129.03 45.39 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.508 -0.553 . . . . 1.11 109.508 -179.821 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 130' ' ' SER . . . . . 0.552 ' OG ' ' HE2' ' A' ' 128' ' ' LYS . 2.3 m -132.29 134.95 45.86 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.176 0.512 . . . . 1.06 111.005 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 131' ' ' TRP . . . . . . . . . . . . . 42.6 t-105 -148.91 129.46 13.98 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.269 -0.878 . . . . 0.76 109.687 176.575 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 68.5 mttm 54.37 38.61 29.84 Favored 'General case' 0 C--N 1.327 -0.389 0 O-C-N 123.664 0.603 . . . . 1.96 111.207 -178.339 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 82.88 -10.49 57.21 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.998 -0.62 . . . . 0.53 113.096 179.418 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 134' ' ' VAL . . . . . 0.508 ' O ' ' HA ' ' A' ' 130' ' ' SER . 8.2 t -86.86 108.34 17.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.753 0.277 . . . . 0.43 110.416 -178.915 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -102.36 126.71 49.46 Favored 'General case' 0 N--CA 1.445 -0.681 0 CA-C-O 121.506 0.67 . . . . 1.14 111.362 177.419 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 136' ' ' THR . . . . . 0.493 ' CG2' ' HB2' ' A' ' 129' ' ' MET . 5.1 t -114.38 135.73 53.77 Favored 'General case' 0 C--N 1.312 -1.03 0 CA-C-N 115.155 -0.929 . . . . 0.4 109.792 178.747 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 137' ' ' SER . . . . . 0.462 ' HA ' ' O ' ' A' ' 127' ' ' MET . 14.8 m -115.08 108.59 16.86 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.102 -0.499 . . . . 0.79 110.011 178.048 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 138' ' ' ARG . . . . . 0.481 ' HD3' ' O2 ' ' A' 1001 ' ' OLA . 44.9 mtp180 -99.14 128.46 45.28 Favored 'General case' 0 C--N 1.319 -0.717 0 N-CA-C 109.244 -0.65 . . . . 1.84 109.244 178.456 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 91.1 m-85 -97.25 113.22 24.8 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 121.079 0.466 . . . . 0.64 111.301 -170.722 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 140' ' ' TYR . . . . . 0.454 ' HB2' ' O ' ' A' ' 125' ' ' LEU . 24.1 m-85 -104.71 135.1 46.72 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.52 -0.764 . . . . 0.6 109.585 177.166 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 141' ' ' LYS . . . . . 0.407 ' O ' ' N ' ' A' ' 12' ' ' LYS . 12.5 ptpt -109.11 169.2 8.84 Favored 'General case' 0 C--N 1.312 -1.038 0 N-CA-C 107.625 -1.25 . . . . 1.92 107.625 171.546 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 142' ' ' LYS . . . . . 0.489 ' O ' ' HG2' ' A' ' 12' ' ' LYS . 61.7 tttm -53.14 164.0 0.48 Allowed 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 118.599 0.636 . . . . 2.13 111.421 171.912 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 143' ' ' GLN . . . . . 0.568 ' CD ' ' HB3' ' A' ' 12' ' ' LYS . 16.9 mm-40 . . . . . 0 C--O 1.249 1.054 0 O-C-N 121.349 -0.844 . . . . 1.46 109.375 159.593 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1001 ' ' OLA . . . . . 0.611 ' H9 ' ' HA ' ' A' ' 36' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' -11' ' ' MET . . . . . 0.445 ' HG3' ' HG3' ' A' ' -10' ' ' ARG . 26.1 ptt? . . . . . 0 N--CA 1.483 1.185 0 CA-C-O 120.764 0.316 . . . . 14.47 111.111 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' -10' ' ' ARG . . . . . 0.445 ' HG3' ' HG3' ' A' ' -11' ' ' MET . 99.7 mtt180 -118.13 164.84 14.55 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.986 -0.376 . . . . 15.82 109.986 179.019 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' -9' ' ' GLY . . . . . . . . . . . . . . . 139.12 -156.28 24.35 Favored Glycine 0 N--CA 1.446 -0.677 0 C-N-CA 120.649 -0.786 . . . . 11.88 112.091 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' -8' ' ' SER . . . . . . . . . . . . . 14.3 m -91.96 71.02 5.55 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.076 0.465 . . . . 11.68 110.751 -178.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' -7' ' ' HIS . . . . . . . . . . . . . 41.2 p-80 -158.21 138.05 12.16 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.433 -0.58 . . . . 11.79 109.433 176.009 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' -6' ' ' HIS . . . . . . . . . . . . . 10.6 t-80 -79.4 138.58 37.69 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.007 -0.542 . . . . 10.98 111.301 -171.424 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' -5' ' ' HIS . . . . . . . . . . . . . 54.9 m80 -103.28 -169.85 1.71 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.815 -0.63 . . . . 9.31 109.876 177.55 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' -4' ' ' HIS . . . . . . . . . . . . . 42.1 m80 70.73 -73.53 0.1 Allowed 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 123.263 0.625 . . . . 10.54 110.709 179.52 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' -3' ' ' HIS . . . . . . . . . . . . . 47.0 t60 -89.78 70.19 7.66 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 108.772 -0.825 . . . . 8.73 108.772 175.641 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 59.4 t60 -160.19 108.77 1.7 Allowed 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.964 -0.562 . . . . 7.06 110.636 -174.877 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -96.4 -89.62 1.82 Allowed Glycine 0 N--CA 1.445 -0.707 0 C-N-CA 120.903 -0.665 . . . . 3.5 111.471 177.796 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 16.2 m -108.67 151.84 25.62 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 110.141 -0.318 . . . . 3.11 110.141 179.059 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.55 ' O ' HD21 ' A' ' 74' ' ' LEU . 52.7 mtpt -83.73 111.07 18.83 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 108.885 -0.783 . . . . 2.99 108.885 174.684 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.0 m -72.34 129.35 38.19 Favored 'General case' 0 C--N 1.317 -0.821 0 C-N-CA 120.777 -0.369 . . . . 0.99 110.335 -176.603 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.632 ' HB2' ' CE1' ' A' ' 56' ' ' TYR . 0.5 OUTLIER -65.23 121.39 74.22 Favored Pre-proline 0 C--N 1.323 -0.551 0 CA-C-N 115.759 -0.655 . . . . 0.59 110.173 179.675 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.433 ' HD2' HD23 ' A' ' 3' ' ' LEU . 25.4 Cg_exo -61.12 136.88 67.77 Favored 'Trans proline' 0 N--CA 1.46 -0.471 0 C-N-CA 122.58 2.187 . . . . 0.61 111.068 174.22 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.67 ' HA ' HD12 ' A' ' 8' ' ' LEU . 4.7 m-20 -58.42 -21.46 50.9 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 115.88 -0.6 . . . . 2.19 111.022 -178.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 48.4 tttm -55.12 -33.84 63.2 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 115.542 -0.754 . . . . 2.53 112.164 175.155 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 70.6 m-85 -90.19 -2.04 58.01 Favored 'General case' 0 C--N 1.331 -0.199 0 O-C-N 121.934 -0.479 . . . . 0.6 110.905 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.67 HD12 ' HA ' ' A' ' 5' ' ' ASP . 90.4 mt -98.32 166.14 11.53 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.477 0.656 . . . . 0.46 111.773 -172.512 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 117.79 -162.73 12.95 Favored Glycine 0 N--CA 1.446 -0.689 0 CA-C-N 114.943 -1.026 . . . . 0.52 111.263 179.184 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.557 ' O ' ' HA ' ' A' ' 142' ' ' LYS . 14.9 t -130.17 140.24 50.78 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-O 121.115 0.484 . . . . 1.05 110.115 174.923 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.488 ' HA ' ' HA ' ' A' ' 142' ' ' LYS . 51.3 m-85 -131.08 132.43 44.87 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 115.724 -0.671 . . . . 0.47 111.229 -176.35 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.466 ' HB3' ' NE2' ' A' ' 143' ' ' GLN . 2.9 ptpp? -91.04 137.01 32.69 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 120.453 -0.499 . . . . 2.19 110.018 170.638 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.55 HD11 ' NH2' ' A' ' 138' ' ' ARG . 5.1 tt -54.5 119.72 5.64 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.696 -0.684 . . . . 1.14 110.675 175.126 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -90.81 -55.24 3.64 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.829 -0.434 . . . . 2.08 109.829 174.837 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 6.5 ptm180 -164.9 -171.47 2.27 Favored 'General case' 0 CA--C 1.529 0.157 0 CA-C-N 116.387 -0.369 . . . . 3.36 110.691 -177.899 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -159.52 170.83 20.84 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.203 -0.453 . . . . 1.19 110.427 177.266 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -139.56 127.72 22.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.392 -0.367 . . . . 2.66 110.413 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 64.7 t30 70.9 23.07 4.45 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-O 122.043 0.925 . . . . 0.76 110.994 176.244 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.4 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 28.9 t80 -72.09 -42.02 66.65 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.175 -0.92 . . . . 0.49 111.154 -174.258 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.563 ' OD1' ' HE2' ' A' ' 24' ' ' LYS . 21.3 t70 -53.12 -53.81 44.91 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 116.4 -0.363 . . . . 2.04 111.463 177.862 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -59.29 -36.47 75.64 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-N 116.111 -0.495 . . . . 1.79 111.549 -179.602 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 84.0 t80 -60.79 -38.4 85.17 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-O 120.804 0.335 . . . . 0.57 110.898 175.86 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.4 ' HG ' ' O ' ' A' ' 19' ' ' PHE . 84.5 mt -66.64 -36.88 83.63 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.784 0.326 . . . . 0.37 110.399 -179.085 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.563 ' HE2' ' OD1' ' A' ' 20' ' ' ASP . 68.0 mttm -63.13 -43.51 98.19 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.371 0.605 . . . . 1.88 109.633 176.46 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.71 -44.72 96.24 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 114.982 -1.008 . . . . 0.44 111.32 179.03 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 15.6 mmm180 -70.61 -10.39 59.19 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.325 -0.398 . . . . 1.29 111.838 -178.172 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 91.92 24.13 25.97 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.57 -0.824 . . . . 0.62 112.573 177.412 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 62.9 m-85 -89.68 122.21 32.58 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.798 -0.445 . . . . 0.64 109.798 177.082 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.478 ' O ' ' HG3' ' A' ' 33' ' ' ARG . . . -75.0 -175.75 36.51 Favored Glycine 0 N--CA 1.443 -0.861 0 CA-C-N 115.375 -0.83 . . . . 1.54 112.699 -176.483 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.461 ' O ' ' HG2' ' A' ' 34' ' ' GLN . 90.4 t90 -53.88 -51.61 63.1 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 122.478 0.311 . . . . 1.18 111.391 -175.234 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.432 HD13 ' HA ' ' A' ' 31' ' ' ILE . 1.0 OUTLIER -55.47 -53.16 39.12 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.139 0 CA-C-N 116.406 -0.361 . . . . 2.16 111.859 -179.41 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.611 ' O ' HG13 ' A' ' 36' ' ' ILE . 52.2 mmm -56.99 -43.94 82.24 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.324 -0.398 . . . . 0.97 111.354 179.85 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.478 ' HG3' ' O ' ' A' ' 29' ' ' GLY . 71.9 mtm-85 -62.36 -30.78 71.43 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 120.941 -0.304 . . . . 1.87 110.928 -179.322 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.57 ' O ' HD23 ' A' ' 38' ' ' LEU . 10.3 mm100 -72.58 -26.33 61.67 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.934 0.397 . . . . 1.97 110.403 178.45 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.46 HG13 ' HG3' ' A' ' 64' ' ' LYS . 83.6 t -83.92 -63.76 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 116.173 -0.467 . . . . 0.68 110.717 176.623 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.611 HG13 ' O ' ' A' ' 32' ' ' MET . 33.1 mt -48.91 -41.03 12.89 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.394 0 C-N-CA 123.976 0.91 . . . . 0.51 113.417 -176.519 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 56.5 mtmt -74.5 -24.24 58.97 Favored 'General case' 0 N--CA 1.466 0.342 0 O-C-N 122.058 -0.401 . . . . 0.97 112.055 -176.856 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.57 HD23 ' O ' ' A' ' 34' ' ' GLN . 3.9 mm? -103.84 3.3 33.71 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.79 0.328 . . . . 2.08 111.33 -174.022 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -89.83 120.1 30.78 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 120.898 0.38 . . . . 1.03 110.739 -179.713 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.449 ' O ' ' HA ' ' A' ' 62' ' ' THR . . . -72.93 143.55 33.63 Favored Glycine 0 N--CA 1.445 -0.753 0 N-CA-C 110.852 -0.899 . . . . 0.84 110.852 174.681 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.405 HG22 HG22 ' A' ' 62' ' ' THR . 45.9 t -127.86 133.49 67.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-O 121.109 0.48 . . . . 1.3 111.272 -173.747 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 99.5 m -114.17 115.76 28.0 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.598 -0.728 . . . . 0.45 110.54 174.58 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.434 ' O ' ' HA ' ' A' ' 10' ' ' THR . 74.8 mmtt -87.97 136.78 32.81 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.311 -0.626 . . . . 0.79 109.311 176.047 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.512 ' O ' ' HA ' ' A' ' 58' ' ' MET . 28.0 mtpp -137.42 103.48 5.08 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.741 0.305 . . . . 1.96 111.196 -179.639 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.481 ' HB3' HD23 ' A' ' 8' ' ' LEU . 79.5 m-85 -107.07 118.48 36.81 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.845 -0.616 . . . . 0.54 109.645 176.476 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.439 HH11 ' HD3' ' A' ' 46' ' ' ARG . 1.6 ptm180 -146.4 167.74 22.86 Favored 'General case' 0 C--N 1.32 -0.696 0 C-N-CA 121.015 -0.274 . . . . 3.17 111.225 -179.457 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 48.6 m-80 -54.26 147.15 13.81 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.691 -0.686 . . . . 1.85 109.373 172.498 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.478 ' O ' ' N ' ' A' ' 50' ' ' SER . . . -62.93 105.22 0.64 Allowed 'General case' 0 CA--C 1.51 -0.569 0 N-CA-C 112.809 0.67 . . . . 0.87 112.809 -170.808 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 55.32 -72.35 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.553 0 O-C-N 124.927 1.392 . . . . 1.48 113.85 167.736 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.478 ' N ' ' O ' ' A' ' 48' ' ' ALA . 42.4 m -80.93 -24.85 37.9 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.909 -0.587 . . . . 2.37 110.234 -176.536 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 115.04 33.35 1.67 Allowed Glycine 0 N--CA 1.447 -0.598 0 CA-C-N 115.55 -0.75 . . . . 1.91 111.34 -178.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -89.28 143.89 31.58 Favored Pre-proline 0 N--CA 1.444 -0.765 0 CA-C-N 115.33 -0.435 . . . . 3.17 110.218 -175.622 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.442 ' C ' ' H ' ' A' ' 55' ' ' ARG . 98.5 Cg_endo -88.34 167.17 6.49 Favored 'Trans proline' 0 N--CA 1.457 -0.628 0 C-N-CA 122.721 2.28 . . . . 1.84 112.492 178.199 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 36.5 m-20 69.91 -3.86 1.62 Allowed 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 123.402 0.681 . . . . 2.44 111.051 176.734 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.442 ' H ' ' C ' ' A' ' 53' ' ' PRO . 11.2 mtt180 -148.5 131.7 16.43 Favored 'General case' 0 N--CA 1.444 -0.73 0 N-CA-C 107.732 -1.21 . . . . 4.1 107.732 173.456 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.632 ' CE1' ' HB2' ' A' ' 3' ' ' LEU . 80.4 m-85 -129.56 175.5 8.74 Favored 'General case' 0 C--N 1.314 -0.976 0 CA-C-O 121.343 0.592 . . . . 0.97 111.945 -169.709 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.47 ' OD2' ' HA ' ' A' ' 70' ' ' LYS . 14.7 t70 -124.45 137.29 54.45 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 114.852 -1.067 . . . . 1.1 109.027 -177.427 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.512 ' HA ' ' O ' ' A' ' 44' ' ' LYS . 9.9 tpt -137.75 128.0 26.15 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.953 0.406 . . . . 0.98 110.597 -175.756 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.535 ' HG3' ' O ' ' A' ' 67' ' ' THR . 39.1 tt0 -131.92 143.43 50.12 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 116.164 -0.471 . . . . 1.11 111.139 -175.642 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.478 ' HB2' ' OG1' ' A' ' 67' ' ' THR . 37.3 m-80 -122.84 90.47 3.3 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 108.957 -0.757 . . . . 1.17 108.957 178.368 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 61.9 tp -88.97 123.48 33.34 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 109.5 -0.556 . . . . 1.67 109.5 179.623 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.449 ' HA ' ' O ' ' A' ' 40' ' ' GLY . 38.8 p -128.94 -173.0 2.86 Favored 'General case' 0 N--CA 1.442 -0.859 0 N-CA-C 109.742 -0.466 . . . . 0.45 109.742 -176.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 33.9 p -81.43 -24.69 36.72 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-O 121.206 0.527 . . . . 0.54 111.202 -177.794 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.46 ' HG3' HG13 ' A' ' 35' ' ' VAL . 30.9 mmmt -114.96 -24.13 8.76 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.937 -0.574 . . . . 2.24 111.901 -174.908 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.563 ' HE2' ' O ' ' A' ' 83' ' ' LEU . 29.8 mmmt -130.85 -156.62 0.77 Allowed 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.434 0.635 . . . . 1.82 112.607 -168.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.458 ' H ' ' HB3' ' A' ' 65' ' ' LYS . 13.3 t70 173.33 142.4 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 114.228 -1.351 . . . . 2.12 109.036 -171.318 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.535 ' O ' ' HG3' ' A' ' 59' ' ' GLU . 5.3 p -152.1 136.92 17.11 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 108.54 -0.911 . . . . 0.56 108.54 173.654 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 8.1 t-160 -131.63 84.3 2.16 Favored 'General case' 0 C--N 1.316 -0.89 0 C-N-CA 120.459 -0.496 . . . . 1.95 109.724 -176.897 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 17.2 m-70 -73.04 85.73 1.31 Allowed 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 108.701 -0.852 . . . . 0.39 108.701 177.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.47 ' HA ' ' OD2' ' A' ' 57' ' ' ASP . 14.6 ptpt -89.65 122.92 33.24 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 120.992 0.425 . . . . 2.3 112.12 -175.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.434 ' OD1' ' HD3' ' A' ' 55' ' ' ARG . 38.9 t70 65.75 75.05 0.36 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 114.933 -1.031 . . . . 2.07 111.209 173.591 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 65.3 p-90 -128.32 159.02 36.59 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.791 -0.641 . . . . 0.43 110.305 176.22 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.513 ' O ' ' HB3' ' A' ' 76' ' ' GLU . . . -127.97 155.37 44.37 Favored 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 109.835 -0.432 . . . . 0.55 109.835 171.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.645 HD13 ' H ' ' A' ' 74' ' ' LEU . 0.0 OUTLIER -63.76 147.02 52.78 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.313 0.577 . . . . 1.71 109.931 171.9 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 73.55 6.74 71.9 Favored Glycine 0 C--N 1.313 -0.709 0 CA-C-N 115.501 -0.772 . . . . 0.59 111.9 -171.64 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.513 ' HB3' ' O ' ' A' ' 73' ' ' ALA . 34.6 tt0 -114.54 150.58 34.72 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-O 121.112 0.482 . . . . 2.37 110.541 -178.529 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.402 ' CD ' ' HD2' ' A' ' 89' ' ' LYS . 29.0 tt0 -131.32 123.53 28.5 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.239 -0.892 . . . . 1.4 109.36 -172.846 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 45.1 p90 -133.94 161.88 33.59 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.934 0.397 . . . . 0.57 111.644 -174.508 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 57.3 tt0 -84.84 134.57 34.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.679 -0.691 . . . . 1.95 109.504 175.631 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -143.48 155.77 44.45 Favored 'General case' 0 C--O 1.242 0.68 0 CA-C-O 120.812 0.339 . . . . 1.26 111.266 -170.899 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.427 ' HG3' ' OE1' ' A' ' 87' ' ' GLN . 28.0 tt0 -93.36 89.17 6.25 Favored 'General case' 0 N--CA 1.447 -0.581 0 N-CA-C 107.81 -1.181 . . . . 2.13 107.81 175.309 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.88 166.88 12.54 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 114.364 -1.289 . . . . 0.95 114.127 -164.765 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.563 ' O ' ' HE2' ' A' ' 65' ' ' LYS . 13.2 tp -71.98 -28.37 63.37 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 113.383 -1.735 . . . . 1.34 110.43 -174.844 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.476 ' HA ' H141 ' A' 1001 ' ' OLA . 10.3 p-10 -83.04 26.84 0.59 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.74 -0.664 . . . . 1.55 111.794 178.103 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 69.6 m 62.25 33.45 16.65 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 115.763 -0.653 . . . . 1.21 112.183 171.413 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 23.3 p -131.54 174.11 10.43 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.184 -0.462 . . . . 0.93 110.462 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.427 ' OE1' ' HG3' ' A' ' 81' ' ' GLU . 9.8 mm100 -120.45 101.84 8.05 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 108.852 -0.796 . . . . 1.88 108.852 179.204 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' HIS . . . . . 0.59 ' HB2' ' O ' ' A' ' 105' ' ' ILE . 16.3 p80 -147.03 177.05 9.46 Favored 'General case' 0 C--N 1.319 -0.749 0 C-N-CA 120.386 -0.526 . . . . 1.04 111.163 -175.488 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.402 ' HD2' ' CD ' ' A' ' 77' ' ' GLU . 55.7 pttt -85.63 153.97 22.01 Favored 'General case' 0 N--CA 1.442 -0.857 0 CA-C-O 121.184 0.516 . . . . 1.49 110.364 -174.726 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 52.1 mt -140.23 137.56 37.39 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.944 0 CA-C-N 115.238 -0.892 . . . . 0.54 110.113 -179.361 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 9.8 m -123.78 141.2 52.25 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.121 -0.49 . . . . 0.43 110.602 -179.534 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 52.7 m-85 -112.7 149.47 32.87 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 108.527 -0.916 . . . . 0.6 108.527 173.112 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -155.44 130.62 9.5 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 120.794 0.331 . . . . 1.69 111.023 178.341 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -82.05 106.04 13.64 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 108.206 -1.035 . . . . 1.12 108.206 174.252 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 52.4 tttm -85.2 -57.65 3.0 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 109.265 -0.642 . . . . 3.03 109.265 -172.366 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 37.6 m-20 -129.59 164.59 38.88 Favored Pre-proline 0 C--N 1.319 -0.74 0 N-CA-C 107.92 -1.141 . . . . 1.79 107.92 177.715 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 21.2 Cg_exo -66.79 8.16 0.36 Allowed 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.938 2.425 . . . . 0.98 113.097 -176.519 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -145.68 25.5 1.32 Allowed 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.321 -0.622 . . . . 2.32 109.321 174.731 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 22.0 m -151.51 103.81 3.01 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 121.198 0.523 . . . . 0.56 112.081 -179.715 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.484 ' HB3' ' HB2' ' A' ' 118' ' ' TYR . 18.9 tp -94.28 151.67 19.26 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 108.207 -1.035 . . . . 1.1 108.207 169.38 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 13.9 p -129.87 139.93 51.09 Favored 'General case' 0 C--N 1.322 -0.629 0 O-C-N 121.502 -0.749 . . . . 0.41 111.573 179.495 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.4 ' HB2' ' HE2' ' A' ' 118' ' ' TYR . 54.2 tt0 -117.21 108.33 15.53 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.172 -0.677 . . . . 1.31 109.172 175.559 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 93.6 m -102.17 118.99 38.05 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.039 -0.528 . . . . 0.51 110.839 -176.142 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' HIS . . . . . 0.443 ' HB3' ' CE1' ' A' ' 88' ' ' HIS . 9.8 m170 -99.98 121.93 42.11 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.835 -0.62 . . . . 1.69 109.788 179.372 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.59 ' O ' ' HB2' ' A' ' 88' ' ' HIS . 57.1 mt -124.14 118.97 55.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 121.206 0.527 . . . . 0.75 111.456 175.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.544 ' HA ' ' CB ' ' A' ' 88' ' ' HIS . 60.9 mttp -62.2 113.42 2.86 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 114.903 -1.044 . . . . 1.61 111.125 176.451 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 16.1 m -59.28 -22.2 21.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.224 -0.898 . . . . 1.32 112.029 178.782 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -86.57 -34.47 19.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.872 0.368 . . . . 2.5 110.662 179.702 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.416 ' O ' ' HB2' ' A' ' 106' ' ' LYS . 27.1 t70 -148.65 93.43 4.29 Favored Pre-proline 0 C--N 1.327 -0.375 0 CA-C-O 121.601 0.715 . . . . 2.39 109.778 178.387 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -75.31 9.39 2.16 Favored 'Trans proline' 0 C--N 1.33 -0.411 0 C-N-CA 123.223 2.615 . . . . 0.9 113.724 -173.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 33.3 p -85.54 -24.66 27.19 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.299 -0.56 . . . . 1.47 110.017 177.761 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -90.22 58.28 4.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.481 0.658 . . . . 1.59 109.988 176.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 7.2 p -61.86 155.47 4.56 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.248 0 CA-C-N 115.282 -0.872 . . . . 1.6 109.683 172.281 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -152.17 125.41 8.7 Favored 'General case' 0 C--N 1.313 -1.0 0 N-CA-C 109.177 -0.675 . . . . 2.78 109.177 -179.21 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 24.6 m -130.59 132.41 45.51 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 121.283 0.563 . . . . 0.53 111.408 -173.823 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 3.8 m-30 -112.95 157.18 21.8 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 106.556 -1.646 . . . . 0.96 106.556 170.861 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' GLU . . . . . 0.475 ' O ' ' HA ' ' A' ' 127' ' ' MET . 32.5 mt-10 -125.19 138.2 54.13 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 108.485 -0.931 . . . . 1.27 108.485 179.241 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 118' ' ' TYR . . . . . 0.484 ' HB2' ' HB3' ' A' ' 100' ' ' LEU . 97.8 m-85 -103.52 86.31 2.62 Favored 'General case' 0 C--N 1.313 -1.018 0 CA-C-O 121.061 0.457 . . . . 0.6 109.862 177.706 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -113.08 138.97 49.13 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 108.539 -0.912 . . . . 3.41 108.539 177.128 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 120' ' ' ARG . . . . . 0.426 ' HG2' ' HA ' ' A' ' 125' ' ' LEU . 13.7 mtp180 -104.15 140.79 37.3 Favored 'General case' 0 C--N 1.314 -0.967 0 C-N-CA 119.687 -0.805 . . . . 1.96 111.772 -175.26 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -92.85 -15.34 26.56 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 114.937 -1.029 . . . . 1.08 110.056 -178.745 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 145.62 -80.71 0.22 Allowed Glycine 0 N--CA 1.445 -0.722 0 N-CA-C 110.759 -0.937 . . . . 0.92 110.759 -177.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 -92.91 -21.17 19.99 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.065 0.46 . . . . 2.31 109.868 176.057 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 124' ' ' TYR . . . . . 0.667 ' CE2' ' HB3' ' A' ' 141' ' ' LYS . 95.6 m-85 -111.21 139.43 46.61 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-N 115.912 -0.586 . . . . 0.67 110.854 -175.715 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.426 ' HA ' ' HG2' ' A' ' 120' ' ' ARG . 0.3 OUTLIER -84.21 127.45 33.95 Favored 'General case' 0 N--CA 1.439 -0.991 0 N-CA-C 106.896 -1.52 . . . . 1.03 106.896 170.075 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 38.9 t -110.09 108.92 26.62 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.05 0 N-CA-C 109.53 -0.544 . . . . 0.47 109.53 -176.183 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 127' ' ' MET . . . . . 0.475 ' HA ' ' O ' ' A' ' 117' ' ' GLU . 20.5 ttm -80.92 122.83 27.73 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 115.295 -0.866 . . . . 1.08 109.048 176.5 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 128' ' ' LYS . . . . . 0.465 ' HB3' ' HB2' ' A' ' 117' ' ' GLU . 41.0 tptt -109.66 112.47 24.56 Favored 'General case' 0 C--N 1.316 -0.872 0 N-CA-C 109.267 -0.642 . . . . 2.2 109.267 -175.719 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 129' ' ' MET . . . . . 0.512 ' HB2' ' CG2' ' A' ' 136' ' ' THR . 30.7 mtp -121.63 125.0 45.66 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 109.118 -0.697 . . . . 1.11 109.118 -176.732 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 3.6 p -135.9 129.95 33.05 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.08 0.467 . . . . 1.06 111.65 -177.038 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 131' ' ' TRP . . . . . 0.572 ' CD1' ' HG2' ' A' ' 132' ' ' LYS . 52.9 t-105 -153.36 136.94 15.96 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.622 -0.717 . . . . 0.76 110.226 179.635 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 132' ' ' LYS . . . . . 0.572 ' HG2' ' CD1' ' A' ' 131' ' ' TRP . 75.7 mmtt 52.09 38.85 25.24 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 115.913 -0.585 . . . . 1.96 111.603 -177.458 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 81.88 -11.6 46.77 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 121.027 -0.606 . . . . 0.53 112.994 178.679 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 39.2 t -89.71 109.33 20.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 120.821 0.343 . . . . 0.43 110.393 -178.285 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -103.92 129.01 51.41 Favored 'General case' 0 N--CA 1.445 -0.692 0 CA-C-O 121.286 0.565 . . . . 1.14 111.248 177.782 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 136' ' ' THR . . . . . 0.512 ' CG2' ' HB2' ' A' ' 129' ' ' MET . 6.9 t -119.21 141.79 48.59 Favored 'General case' 0 C--N 1.312 -1.024 0 CA-C-N 115.226 -0.897 . . . . 0.4 109.99 179.123 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 12.1 m -116.73 116.38 27.41 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.874 -0.603 . . . . 0.79 109.641 179.452 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 138' ' ' ARG . . . . . 0.55 ' NH2' HD11 ' A' ' 13' ' ' LEU . 29.5 mtp180 -103.47 133.05 49.17 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.728 -0.471 . . . . 1.84 109.728 179.231 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 86.6 m-85 -106.31 113.03 26.32 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.243 0.544 . . . . 0.64 110.858 -173.306 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 63.4 m-85 -110.42 132.51 54.12 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.284 -0.871 . . . . 0.6 110.699 179.646 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 141' ' ' LYS . . . . . 0.667 ' HB3' ' CE2' ' A' ' 124' ' ' TYR . 0.0 OUTLIER -118.87 160.63 21.57 Favored 'General case' 0 C--O 1.212 -0.908 0 N-CA-C 107.396 -1.335 . . . . 1.92 107.396 172.682 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 142' ' ' LYS . . . . . 0.576 ' O ' ' HD3' ' A' ' 141' ' ' LYS . 86.5 tttt -41.74 153.17 0.06 Allowed 'General case' 0 N--CA 1.477 0.906 0 CA-C-N 118.43 0.559 . . . . 2.13 112.378 -177.917 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 143' ' ' GLN . . . . . 0.478 ' HB2' HG23 ' A' ' 10' ' ' THR . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.026 0 O-C-N 120.598 -1.314 . . . . 1.46 111.029 168.819 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1001 ' ' OLA . . . . . 0.89 H182 ' H31' ' A' 1001 ' ' OLA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' -11' ' ' MET . . . . . . . . . . . . . 38.5 ttm . . . . . 0 N--CA 1.481 1.08 0 CA-C-O 120.562 0.22 . . . . 14.47 110.438 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' -10' ' ' ARG . . . . . . . . . . . . . 21.0 mmm180 -128.67 166.3 19.2 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.946 -0.39 . . . . 15.82 109.946 176.804 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' -9' ' ' GLY . . . . . . . . . . . . . . . 90.85 -108.91 3.62 Favored Glycine 0 N--CA 1.447 -0.619 0 C-N-CA 120.719 -0.753 . . . . 11.88 112.061 178.563 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' -8' ' ' SER . . . . . . . . . . . . . 21.2 m 61.99 -172.62 0.15 Allowed 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 122.551 0.341 . . . . 11.68 111.116 179.475 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' -7' ' ' HIS . . . . . . . . . . . . . 39.5 m-70 61.12 -158.75 0.33 Allowed 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 116.369 -0.378 . . . . 11.79 110.665 178.676 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' -6' ' ' HIS . . . . . . . . . . . . . 63.6 m80 72.46 -69.25 0.19 Allowed 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 123.017 0.527 . . . . 10.98 110.991 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' -5' ' ' HIS . . . . . . . . . . . . . 6.9 p80 -157.07 153.71 28.3 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 110.059 -0.349 . . . . 9.31 110.059 178.752 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' -4' ' ' HIS . . . . . . . . . . . . . 9.1 m80 62.67 89.41 0.09 Allowed 'General case' 0 N--CA 1.464 0.259 0 O-C-N 123.853 0.721 . . . . 10.54 110.396 -171.524 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' -3' ' ' HIS . . . . . . . . . . . . . 34.0 m-70 -70.04 83.39 0.51 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.707 -0.679 . . . . 8.73 111.134 -177.869 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 72.6 m-70 -118.37 101.04 7.87 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 116.188 -0.46 . . . . 7.06 110.426 176.211 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -69.72 -41.39 74.51 Favored Glycine 0 N--CA 1.448 -0.532 0 N-CA-C 110.691 -0.963 . . . . 3.5 110.691 174.623 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 0' ' ' SER . . . . . 0.592 ' OG ' ' HB1' ' A' ' 73' ' ' ALA . 1.5 m -96.55 109.27 21.89 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.433 -0.384 . . . . 3.11 110.161 176.174 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 61.5 tttp -58.22 126.71 28.68 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 108.649 -0.871 . . . . 2.99 108.649 169.14 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.8 m -65.12 131.23 45.99 Favored 'General case' 0 C--N 1.313 -0.992 0 CA-C-N 116.126 -0.488 . . . . 0.99 110.619 -171.015 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.527 ' HB2' ' CZ ' ' A' ' 56' ' ' TYR . 1.0 OUTLIER -62.36 121.38 66.36 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 115.577 -0.738 . . . . 0.59 111.146 -175.413 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.51 ' HD2' HD23 ' A' ' 3' ' ' LEU . 32.0 Cg_exo -56.82 124.35 16.04 Favored 'Trans proline' 0 N--CA 1.46 -0.483 0 C-N-CA 122.592 2.195 . . . . 0.61 110.727 172.329 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.501 ' HA ' HD12 ' A' ' 8' ' ' LEU . 6.5 m-20 -50.42 -25.82 4.33 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 115.968 -0.56 . . . . 2.19 112.309 -178.566 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.479 ' HB3' ' HG3' ' A' ' 120' ' ' ARG . 74.5 mmtt -58.21 -25.64 61.87 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 112.153 0.427 . . . . 2.53 112.153 178.321 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.444 ' HZ ' ' C ' ' A' ' 98' ' ' ASN . 26.1 m-85 -94.21 -2.47 52.43 Favored 'General case' 0 C--O 1.226 -0.159 0 O-C-N 122.165 -0.335 . . . . 0.6 111.277 -178.692 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.501 HD12 ' HA ' ' A' ' 5' ' ' ASP . 97.5 mt -95.6 151.49 19.29 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.197 0.522 . . . . 0.46 111.422 -171.89 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 116.98 -176.18 16.08 Favored Glycine 0 N--CA 1.445 -0.747 0 CA-C-N 115.184 -0.917 . . . . 0.52 110.958 -176.62 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.616 HG23 ' HB2' ' A' ' 143' ' ' GLN . 14.7 t -114.06 141.12 47.86 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-O 121.142 0.496 . . . . 1.05 110.068 178.412 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.572 ' HA ' ' HA ' ' A' ' 142' ' ' LYS . 63.2 m-85 -129.73 130.77 45.87 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 115.771 -0.65 . . . . 0.47 111.637 -175.428 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.544 ' HG3' ' O ' ' A' ' 142' ' ' LYS . 0.0 OUTLIER -93.79 134.04 36.56 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-O 121.192 0.52 . . . . 2.19 109.905 169.011 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -57.12 123.46 15.33 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.224 -0.443 . . . . 1.14 110.43 177.494 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -99.1 -45.55 5.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.472 -0.331 . . . . 2.08 110.86 179.254 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 12.0 ptm180 -153.27 178.27 9.95 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.988 0.423 . . . . 3.36 111.06 179.383 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -153.15 153.12 32.15 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.638 -0.71 . . . . 1.19 109.751 -179.348 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 48.0 mm-40 -132.4 118.62 19.59 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.486 -0.324 . . . . 2.66 110.71 -178.267 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 5.3 t30 66.32 31.55 8.33 Favored 'General case' 0 N--CA 1.468 0.475 0 CA-C-O 122.02 0.914 . . . . 0.76 110.524 175.706 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.452 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 36.3 t80 -77.39 -40.49 43.55 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 114.987 -1.006 . . . . 0.49 110.229 -177.465 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -55.15 -53.43 56.04 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.118 -0.492 . . . . 2.04 110.371 175.779 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 22.9 mp0 -51.91 -45.92 64.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.604 -0.726 . . . . 1.79 111.45 176.852 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 90.6 t80 -60.16 -37.65 80.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.506 -0.316 . . . . 0.57 111.392 179.025 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.452 ' HG ' ' O ' ' A' ' 19' ' ' PHE . 95.2 mt -63.77 -38.54 91.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.004 0.43 . . . . 0.37 110.083 -179.113 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.449 ' HG2' ' NH1' ' A' ' 33' ' ' ARG . 52.6 mtpt -66.2 -47.56 73.5 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.848 -0.615 . . . . 1.88 110.003 177.396 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -55.33 -44.99 76.39 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.412 -0.813 . . . . 0.44 111.37 178.792 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 11.1 mmm180 -71.83 -3.8 24.31 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.274 0.472 . . . . 1.29 112.274 -178.131 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 88.21 25.37 31.43 Favored Glycine 0 N--CA 1.444 -0.817 0 C-N-CA 120.485 -0.864 . . . . 0.62 112.581 176.37 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 67.9 m-85 -89.2 123.99 33.95 Favored 'General case' 0 N--CA 1.448 -0.529 0 N-CA-C 109.316 -0.624 . . . . 0.64 109.316 173.647 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -77.46 -175.31 42.96 Favored Glycine 0 N--CA 1.444 -0.776 0 C-N-CA 120.515 -0.85 . . . . 1.54 111.003 178.682 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.45 ' HE3' HD12 ' A' ' 31' ' ' ILE . 78.0 t90 -54.4 -41.65 69.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 117.07 0.435 . . . . 1.18 111.006 -178.859 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.489 HD12 ' N ' ' A' ' 31' ' ' ILE . 2.1 mp -57.6 -54.65 28.51 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.527 0 CA-C-O 120.981 0.42 . . . . 2.16 110.383 -174.296 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.493 ' CE ' H132 ' A' 1001 ' ' OLA . 0.0 OUTLIER -66.38 -44.87 81.92 Favored 'General case' 0 N--CA 1.437 -1.076 0 CA-C-N 115.605 -0.725 . . . . 0.97 110.578 179.192 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.449 ' NH1' ' HG2' ' A' ' 24' ' ' LYS . 32.3 ttp180 -58.82 -31.52 68.55 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.25 -0.432 . . . . 1.87 110.645 -178.192 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.527 ' O ' HD23 ' A' ' 38' ' ' LEU . 16.4 tm0? -72.17 -49.62 34.19 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.86 -0.609 . . . . 1.97 109.753 177.077 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 55.6 t -68.25 -53.47 28.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.09 -0.504 . . . . 0.68 111.235 -174.589 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.634 ' HA ' ' H9 ' ' A' 1001 ' ' OLA . 94.0 mt -46.7 -40.88 4.83 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 114.917 -1.038 . . . . 0.51 113.53 179.336 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 50.8 mtmt -80.63 -12.17 59.54 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 120.671 -0.412 . . . . 0.97 111.722 -178.205 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.527 HD23 ' O ' ' A' ' 34' ' ' GLN . 4.1 mm? -91.19 7.7 39.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.231 0.538 . . . . 2.08 110.372 174.764 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.585 ' HA ' ' OG1' ' A' ' 63' ' ' THR . . . -103.55 108.33 19.55 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.839 -0.619 . . . . 1.03 111.324 -179.309 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.632 ' O ' ' HA ' ' A' ' 62' ' ' THR . . . -70.88 134.23 23.45 Favored Glycine 0 N--CA 1.449 -0.433 0 N-CA-C 110.412 -1.075 . . . . 0.84 110.412 171.685 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 41.0 t -114.9 126.94 72.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-O 120.989 0.424 . . . . 1.3 111.8 -170.838 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 53.7 m -116.22 119.06 34.54 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.678 -0.692 . . . . 0.45 110.754 176.253 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.605 ' HZ1' ' C1 ' ' A' 1001 ' ' OLA . 74.5 mmtt -92.39 144.62 25.19 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.692 -0.485 . . . . 0.79 109.692 176.672 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.526 ' O ' ' HA ' ' A' ' 58' ' ' MET . 68.2 mttm -140.09 102.01 4.29 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.595 0.236 . . . . 1.96 110.814 178.889 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 89.0 m-85 -105.64 129.92 53.78 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.829 -0.434 . . . . 0.54 109.829 177.24 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 39.1 ptt180 -159.8 172.87 16.89 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 120.89 0.376 . . . . 3.17 110.931 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 50.1 m-80 -65.39 154.04 39.55 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 108.77 -0.826 . . . . 1.85 108.77 172.484 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.448 ' HA ' ' HB2' ' A' ' 57' ' ' ASP . . . -51.91 131.19 30.91 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-O 121.139 0.495 . . . . 0.87 111.277 -176.071 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.17 -29.96 70.35 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 114.922 -1.035 . . . . 1.48 111.133 -172.784 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 35.2 p -64.1 -4.34 3.45 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 112.832 0.678 . . . . 2.37 112.832 175.128 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 75.53 18.97 79.64 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.7 -0.762 . . . . 1.91 112.421 -176.872 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 50.6 mtpt -90.02 134.85 30.94 Favored Pre-proline 0 C--N 1.326 -0.437 0 CA-C-O 120.68 0.276 . . . . 3.17 110.583 179.787 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.401 ' O ' ' HB3' ' A' ' 54' ' ' ASP . 71.7 Cg_endo -75.65 152.3 37.66 Favored 'Trans proline' 0 C--O 1.236 0.41 0 C-N-CA 122.977 2.451 . . . . 1.84 112.283 -178.509 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.401 ' HB3' ' O ' ' A' ' 53' ' ' PRO . 35.1 t70 83.9 -53.13 0.14 Allowed 'General case' 0 N--CA 1.469 0.48 0 O-C-N 124.187 0.929 . . . . 2.44 109.374 176.101 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.426 ' HD3' ' OD1' ' A' ' 71' ' ' ASP . 69.6 mtt180 -61.68 149.17 40.32 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.026 -0.988 . . . . 4.1 111.93 172.35 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.527 ' CZ ' ' HB2' ' A' ' 3' ' ' LEU . 80.2 m-85 -125.63 174.34 8.34 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.657 -0.701 . . . . 0.97 110.13 174.818 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.448 ' HB2' ' HA ' ' A' ' 48' ' ' ALA . 30.0 t70 -132.17 135.86 46.66 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.441 -0.577 . . . . 1.1 109.441 -178.66 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.526 ' HA ' ' O ' ' A' ' 44' ' ' LYS . 10.9 tpt -138.79 132.31 30.42 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 120.584 0.231 . . . . 0.98 111.27 -174.025 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.414 ' HG3' ' O ' ' A' ' 67' ' ' THR . 44.0 tt0 -130.72 145.63 51.99 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.048 0.451 . . . . 1.11 111.613 -179.109 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.489 ' HB2' ' OG1' ' A' ' 67' ' ' THR . 27.7 m-80 -126.45 106.1 9.23 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 115.661 -0.699 . . . . 1.17 109.265 176.423 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 92.1 mt -100.99 136.13 41.32 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.514 -0.312 . . . . 1.67 110.368 178.149 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.632 ' HA ' ' O ' ' A' ' 40' ' ' GLY . 48.2 p -137.74 -173.31 3.46 Favored 'General case' 0 N--CA 1.447 -0.591 0 N-CA-C 108.886 -0.783 . . . . 0.45 108.886 178.783 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.585 ' OG1' ' HA ' ' A' ' 39' ' ' ALA . 52.7 p -93.23 -7.94 43.7 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.057 0.456 . . . . 0.54 111.139 -179.004 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 47.7 mmtm -124.63 -12.45 7.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.299 -0.409 . . . . 2.24 111.968 -177.258 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.44 ' HB3' ' H ' ' A' ' 66' ' ' ASP . 0.0 OUTLIER -140.76 -156.15 0.65 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.917 0.389 . . . . 1.82 111.354 -176.867 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.44 ' H ' ' HB3' ' A' ' 65' ' ' LYS . 5.8 p-10 168.07 114.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 114.91 -1.041 . . . . 2.12 109.626 -172.124 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.489 ' OG1' ' HB2' ' A' ' 60' ' ' ASN . 51.7 p -135.21 143.76 46.57 Favored 'General case' 0 C--N 1.315 -0.912 0 N-CA-C 109.724 -0.473 . . . . 0.56 109.724 -177.908 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.409 ' CD2' ' HE2' ' A' ' 70' ' ' LYS . 3.4 t60 -146.77 100.43 3.32 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.375 0.607 . . . . 1.95 111.014 -177.299 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 25.4 m-70 -79.98 88.82 5.33 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.66 -0.7 . . . . 0.39 109.55 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.409 ' HE2' ' CD2' ' A' ' 68' ' ' HIS . 0.0 OUTLIER -76.5 123.87 26.7 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 112.043 0.386 . . . . 2.3 112.043 179.073 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.426 ' OD1' ' HD3' ' A' ' 55' ' ' ARG . 0.7 OUTLIER 66.33 64.77 0.5 Allowed 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 115.411 -0.813 . . . . 2.07 112.213 170.781 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 68.5 p-90 -109.91 147.13 33.98 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 110.072 -0.344 . . . . 0.43 110.072 176.548 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.592 ' HB1' ' OG ' ' A' ' 0' ' ' SER . . . -118.39 147.68 43.29 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.602 0.239 . . . . 0.55 110.772 178.336 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.453 HD21 ' HG ' ' A' ' 3' ' ' LEU . 3.0 mm? -55.42 128.29 33.62 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.092 0.472 . . . . 1.71 111.202 172.519 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 83.68 13.12 76.33 Favored Glycine 0 N--CA 1.445 -0.759 0 CA-C-N 115.409 -0.814 . . . . 0.59 112.289 -178.793 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -105.84 151.26 24.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.292 0.567 . . . . 2.37 111.185 -178.598 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -127.16 116.29 20.42 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.14 -0.936 . . . . 1.4 109.309 -178.439 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 44.0 p90 -136.4 159.44 41.76 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 116.356 -0.384 . . . . 0.57 110.186 -175.063 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 24.6 tt0 -95.75 136.15 36.54 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.132 -0.692 . . . . 1.95 109.132 177.289 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.457 ' O ' ' HA ' ' A' ' 87' ' ' GLN . 23.2 t70 -159.76 166.04 31.24 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 120.841 -0.344 . . . . 1.26 110.349 -175.1 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.505 ' CB ' ' HG2' ' A' ' 87' ' ' GLN . 33.3 tt0 -89.06 111.18 21.86 Favored 'General case' 0 CA--C 1.512 -0.513 0 N-CA-C 109.508 -0.553 . . . . 2.13 109.508 -178.903 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.488 ' HB2' HD11 ' A' ' 90' ' ' ILE . . . -94.54 176.45 6.28 Favored 'General case' 0 C--N 1.308 -1.196 0 CA-C-N 115.112 -0.949 . . . . 0.95 112.883 -176.483 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -55.68 -29.34 59.19 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.285 -0.416 . . . . 1.34 111.236 -178.47 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.423 ' HA ' H142 ' A' 1001 ' ' OLA . 14.3 p-10 -78.75 22.05 0.38 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.333 -0.394 . . . . 1.55 111.618 -177.442 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 15.8 m 76.15 -24.13 0.23 Allowed 'General case' 0 N--CA 1.466 0.367 0 N-CA-C 113.228 0.825 . . . . 1.21 113.228 166.663 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 22.9 p -95.61 169.22 10.18 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.145 0.498 . . . . 0.93 111.039 -179.461 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.505 ' HG2' ' CB ' ' A' ' 81' ' ' GLU . 59.8 mt-30 -113.86 119.03 35.9 Favored 'General case' 0 N--CA 1.44 -0.962 0 N-CA-C 108.456 -0.942 . . . . 1.88 108.456 177.365 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' HIS . . . . . 0.879 ' HA ' HG13 ' A' ' 107' ' ' VAL . 6.1 p80 -146.45 176.79 9.54 Favored 'General case' 0 C--N 1.309 -1.186 0 CA-C-N 115.835 -0.62 . . . . 1.04 111.59 -170.074 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.434 ' HB3' ' HB ' ' A' ' 105' ' ' ILE . 40.6 ttmt -61.86 131.5 49.98 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 114.974 -1.012 . . . . 1.49 110.305 178.69 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.488 HD11 ' HB2' ' A' ' 82' ' ' ALA . 71.3 mt -137.8 133.35 44.98 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.82 0 CA-C-N 115.917 -0.583 . . . . 0.54 110.223 178.903 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 46.2 m -118.24 129.11 55.29 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 116.312 -0.403 . . . . 0.43 110.596 176.652 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -105.72 123.05 47.31 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 108.417 -0.957 . . . . 0.6 108.417 173.242 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -154.24 147.61 24.96 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-O 120.626 0.251 . . . . 1.69 110.485 -171.541 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.414 ' CD2' ' HG ' ' A' ' 100' ' ' LEU . 1.2 mt -92.12 116.1 28.64 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.287 -0.634 . . . . 1.12 109.287 173.585 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 44.5 tttm -83.53 -44.8 14.27 Favored 'General case' 0 C--N 1.317 -0.808 0 N-CA-C 108.342 -0.984 . . . . 3.03 108.342 -178.814 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -126.23 163.76 38.04 Favored Pre-proline 0 C--N 1.319 -0.752 0 N-CA-C 107.31 -1.367 . . . . 1.79 107.31 173.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 16.3 Cg_exo -69.18 4.87 1.7 Allowed 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.871 2.381 . . . . 0.98 112.141 -177.847 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' ASN . . . . . 0.444 ' C ' ' HZ ' ' A' ' 7' ' ' PHE . 26.1 p-10 -145.96 27.39 1.18 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.594 -0.73 . . . . 2.32 110.243 -179.593 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 60.2 m -151.91 110.0 3.71 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.131 0.491 . . . . 0.56 111.139 178.248 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.414 ' HG ' ' CD2' ' A' ' 94' ' ' LEU . 0.8 OUTLIER -84.01 144.42 29.13 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.166 -1.05 . . . . 1.1 108.166 174.848 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 6.7 p -126.74 134.36 50.65 Favored 'General case' 0 C--N 1.319 -0.752 0 O-C-N 121.632 -0.668 . . . . 0.41 111.079 177.248 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -115.33 100.56 8.2 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.994 -0.743 . . . . 1.31 108.994 177.013 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 38.5 m -96.42 121.14 37.91 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.419 -0.355 . . . . 0.51 110.387 -175.84 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' HIS . . . . . 0.636 ' HB3' ' CE1' ' A' ' 88' ' ' HIS . 1.7 m80 -106.74 121.66 44.82 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.561 -0.29 . . . . 1.69 110.547 -178.063 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.593 ' O ' ' HB2' ' A' ' 88' ' ' HIS . 22.4 mt -116.27 112.32 39.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-O 121.061 0.457 . . . . 0.75 109.931 173.34 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.508 ' HA ' ' CB ' ' A' ' 88' ' ' HIS . 55.1 mttm -63.79 128.76 37.27 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.542 -0.754 . . . . 1.61 111.365 -178.221 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.879 HG13 ' HA ' ' A' ' 88' ' ' HIS . 29.3 m -58.1 -32.95 45.37 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.305 0 CA-C-N 114.418 -1.264 . . . . 1.32 111.189 179.644 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -84.2 -56.46 3.64 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.299 -0.864 . . . . 2.5 110.358 -178.88 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.449 ' O ' ' HB2' ' A' ' 106' ' ' LYS . 59.2 m-20 -118.72 92.08 43.61 Favored Pre-proline 0 CA--C 1.517 -0.324 0 CA-C-O 121.181 0.515 . . . . 2.39 110.996 178.888 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.405 ' HD2' ' HA ' ' A' ' 109' ' ' ASP . 57.4 Cg_endo -71.54 -5.69 17.58 Favored 'Trans proline' 0 N--CA 1.462 -0.37 0 C-N-CA 122.983 2.456 . . . . 0.9 111.207 175.303 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 25.7 p -79.63 -25.33 41.43 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-N 115.05 -0.977 . . . . 1.47 110.446 175.589 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' ASP . . . . . 0.48 ' OD1' ' HE3' ' A' ' 106' ' ' LYS . 34.6 t70 -106.29 58.88 0.65 Allowed 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.52 0.676 . . . . 1.59 110.247 -178.749 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.417 HG12 HG12 ' A' ' 105' ' ' ILE . 13.2 m -67.94 179.29 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.543 -0.753 . . . . 1.6 111.993 176.466 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 59.5 tt0 -171.39 141.2 1.52 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.65 -0.705 . . . . 2.78 109.348 177.179 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 87.5 m -137.25 133.91 35.6 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.248 0.546 . . . . 0.53 111.893 -176.412 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 6.2 m-30 -108.18 160.49 15.78 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 107.219 -1.401 . . . . 0.96 107.219 171.886 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' GLU . . . . . 0.588 ' O ' ' HA ' ' A' ' 127' ' ' MET . 11.4 pt-20 -141.63 138.42 32.54 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 118.997 0.817 . . . . 1.27 109.517 177.03 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 95.7 m-85 -108.69 108.51 19.39 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.106 -0.497 . . . . 0.6 110.915 -176.285 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 12.9 ptm180 -118.12 169.11 9.95 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.991 -0.374 . . . . 3.41 109.991 175.015 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' ARG . . . . . 0.479 ' HG3' ' HB3' ' A' ' 6' ' ' LYS . 6.5 mmm180 -117.96 106.97 13.49 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 120.934 0.397 . . . . 1.96 111.702 -179.113 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -114.64 97.45 6.29 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.002 -0.544 . . . . 1.08 109.778 179.213 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 80.68 -127.22 7.8 Favored Glycine 0 N--CA 1.445 -0.719 0 C-N-CA 120.901 -0.666 . . . . 0.92 111.807 -178.318 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 37.3 m-20 -102.49 14.23 32.49 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.798 0.332 . . . . 2.31 110.845 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' TYR . . . . . 0.499 ' CE2' ' HE3' ' A' ' 141' ' ' LYS . 71.4 m-85 -122.03 141.85 50.94 Favored 'General case' 0 CA--C 1.51 -0.585 0 CA-C-N 116.313 -0.403 . . . . 0.67 110.498 -176.926 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 28.8 tp -81.31 121.69 26.5 Favored 'General case' 0 N--CA 1.439 -1.014 0 N-CA-C 107.369 -1.345 . . . . 1.03 107.369 171.088 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 46.5 t -113.62 114.92 48.21 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.071 0 CA-C-O 121.54 0.686 . . . . 0.47 109.984 -172.731 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 127' ' ' MET . . . . . 0.588 ' HA ' ' O ' ' A' ' 117' ' ' GLU . 9.6 ttm -95.7 142.68 27.71 Favored 'General case' 0 C--N 1.309 -1.153 0 CA-C-N 114.785 -1.098 . . . . 1.08 109.682 178.226 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 128' ' ' LYS . . . . . 0.534 ' HB3' ' CG ' ' A' ' 117' ' ' GLU . 59.1 tttp -122.59 132.68 54.41 Favored 'General case' 0 C--N 1.312 -1.056 0 N-CA-C 108.853 -0.795 . . . . 2.2 108.853 175.75 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 129' ' ' MET . . . . . 0.448 ' HB2' ' CG2' ' A' ' 136' ' ' THR . 43.1 mtp -128.61 121.42 28.63 Favored 'General case' 0 C--N 1.317 -0.821 0 N-CA-C 107.815 -1.18 . . . . 1.11 107.815 179.016 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 1.6 m -132.95 137.1 46.47 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 120.389 -0.524 . . . . 1.06 111.713 -174.289 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 131' ' ' TRP . . . . . 0.473 ' CD1' ' HG3' ' A' ' 132' ' ' LYS . 61.6 t-105 -150.36 127.46 11.22 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.453 -0.794 . . . . 0.76 109.99 177.633 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 132' ' ' LYS . . . . . 0.473 ' HG3' ' CD1' ' A' ' 131' ' ' TRP . 56.8 mtmt 54.68 39.07 31.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.963 -0.562 . . . . 1.96 111.595 -176.47 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 82.72 -31.25 3.05 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.84 -0.695 . . . . 0.53 112.74 -178.62 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 61.1 t -68.98 123.02 21.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 N-CA-C 109.832 -0.432 . . . . 0.43 109.832 178.785 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 22.5 t -131.75 161.61 32.45 Favored 'General case' 0 N--CA 1.444 -0.755 0 CA-C-O 121.696 0.76 . . . . 1.14 111.438 -176.235 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 136' ' ' THR . . . . . 0.448 ' CG2' ' HB2' ' A' ' 129' ' ' MET . 4.3 t -138.42 139.88 39.09 Favored 'General case' 0 C--N 1.309 -1.159 0 CA-C-N 114.357 -1.292 . . . . 0.4 110.317 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 3.3 m -106.09 116.71 32.41 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.078 -0.51 . . . . 0.79 109.683 177.238 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 138' ' ' ARG . . . . . 0.542 ' HB2' ' HB3' ' A' ' 127' ' ' MET . 20.4 mmm180 -99.97 115.2 29.13 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 115.6 -0.727 . . . . 1.84 109.607 -178.128 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 92.6 m-85 -95.79 105.7 17.74 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.178 0.513 . . . . 0.64 110.854 -177.212 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 140' ' ' TYR . . . . . 0.401 ' OH ' ' O1 ' ' A' 1001 ' ' OLA . 76.3 m-85 -100.7 119.12 38.13 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 115.534 -0.757 . . . . 0.6 111.305 -178.459 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 141' ' ' LYS . . . . . 0.499 ' HE3' ' CE2' ' A' ' 124' ' ' TYR . 2.4 tppp? -95.62 147.84 23.16 Favored 'General case' 0 N--CA 1.432 -1.352 0 N-CA-C 107.007 -1.479 . . . . 1.92 107.007 176.652 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 142' ' ' LYS . . . . . 0.572 ' HA ' ' HA ' ' A' ' 11' ' ' PHE . 56.3 mtpt -48.71 163.59 0.08 Allowed 'General case' 0 N--CA 1.475 0.776 0 CA-C-N 119.467 1.03 . . . . 2.13 111.901 175.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 143' ' ' GLN . . . . . 0.616 ' HB2' HG23 ' A' ' 10' ' ' THR . 5.7 mm100 . . . . . 0 C--O 1.25 1.124 0 O-C-N 121.216 -0.927 . . . . 1.46 110.416 164.032 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1001 ' ' OLA . . . . . 0.634 ' H9 ' ' HA ' ' A' ' 36' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' -11' ' ' MET . . . . . . . . . . . . . 23.9 mmt . . . . . 0 N--CA 1.482 1.161 0 CA-C-O 120.794 0.331 . . . . 14.47 110.757 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' -10' ' ' ARG . . . . . . . . . . . . . 78.6 mtt180 -73.43 132.13 42.61 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.382 -0.372 . . . . 15.82 110.134 -179.447 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' -9' ' ' GLY . . . . . . . . . . . . . . . 103.19 -72.4 0.28 Allowed Glycine 0 N--CA 1.45 -0.409 0 N-CA-C 111.294 -0.722 . . . . 11.88 111.294 -175.432 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' -8' ' ' SER . . . . . . . . . . . . . 47.4 t 71.68 -51.82 0.69 Allowed 'General case' 0 N--CA 1.468 0.463 0 N-CA-C 113.285 0.846 . . . . 11.68 113.285 172.587 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' -7' ' ' HIS . . . . . . . . . . . . . 7.8 t-80 -59.56 -51.66 68.9 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 122.247 0.219 . . . . 11.79 111.318 -173.396 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' -6' ' ' HIS . . . . . . . . . . . . . 40.1 m80 52.27 68.12 0.87 Allowed 'General case' 0 N--CA 1.466 0.356 0 O-C-N 123.504 0.502 . . . . 10.98 111.45 178.707 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' -5' ' ' HIS . . . . . . . . . . . . . 30.0 t-80 -144.47 68.47 1.26 Allowed 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 121.23 0.538 . . . . 9.31 110.004 178.734 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' -4' ' ' HIS . . . . . . . . . . . . . 19.1 t60 -127.78 -14.87 5.03 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.848 -0.614 . . . . 10.54 110.747 -179.617 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' -3' ' ' HIS . . . . . . . . . . . . . 5.1 p-80 -144.25 33.51 1.2 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.225 0.536 . . . . 8.73 110.508 177.614 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 63.6 t60 -144.68 68.0 1.25 Allowed 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.812 -0.631 . . . . 7.06 109.595 179.412 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -110.14 -82.9 1.37 Allowed Glycine 0 N--CA 1.441 -0.981 0 C-N-CA 120.472 -0.87 . . . . 3.5 111.327 178.613 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 0' ' ' SER . . . . . 0.617 ' OG ' ' HB1' ' A' ' 73' ' ' ALA . 2.1 m -101.35 146.03 28.13 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-O 120.7 0.286 . . . . 3.11 110.268 -178.817 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.446 ' HB2' HD22 ' A' ' 74' ' ' LEU . 87.3 mttt -63.45 133.15 53.45 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 107.382 -1.34 . . . . 2.99 107.382 170.018 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -77.43 122.95 25.88 Favored 'General case' 0 C--N 1.315 -0.925 0 C-N-CA 119.909 -0.717 . . . . 0.99 110.165 -175.75 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.47 ' HB2' ' CE1' ' A' ' 56' ' ' TYR . 0.9 OUTLIER -57.06 122.34 52.71 Favored Pre-proline 0 C--N 1.325 -0.487 0 CA-C-N 115.857 -0.61 . . . . 0.59 110.856 -179.42 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.46 ' HD2' HD23 ' A' ' 3' ' ' LEU . 48.5 Cg_exo -56.02 127.04 24.41 Favored 'Trans proline' 0 N--CA 1.463 -0.323 0 C-N-CA 122.792 2.328 . . . . 0.61 111.035 173.04 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.469 ' HA ' HD12 ' A' ' 8' ' ' LEU . 5.5 p-10 -56.16 -23.97 38.28 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.188 -0.46 . . . . 2.19 112.206 -176.682 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 15.5 pttm -67.98 -11.46 58.9 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.352 0.501 . . . . 2.53 112.352 177.16 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.455 ' CE1' ' HG2' ' A' ' 120' ' ' ARG . 22.7 m-85 -95.49 -5.31 43.21 Favored 'General case' 0 CA--C 1.519 -0.228 0 O-C-N 121.839 -0.538 . . . . 0.6 110.481 175.62 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.531 HD23 ' HB3' ' A' ' 45' ' ' PHE . 78.4 mt -97.52 145.59 26.07 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.159 0.504 . . . . 0.46 111.036 -171.449 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 133.82 172.81 13.01 Favored Glycine 0 N--CA 1.449 -0.497 0 CA-C-N 115.255 -0.884 . . . . 0.52 111.59 -176.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.428 HG23 ' HB3' ' A' ' 44' ' ' LYS . 14.6 m -102.41 122.84 45.1 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.605 -0.517 . . . . 1.05 109.605 175.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.43 ' HA ' ' HA ' ' A' ' 142' ' ' LYS . 79.3 m-85 -116.76 134.64 54.55 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 112.234 0.457 . . . . 0.47 112.234 -172.714 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.599 ' HG2' ' O ' ' A' ' 142' ' ' LYS . 19.7 ptpt -88.46 -161.29 0.72 Allowed 'General case' 0 N--CA 1.466 0.366 0 C-N-CA 120.49 -0.484 . . . . 2.19 109.79 165.126 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.447 HD12 ' CE1' ' A' ' 140' ' ' TYR . 7.2 tt -138.59 127.01 23.1 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 108.559 -0.904 . . . . 1.14 108.559 -174.854 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.421 ' HB2' ' HE3' ' A' ' 141' ' ' LYS . 42.8 tt0 -99.04 -48.49 4.85 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 121.104 -0.239 . . . . 2.08 111.444 -175.752 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 15.0 ptm180 -157.56 -173.65 4.5 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.967 0.413 . . . . 3.36 111.185 -176.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -167.06 161.82 15.05 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.565 -0.743 . . . . 1.19 109.513 -177.674 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 59.2 mm-40 -140.36 134.89 31.54 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 123.133 0.27 . . . . 2.66 111.023 -175.544 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 57.1 t30 67.83 25.66 7.84 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-O 121.74 0.781 . . . . 0.76 111.234 173.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.406 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 24.3 t80 -74.63 -41.47 60.31 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.443 -0.799 . . . . 0.49 111.117 -173.587 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -54.31 -55.29 29.79 Favored 'General case' 0 CA--C 1.516 -0.341 0 CA-C-O 120.582 0.229 . . . . 2.04 111.243 176.819 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -56.96 -37.71 71.96 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.036 -0.529 . . . . 1.79 111.174 -178.684 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 53.6 t80 -61.91 -43.21 99.32 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 120.824 -0.35 . . . . 0.57 110.943 174.127 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.406 ' HG ' ' O ' ' A' ' 19' ' ' PHE . 94.6 mt -63.34 -41.86 98.91 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.98 0.419 . . . . 0.37 110.298 -178.42 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -65.08 -43.33 92.48 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.7 -0.682 . . . . 1.88 110.2 179.637 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.44 -39.68 76.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.657 -0.701 . . . . 0.44 111.014 175.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.456 ' NH1' ' HB2' ' A' ' 114' ' ' GLU . 12.5 mmm180 -69.91 -17.77 63.35 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.712 -0.677 . . . . 1.29 111.267 178.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 96.93 12.01 51.25 Favored Glycine 0 N--CA 1.446 -0.694 0 C-N-CA 120.781 -0.723 . . . . 0.62 112.393 -179.709 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 58.1 m-85 -73.91 123.51 24.39 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.937 0.399 . . . . 0.64 110.17 178.735 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -77.38 -173.69 39.93 Favored Glycine 0 N--CA 1.443 -0.875 0 C-N-CA 120.732 -0.746 . . . . 1.54 112.343 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.574 ' O ' ' HG2' ' A' ' 34' ' ' GLN . 83.8 t90 -54.95 -51.34 66.45 Favored 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 122.465 0.306 . . . . 1.18 111.566 -176.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 1.3 mm -54.36 -52.07 42.76 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.208 0 CA-C-O 120.823 0.344 . . . . 2.16 111.772 -178.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.408 ' HE1' H121 ' A' 1001 ' ' OLA . 0.0 OUTLIER -56.8 -44.89 82.39 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.147 -0.479 . . . . 0.97 110.71 179.513 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 47.5 mtm105 -63.68 -25.84 68.39 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 121.096 -0.242 . . . . 1.87 111.105 179.236 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.696 ' O ' HD23 ' A' ' 38' ' ' LEU . 26.1 mm-40 -76.67 -39.19 52.96 Favored 'General case' 0 C--O 1.223 -0.295 0 CA-C-O 120.796 0.331 . . . . 1.97 110.629 178.366 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.468 ' CG1' ' HG2' ' A' ' 64' ' ' LYS . 70.6 t -75.92 -63.77 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-O 121.149 0.5 . . . . 0.68 110.97 -179.191 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.573 ' HA ' ' H9 ' ' A' 1001 ' ' OLA . 83.8 mt -42.74 -45.76 1.18 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.445 0 C-N-CA 124.45 1.1 . . . . 0.51 113.685 -179.202 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 46.4 mtmt -78.42 -23.44 46.68 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.524 0.565 . . . . 0.97 112.524 -174.309 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.696 HD23 ' O ' ' A' ' 34' ' ' GLN . 4.6 mm? -85.79 -28.15 24.72 Favored 'General case' 0 C--N 1.321 -0.667 0 C-N-CA 120.762 -0.375 . . . . 2.08 111.038 -177.059 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.483 ' HA ' ' OG1' ' A' ' 63' ' ' THR . . . -65.64 122.76 17.99 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.087 -0.506 . . . . 1.03 111.166 176.506 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.434 ' H ' HG23 ' A' ' 63' ' ' THR . . . -76.11 150.96 39.79 Favored Glycine 0 N--CA 1.448 -0.517 0 N-CA-C 110.543 -1.023 . . . . 0.84 110.543 174.237 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.445 ' HA ' HG22 ' A' ' 62' ' ' THR . 40.9 t -124.7 126.83 72.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 117.376 0.588 . . . . 1.3 111.939 -173.254 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 23.2 m -116.24 113.45 23.04 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.319 -0.855 . . . . 0.45 109.691 174.526 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.5 ' HE2' ' CE ' ' A' ' 127' ' ' MET . 49.1 mttp -109.22 139.46 44.11 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.978 -0.379 . . . . 0.79 109.978 178.7 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.428 ' HB3' HG23 ' A' ' 10' ' ' THR . 15.8 ptmt -140.9 134.8 30.55 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-O 121.135 0.493 . . . . 1.96 111.529 -175.382 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.531 ' HB3' HD23 ' A' ' 8' ' ' LEU . 59.5 m-85 -121.22 140.53 51.9 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.071 -0.968 . . . . 0.54 109.53 176.146 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.416 ' HG3' ' HB3' ' A' ' 57' ' ' ASP . 36.7 ptt180 -164.98 173.92 11.05 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 116.313 -0.403 . . . . 3.17 110.564 -176.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 19.0 m120 -64.33 160.49 18.75 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.536 -0.756 . . . . 1.85 108.986 171.316 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -48.7 146.36 3.16 Favored 'General case' 0 N--CA 1.464 0.27 0 N-CA-C 112.388 0.514 . . . . 0.87 112.388 -174.616 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -43.05 -64.07 0.69 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.558 -0.746 . . . . 1.48 112.57 -176.863 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 65.2 m -63.01 -40.24 97.17 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.826 0.822 . . . . 2.37 109.879 177.681 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 122.15 31.0 1.13 Allowed Glycine 0 N--CA 1.446 -0.658 0 CA-C-N 114.963 -1.017 . . . . 1.91 112.057 176.654 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 29.3 mtpp -69.07 143.11 93.88 Favored Pre-proline 0 C--N 1.323 -0.56 0 N-CA-C 109.577 -0.527 . . . . 3.17 109.577 177.853 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.513 ' O ' ' HB3' ' A' ' 54' ' ' ASP . 87.9 Cg_endo -76.31 142.56 24.15 Favored 'Trans proline' 0 C--O 1.239 0.563 0 C-N-CA 122.509 2.139 . . . . 1.84 111.665 179.625 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.513 ' HB3' ' O ' ' A' ' 53' ' ' PRO . 21.9 t70 83.49 -52.88 0.15 Allowed 'General case' 0 N--CA 1.465 0.279 0 O-C-N 124.302 1.002 . . . . 2.44 109.395 178.237 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.448 ' HD2' ' HB2' ' A' ' 73' ' ' ALA . 14.6 mmm180 -64.32 135.95 56.69 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.745 -0.661 . . . . 4.1 110.977 172.788 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.47 ' CE1' ' HB2' ' A' ' 3' ' ' LEU . 57.0 m-85 -116.88 176.94 4.89 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 115.75 -0.659 . . . . 0.97 110.72 179.816 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.416 ' HB3' ' HG3' ' A' ' 46' ' ' ARG . 15.2 t70 -135.32 139.24 44.16 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.52 -0.548 . . . . 1.1 109.52 179.291 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.414 ' HG3' ' CE2' ' A' ' 45' ' ' PHE . 1.6 tmt? -142.16 141.84 32.67 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.229 -0.656 . . . . 0.98 109.229 -178.403 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.408 ' HG3' ' O ' ' A' ' 67' ' ' THR . 50.0 tt0 -144.35 148.83 35.23 Favored 'General case' 0 C--N 1.322 -0.598 0 C-N-CA 120.568 -0.453 . . . . 1.11 111.977 -174.324 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.474 ' OD1' ' HG2' ' A' ' 43' ' ' LYS . 43.4 m-80 -123.84 109.01 13.1 Favored 'General case' 0 CA--C 1.515 -0.385 0 CA-C-N 115.395 -0.821 . . . . 1.17 109.865 179.371 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 80.6 mt -108.72 124.99 51.43 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 110.069 -0.345 . . . . 1.67 110.069 177.172 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.445 HG22 ' HA ' ' A' ' 41' ' ' VAL . 42.6 p -131.21 -175.65 3.76 Favored 'General case' 0 N--CA 1.445 -0.701 0 N-CA-C 109.077 -0.712 . . . . 0.45 109.077 -179.595 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.483 ' OG1' ' HA ' ' A' ' 39' ' ' ALA . 25.0 p -84.16 -27.68 27.93 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-O 121.245 0.545 . . . . 0.54 110.721 179.622 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.468 ' HG2' ' CG1' ' A' ' 35' ' ' VAL . 23.4 tptp -105.21 -22.0 13.15 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.805 -0.634 . . . . 2.24 111.249 -173.026 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.465 ' HB3' ' H ' ' A' ' 66' ' ' ASP . 57.1 mmtt -142.14 -157.43 0.77 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.862 0.363 . . . . 1.82 111.543 -172.155 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.465 ' H ' ' HB3' ' A' ' 65' ' ' LYS . 6.1 p-10 168.17 132.4 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.141 -0.936 . . . . 2.12 109.488 -170.55 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.454 ' OG1' ' HB2' ' A' ' 60' ' ' ASN . 71.9 p -142.62 154.87 44.78 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 108.971 -0.752 . . . . 0.56 108.971 173.673 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 8.8 t-160 -142.61 99.34 3.47 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.035 0.445 . . . . 1.95 110.473 -178.392 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.463 ' CD2' ' HZ ' ' A' ' 92' ' ' PHE . 31.6 m-70 -77.11 84.55 3.6 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 108.659 -0.867 . . . . 0.39 108.659 175.149 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.452 ' H ' ' HG2' ' A' ' 70' ' ' LYS . 11.5 ptpt -80.24 123.27 27.8 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.015 -0.539 . . . . 2.3 112.355 -175.344 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.45 ' HA ' ' O ' ' A' ' 56' ' ' TYR . 6.5 p-10 46.91 69.56 0.48 Allowed 'General case' 0 N--CA 1.472 0.67 0 CA-C-N 114.585 -1.189 . . . . 2.07 112.619 175.115 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' TRP . . . . . 0.403 ' HE1' ' N ' ' A' ' 58' ' ' MET . 62.9 p-90 -104.8 150.44 24.79 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.09 -0.959 . . . . 0.43 109.785 176.175 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.617 ' HB1' ' OG ' ' A' ' 0' ' ' SER . . . -100.15 142.02 32.2 Favored 'General case' 0 C--N 1.314 -0.943 0 N-CA-C 109.776 -0.453 . . . . 0.55 109.776 174.34 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.76 HD11 HD23 ' A' ' 94' ' ' LEU . 1.8 tt -64.46 117.22 7.0 Favored 'General case' 0 C--N 1.315 -0.907 0 N-CA-C 109.39 -0.596 . . . . 1.71 109.39 172.148 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 96.43 19.8 26.76 Favored Glycine 0 N--CA 1.451 -0.362 0 CA-C-N 115.884 -0.598 . . . . 0.59 112.15 -170.17 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.496 ' HB2' ' HB3' ' A' ' 73' ' ' ALA . 10.5 tp10 -107.44 154.02 21.96 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-O 120.981 0.419 . . . . 2.37 110.771 179.489 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.464 ' HA ' ' O ' ' A' ' 90' ' ' ILE . 43.1 tt0 -128.38 108.63 10.73 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.33 -0.85 . . . . 1.4 108.853 177.715 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 53.9 p90 -131.09 159.39 37.74 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.511 -0.313 . . . . 0.57 110.45 -174.239 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 24.2 tt0 -90.44 152.09 21.12 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.429 -0.582 . . . . 1.95 109.429 176.281 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.444 ' O ' ' HA ' ' A' ' 87' ' ' GLN . 10.0 t0 -159.57 174.08 15.15 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.098 -0.705 . . . . 1.26 109.098 -173.836 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -115.7 104.22 11.46 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.859 0.838 . . . . 2.13 109.223 176.44 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.403 ' HA ' HG21 ' A' ' 67' ' ' THR . . . -87.26 179.06 6.69 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 114.399 -1.273 . . . . 0.95 113.069 -167.882 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.583 HD22 ' H ' ' A' ' 83' ' ' LEU . 2.8 mm? -56.45 -29.81 62.13 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 121.17 0.51 . . . . 1.34 110.249 -179.726 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -76.46 10.68 1.94 Allowed 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.128 -0.942 . . . . 1.55 112.498 -174.855 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 24.9 m 74.57 0.76 3.66 Favored 'General case' 0 N--CA 1.467 0.407 0 N-CA-C 113.486 0.921 . . . . 1.21 113.486 169.312 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 52.5 p -120.33 168.99 10.71 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 119.928 -0.709 . . . . 0.93 111.539 177.336 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.444 ' HA ' ' O ' ' A' ' 80' ' ' ASP . 5.8 mm-40 -98.79 127.95 44.87 Favored 'General case' 0 CA--C 1.511 -0.543 0 N-CA-C 108.564 -0.902 . . . . 1.88 108.564 -178.485 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' HIS . . . . . 0.607 ' CB ' ' HA ' ' A' ' 106' ' ' LYS . 12.6 p80 -154.59 170.68 20.92 Favored 'General case' 0 C--N 1.32 -0.696 0 C-N-CA 120.713 -0.395 . . . . 1.04 111.641 177.173 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.525 ' CG ' ' HB ' ' A' ' 105' ' ' ILE . 6.1 ptpp? -77.62 150.9 34.57 Favored 'General case' 0 N--CA 1.45 -0.425 0 CA-C-N 115.637 -0.711 . . . . 1.49 110.327 -176.673 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.464 ' O ' ' HA ' ' A' ' 77' ' ' GLU . 61.7 mt -142.77 137.56 27.67 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.804 0 CA-C-N 115.442 -0.799 . . . . 0.54 110.367 -176.829 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.448 ' HA ' ' O ' ' A' ' 76' ' ' GLU . 72.8 m -128.5 140.22 51.92 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.785 0.326 . . . . 0.43 111.256 179.818 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.463 ' HZ ' ' CD2' ' A' ' 69' ' ' HIS . 48.5 m-85 -113.12 137.98 50.63 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.059 -0.719 . . . . 0.6 109.059 175.861 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -158.56 146.2 18.0 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.915 0.388 . . . . 1.69 111.321 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.76 HD23 HD11 ' A' ' 74' ' ' LEU . 0.8 OUTLIER -94.51 117.29 29.9 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.141 -0.688 . . . . 1.12 109.141 175.687 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 23.4 ttmm -91.02 -58.52 2.44 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 108.993 -0.743 . . . . 3.03 108.993 -177.016 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.45 ' C ' ' H ' ' A' ' 98' ' ' ASN . 12.6 m-20 -107.56 165.55 12.6 Favored Pre-proline 0 C--N 1.319 -0.724 0 N-CA-C 107.55 -1.278 . . . . 1.79 107.55 172.659 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 16.8 Cg_exo -68.63 14.02 0.2 Allowed 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.935 2.423 . . . . 0.98 112.727 -177.192 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' ASN . . . . . 0.45 ' H ' ' C ' ' A' ' 96' ' ' ASP . 27.8 p-10 -159.21 26.99 0.2 Allowed 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.931 -0.577 . . . . 2.32 109.624 178.25 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.415 ' HB ' ' H ' ' A' ' 96' ' ' ASP . 58.5 m -139.39 110.36 6.83 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 115.658 -0.701 . . . . 0.56 111.194 179.506 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.481 ' HB3' ' HB2' ' A' ' 118' ' ' TYR . 14.1 tp -103.83 133.98 47.91 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.763 -0.653 . . . . 1.1 109.79 177.773 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 14.4 p -113.41 132.63 55.55 Favored 'General case' 0 C--N 1.321 -0.645 0 O-C-N 121.777 -0.577 . . . . 0.41 111.316 -179.694 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -115.19 96.61 5.76 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.701 -0.681 . . . . 1.31 109.508 177.548 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' THR . . . . . 0.463 ' O ' ' HA ' ' A' ' 90' ' ' ILE . 26.8 m -89.03 117.89 28.36 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.833 -0.622 . . . . 0.51 110.691 -174.217 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' HIS . . . . . 0.54 ' HB3' ' CE1' ' A' ' 88' ' ' HIS . 10.6 m170 -102.05 92.16 4.65 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.297 -0.411 . . . . 1.69 110.335 -179.832 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.525 ' HB ' ' CG ' ' A' ' 89' ' ' LYS . 15.9 mt -90.4 111.92 24.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-O 121.422 0.629 . . . . 0.75 110.725 177.888 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.607 ' HA ' ' CB ' ' A' ' 88' ' ' HIS . 98.6 mttt -61.08 118.11 6.37 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.075 -0.966 . . . . 1.61 111.504 178.598 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.411 HG13 ' HA ' ' A' ' 88' ' ' HIS . 29.5 m -65.65 -23.88 33.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 114.959 -1.018 . . . . 1.32 111.006 179.657 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -82.42 -37.13 25.93 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 116.341 -0.39 . . . . 2.5 110.452 -179.575 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.43 ' O ' ' HB2' ' A' ' 106' ' ' LYS . 15.0 t70 -152.82 100.36 2.73 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.392 0.615 . . . . 2.39 110.275 177.016 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.401 ' HD2' ' HA ' ' A' ' 109' ' ' ASP . 63.3 Cg_endo -74.01 9.5 1.68 Allowed 'Trans proline' 0 CA--C 1.531 0.344 0 C-N-CA 123.281 2.654 . . . . 0.9 113.969 -177.623 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 63.7 p -110.85 14.83 22.1 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.695 0.76 . . . . 1.47 110.492 176.368 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -130.5 27.6 5.0 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 122.085 0.945 . . . . 1.59 109.099 175.444 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.494 ' CG1' ' HA ' ' A' ' 105' ' ' ILE . 16.9 m -72.52 178.8 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 114.909 -1.041 . . . . 1.6 111.568 -175.64 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.456 ' HB2' ' NH1' ' A' ' 26' ' ' ARG . 8.4 tp10 -162.1 153.02 17.71 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.244 -0.435 . . . . 2.78 110.166 176.582 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 86.7 m -131.17 130.24 42.77 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.265 0.555 . . . . 0.53 110.867 -176.832 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' TYR . . . . . 0.438 ' HB3' ' CE ' ' A' ' 127' ' ' MET . 9.7 m-30 -95.08 144.69 25.53 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 107.518 -1.29 . . . . 0.96 107.518 174.513 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 117' ' ' GLU . . . . . 0.546 ' O ' ' HA ' ' A' ' 127' ' ' MET . 37.4 tt0 -129.36 120.02 24.87 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 118.964 0.802 . . . . 1.27 109.268 -175.608 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 118' ' ' TYR . . . . . 0.481 ' HB2' ' HB3' ' A' ' 100' ' ' LEU . 78.2 m-85 -96.81 108.37 21.03 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.135 -0.484 . . . . 0.6 110.632 -175.546 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 22.7 ttt180 -120.39 152.17 38.27 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.101 -0.499 . . . . 3.41 109.841 178.301 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' ARG . . . . . 0.49 ' NH2' ' HA ' ' A' ' 123' ' ' ASP . 14.9 mmm180 -98.3 138.95 34.81 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 120.884 0.373 . . . . 1.96 111.259 -179.294 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -130.4 88.97 2.71 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.015 -0.539 . . . . 1.08 109.583 176.749 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 68.25 -95.5 0.36 Allowed Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 120.949 -0.643 . . . . 0.92 111.611 -176.226 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' ASP . . . . . 0.49 ' HA ' ' NH2' ' A' ' 120' ' ' ARG . 6.2 p-10 -118.71 -2.09 11.0 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.987 0.422 . . . . 2.31 110.667 177.607 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 24.1 m-85 -96.55 143.83 27.18 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.089 -0.505 . . . . 0.67 110.857 -178.707 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -93.59 118.44 31.37 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 107.753 -1.202 . . . . 1.03 107.753 172.514 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 59.6 t -117.2 129.3 73.96 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.819 0 CA-C-O 121.152 0.501 . . . . 0.47 109.833 -173.406 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 127' ' ' MET . . . . . 0.569 ' HB3' ' HB3' ' A' ' 138' ' ' ARG . 23.3 ttm -103.49 138.82 39.68 Favored 'General case' 0 C--N 1.311 -1.068 0 CA-C-N 115.77 -0.65 . . . . 1.08 110.829 -178.858 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 128' ' ' LYS . . . . . 0.41 ' HB2' ' HB3' ' A' ' 117' ' ' GLU . 23.8 mmtp -108.5 129.82 55.28 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.543 -0.753 . . . . 2.2 109.431 175.003 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 67.3 mtp -131.91 127.43 36.41 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 107.874 -1.158 . . . . 1.11 107.874 175.666 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 130' ' ' SER . . . . . 0.496 ' HA ' ' O ' ' A' ' 134' ' ' VAL . 7.2 p -139.9 129.98 25.0 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.044 0.45 . . . . 1.06 112.169 -172.199 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 131' ' ' TRP . . . . . 0.449 ' CG ' ' HD2' ' A' ' 26' ' ' ARG . 30.1 t-105 -146.03 131.03 18.23 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.455 -0.793 . . . . 0.76 110.084 178.624 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 59.0 mttp 51.24 43.75 29.13 Favored 'General case' 0 C--N 1.327 -0.371 0 O-C-N 123.677 0.61 . . . . 1.96 111.634 -179.259 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 80.73 -6.23 62.51 Favored Glycine 0 N--CA 1.451 -0.338 0 CA-C-N 115.633 -0.712 . . . . 0.53 113.289 177.609 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 134' ' ' VAL . . . . . 0.496 ' O ' ' HA ' ' A' ' 130' ' ' SER . 4.3 t -93.54 105.6 17.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.97 0.385 . . . . 0.43 110.479 -179.249 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -99.66 132.07 45.24 Favored 'General case' 0 N--CA 1.438 -1.063 0 CA-C-O 121.171 0.51 . . . . 1.14 110.397 176.801 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 6.1 t -120.43 140.25 51.65 Favored 'General case' 0 C--N 1.31 -1.131 0 CA-C-N 115.537 -0.756 . . . . 0.4 109.571 177.677 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 15.2 m -106.13 117.15 33.3 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.018 0.437 . . . . 0.79 110.233 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 138' ' ' ARG . . . . . 0.569 ' HB3' ' HB3' ' A' ' 127' ' ' MET . 5.4 tpt180 -97.79 108.22 20.88 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 108.588 -0.893 . . . . 1.84 108.588 179.183 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 92.5 m-85 -91.58 112.9 25.0 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.859 0.362 . . . . 0.64 111.747 -171.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 140' ' ' TYR . . . . . 0.447 ' CE1' HD12 ' A' ' 13' ' ' LEU . 95.3 m-85 -107.83 147.01 31.48 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.824 -0.626 . . . . 0.6 110.942 177.518 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 141' ' ' LYS . . . . . 0.503 ' HG3' ' O ' ' A' ' 142' ' ' LYS . 17.5 ptpt -127.95 166.43 18.35 Favored 'General case' 0 C--N 1.31 -1.149 0 N-CA-C 107.194 -1.41 . . . . 1.92 107.194 173.676 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 142' ' ' LYS . . . . . 0.599 ' O ' ' HG2' ' A' ' 12' ' ' LYS . 31.1 mtpp -54.5 165.84 0.52 Allowed 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 119.304 0.956 . . . . 2.13 111.262 173.164 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 143' ' ' GLN . . . . . 0.525 ' OE1' ' HB3' ' A' ' 12' ' ' LYS . 11.9 mm100 . . . . . 0 C--O 1.245 0.865 0 O-C-N 121.537 -0.727 . . . . 1.46 110.399 165.117 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1001 ' ' OLA . . . . . 0.573 ' H9 ' ' HA ' ' A' ' 36' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' -11' ' ' MET . . . . . . . . . . . . . 1.9 mpt? . . . . . 0 N--CA 1.481 1.112 0 N-CA-C 110.121 -0.325 . . . . 14.47 110.121 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' -10' ' ' ARG . . . . . . . . . . . . . 53.5 ttt180 -72.22 -35.8 68.97 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.894 -0.41 . . . . 15.82 109.894 177.057 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' -9' ' ' GLY . . . . . . . . . . . . . . . -74.56 134.59 17.96 Favored Glycine 0 N--CA 1.446 -0.668 0 C-N-CA 120.725 -0.75 . . . . 11.88 111.458 178.042 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' -8' ' ' SER . . . . . . . . . . . . . 47.8 m 65.28 -171.36 0.19 Allowed 'General case' 0 C--O 1.234 0.28 0 C-N-CA 122.513 0.325 . . . . 11.68 110.741 -177.746 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' -7' ' ' HIS . . . . . . . . . . . . . 89.6 m-70 62.94 38.83 10.91 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 120.915 0.388 . . . . 11.79 111.279 178.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' -6' ' ' HIS . . . . . . . . . . . . . 18.1 t-80 -79.92 -20.08 46.56 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.979 0.418 . . . . 10.98 110.312 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' -5' ' ' HIS . . . . . . . . . . . . . 44.9 m80 -92.5 31.85 1.29 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.095 0.474 . . . . 9.31 110.298 177.585 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' -4' ' ' HIS . . . . . . . . . . . . . 59.8 t-80 -82.3 73.81 9.31 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.716 -0.674 . . . . 10.54 109.465 178.641 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' -3' ' ' HIS . . . . . . . . . . . . . 33.0 m80 59.02 85.1 0.1 Allowed 'General case' 0 CA--C 1.52 -0.195 0 CA-C-N 115.7 -0.682 . . . . 8.73 110.387 -174.184 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 6.7 t-80 -77.72 56.84 1.55 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.549 0.69 . . . . 7.06 110.429 -177.301 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -133.4 149.58 19.68 Favored Glycine 0 N--CA 1.443 -0.863 0 CA-C-N 115.192 -0.913 . . . . 3.5 110.844 178.063 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 0' ' ' SER . . . . . 0.504 ' OG ' ' HB1' ' A' ' 73' ' ' ALA . 3.6 m -88.72 147.54 24.43 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-O 121.179 0.514 . . . . 3.11 111.174 -175.151 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 6.9 mtpm? -76.26 134.43 39.8 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 107.484 -1.302 . . . . 2.99 107.484 166.852 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 2.8 m -77.33 131.79 38.27 Favored 'General case' 0 C--N 1.316 -0.849 0 C-N-CA 120.685 -0.406 . . . . 0.99 110.916 -172.65 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.491 ' HB2' ' CE1' ' A' ' 56' ' ' TYR . 0.5 OUTLIER -64.36 120.95 69.4 Favored Pre-proline 0 C--N 1.327 -0.401 0 CA-C-N 115.632 -0.713 . . . . 0.59 110.422 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 41.4 Cg_exo -56.49 125.55 19.41 Favored 'Trans proline' 0 N--CA 1.459 -0.522 0 C-N-CA 122.342 2.028 . . . . 0.61 110.432 172.88 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.531 ' HA ' HD12 ' A' ' 8' ' ' LEU . 4.2 p-10 -57.45 -20.48 30.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.108 -0.496 . . . . 2.19 111.62 -175.393 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 70.7 tttt -64.21 -15.91 60.93 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.39 -0.368 . . . . 2.53 111.555 179.108 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 31.7 m-85 -97.51 -1.55 43.81 Favored 'General case' 0 C--N 1.333 -0.129 0 O-C-N 122.053 -0.404 . . . . 0.6 110.53 176.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.531 HD12 ' HA ' ' A' ' 5' ' ' ASP . 83.1 mt -100.1 150.54 22.38 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.121 0.486 . . . . 0.46 111.083 -174.314 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 133.55 -179.1 17.74 Favored Glycine 0 N--CA 1.446 -0.64 0 CA-C-N 115.467 -0.788 . . . . 0.52 111.997 -178.676 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 56.4 m -110.78 126.82 55.02 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.856 -0.424 . . . . 1.05 109.856 176.666 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 45.1 m-85 -126.91 133.63 50.63 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.429 -0.351 . . . . 0.47 111.127 -175.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.48 ' HG2' ' O ' ' A' ' 142' ' ' LYS . 21.0 ptmt -93.9 138.4 32.08 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 120.686 -0.405 . . . . 2.19 110.442 172.597 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.472 HD11 ' CZ ' ' A' ' 138' ' ' ARG . 5.4 tt -55.19 121.48 8.91 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.57 -0.286 . . . . 1.14 110.471 175.008 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -94.64 -52.82 4.13 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.315 -0.402 . . . . 2.08 110.376 179.126 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 14.3 ptm180 -163.62 -169.52 1.95 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.275 -0.42 . . . . 3.36 110.037 -177.898 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -147.18 -174.37 4.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.839 0.352 . . . . 1.19 111.125 -177.384 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -162.6 109.49 1.26 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.779 -0.646 . . . . 2.66 110.085 -179.616 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 69.27 24.44 5.94 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-O 121.742 0.782 . . . . 0.76 110.711 176.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 76.9 t80 -73.58 -41.41 62.93 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.428 -0.806 . . . . 0.49 111.335 -174.363 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.547 ' OD1' ' HE3' ' A' ' 24' ' ' LYS . 27.9 t70 -57.3 -48.65 78.37 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.92 0.391 . . . . 2.04 110.775 179.256 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -60.32 -35.39 75.52 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.12 -0.491 . . . . 1.79 111.533 178.519 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 82.7 t80 -60.75 -40.2 91.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.871 0.367 . . . . 0.57 110.644 174.39 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.427 HD13 ' HA ' ' A' ' 33' ' ' ARG . 96.1 mt -63.89 -38.42 91.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.37 110.621 -178.245 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.547 ' HE3' ' OD1' ' A' ' 20' ' ' ASP . 96.9 mttt -61.95 -47.93 82.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.866 -0.606 . . . . 1.88 110.154 178.883 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.93 -36.08 76.26 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.43 -0.805 . . . . 0.44 111.098 179.13 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 19.0 mmm180 -74.9 -11.01 60.03 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.924 -0.58 . . . . 1.29 111.668 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 99.98 11.97 41.37 Favored Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 120.489 -0.863 . . . . 0.62 112.943 176.179 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 94.8 m-85 -84.91 122.04 28.61 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.891 0.377 . . . . 0.64 110.175 177.32 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -78.02 -176.31 45.9 Favored Glycine 0 N--CA 1.445 -0.703 0 CA-C-N 115.664 -0.698 . . . . 1.54 112.014 177.33 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.526 ' O ' ' HG2' ' A' ' 34' ' ' GLN . 42.8 t90 -51.04 -43.48 60.94 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 122.286 0.234 . . . . 1.18 111.625 -178.836 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.819 ' H ' HD12 ' A' ' 31' ' ' ILE . 3.6 mp -56.73 -59.28 3.19 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.774 0 CA-C-O 121.402 0.62 . . . . 2.16 110.004 -175.484 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.706 ' O ' HG12 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -62.89 -40.76 98.54 Favored 'General case' 0 N--CA 1.427 -1.591 0 CA-C-N 115.112 -0.949 . . . . 0.97 110.918 -177.751 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.427 ' HA ' HD13 ' A' ' 23' ' ' LEU . 46.9 mtm105 -57.31 -30.09 64.47 Favored 'General case' 0 C--N 1.33 -0.243 0 O-C-N 123.201 0.313 . . . . 1.87 110.972 178.844 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.526 ' HG2' ' O ' ' A' ' 30' ' ' TRP . 29.4 mm-40 -66.64 -46.8 74.6 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.303 -0.629 . . . . 1.97 109.303 174.605 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 67.3 t -64.68 -58.6 6.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.162 -0.472 . . . . 0.68 111.11 -177.607 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.706 HG12 ' O ' ' A' ' 32' ' ' MET . 2.3 mm -47.68 -48.25 10.96 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.406 0 CA-C-N 116.017 -0.538 . . . . 0.51 111.975 -177.096 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.422 ' HE2' ' O ' ' A' ' 33' ' ' ARG . 52.3 mtmt -77.28 -32.17 55.3 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.224 -0.444 . . . . 0.97 111.68 -174.593 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 14.8 mt -102.6 32.39 3.64 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.838 0.352 . . . . 2.08 110.991 -176.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.481 ' O ' HG21 ' A' ' 63' ' ' THR . . . -90.75 -85.08 0.23 Allowed 'General case' 0 N--CA 1.447 -0.618 0 CA-C-O 121.119 0.485 . . . . 1.03 111.031 -178.647 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.473 ' O ' ' HA ' ' A' ' 62' ' ' THR . . . 118.8 115.25 2.62 Favored Glycine 0 C--N 1.308 -0.99 0 N-CA-C 110.66 -0.976 . . . . 0.84 110.66 -167.524 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.983 ' HB ' HG22 ' A' ' 62' ' ' THR . 0.5 OUTLIER -145.07 136.91 20.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-O 121.482 0.658 . . . . 1.3 111.752 -175.755 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 29.3 m -115.23 125.38 53.29 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 114.826 -1.079 . . . . 0.45 110.301 178.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.507 ' HE3' ' SD ' ' A' ' 127' ' ' MET . 74.0 mmtt -88.79 134.31 33.97 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.567 -0.288 . . . . 0.79 110.393 178.583 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.483 ' HB2' ' HB2' ' A' ' 59' ' ' GLU . 51.2 mtpt -129.63 117.06 19.78 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 110.206 -0.294 . . . . 1.96 110.206 177.491 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.467 ' HB3' HD23 ' A' ' 8' ' ' LEU . 74.3 m-85 -118.83 130.19 55.63 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.424 -0.584 . . . . 0.54 109.424 174.68 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 11.2 ptp180 -161.17 167.5 26.01 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.22 0.533 . . . . 3.17 111.612 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.488 ' HA ' ' CD2' ' A' ' 56' ' ' TYR . 7.4 p30 -66.18 146.18 54.94 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 108.145 -1.058 . . . . 1.85 108.145 170.361 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -47.57 117.22 1.72 Allowed 'General case' 0 CA--C 1.519 -0.246 0 CA-C-O 121.075 0.464 . . . . 0.87 111.74 -172.81 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -46.64 -38.33 9.52 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 114.234 -1.348 . . . . 1.48 113.515 -175.545 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 49.4 m -73.8 14.13 0.42 Allowed 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.671 0.619 . . . . 2.37 112.671 -179.483 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 71.44 22.16 78.61 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.827 -0.702 . . . . 1.91 112.769 178.071 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.415 ' HD2' ' HD2' ' A' ' 53' ' ' PRO . 54.9 tptt -82.89 119.38 74.25 Favored Pre-proline 0 N--CA 1.447 -0.605 0 N-CA-C 109.647 -0.501 . . . . 3.17 109.647 178.297 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.491 ' O ' ' HB3' ' A' ' 54' ' ' ASP . 60.9 Cg_endo -72.68 147.71 45.69 Favored 'Trans proline' 0 C--O 1.238 0.496 0 C-N-CA 122.452 2.101 . . . . 1.84 112.317 -178.666 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.491 ' HB3' ' O ' ' A' ' 53' ' ' PRO . 27.5 t70 82.38 -52.02 0.21 Allowed 'General case' 0 N--CA 1.464 0.27 0 O-C-N 124.306 1.004 . . . . 2.44 109.529 178.47 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 9.8 mpt_? -64.13 141.8 58.64 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.378 -0.828 . . . . 4.1 112.261 173.13 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.491 ' CE1' ' HB2' ' A' ' 3' ' ' LEU . 90.5 m-85 -120.41 169.45 10.3 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.096 -0.956 . . . . 0.97 109.257 174.529 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.425 ' HB2' ' HA ' ' A' ' 70' ' ' LYS . 1.4 p-10 -136.04 151.04 49.46 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.368 -0.604 . . . . 1.1 109.368 171.559 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.446 ' HA ' ' O ' ' A' ' 44' ' ' LYS . 1.9 tmt? -143.08 138.41 29.88 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.901 -0.59 . . . . 0.98 110.01 -171.205 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.483 ' HB2' ' HB2' ' A' ' 44' ' ' LYS . 41.9 mt-10 -127.9 151.1 49.49 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.566 0.698 . . . . 1.11 112.812 -175.741 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.475 ' HB2' ' OG1' ' A' ' 67' ' ' THR . 36.9 m-80 -126.49 85.42 2.38 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 114.311 -1.313 . . . . 1.17 108.896 174.479 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 57.8 mt -84.11 108.77 17.22 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 116.127 -0.488 . . . . 1.67 110.516 -178.603 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.983 HG22 ' HB ' ' A' ' 41' ' ' VAL . 23.6 p -121.39 -179.22 4.0 Favored 'General case' 0 N--CA 1.445 -0.71 0 CA-C-N 116.248 -0.433 . . . . 0.45 109.869 -176.889 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.481 HG21 ' O ' ' A' ' 39' ' ' ALA . 26.9 p -86.1 -26.06 25.47 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-N 116.234 -0.439 . . . . 0.54 111.307 -177.621 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 32.2 mmmt -103.81 -17.85 14.89 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.275 -0.421 . . . . 2.24 110.842 -177.072 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.46 ' HA ' ' HE3' ' A' ' 65' ' ' LYS . 0.0 OUTLIER -137.28 -155.22 0.59 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.058 0.456 . . . . 1.82 111.123 -176.821 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.425 ' H ' ' HB3' ' A' ' 65' ' ' LYS . 6.3 p-10 166.4 98.76 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 114.604 -1.18 . . . . 2.12 108.56 -172.123 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.475 ' OG1' ' HB2' ' A' ' 60' ' ' ASN . 45.7 p -120.65 145.92 46.93 Favored 'General case' 0 C--N 1.307 -1.26 0 CA-C-N 115.39 -0.823 . . . . 0.56 110.142 -177.043 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 8.3 t-160 -140.73 91.98 2.47 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-N 115.858 -0.61 . . . . 1.95 109.925 -175.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 7.7 m-70 -68.05 87.33 0.26 Allowed 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 108.397 -0.964 . . . . 0.39 108.397 174.564 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.462 ' H ' ' HG2' ' A' ' 70' ' ' LYS . 12.0 ptpt -92.75 125.92 37.59 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 112.347 0.499 . . . . 2.3 112.347 -173.374 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 17.4 t70 64.77 68.48 0.52 Allowed 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 114.977 -1.01 . . . . 2.07 110.94 173.725 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 70.3 p-90 -119.86 152.65 37.01 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.893 -0.594 . . . . 0.43 110.204 176.606 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.504 ' HB1' ' OG ' ' A' ' 0' ' ' SER . . . -115.95 138.09 51.51 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-O 120.78 0.324 . . . . 0.55 110.319 178.732 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.571 HD11 HD13 ' A' ' 94' ' ' LEU . 4.6 tt -56.68 129.6 41.81 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.111 -0.495 . . . . 1.71 110.081 175.536 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.482 ' N ' HD23 ' A' ' 74' ' ' LEU . . . 89.4 -0.64 81.11 Favored Glycine 0 N--CA 1.45 -0.421 0 CA-C-N 115.789 -0.641 . . . . 0.59 112.37 -176.608 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.41 ' HG3' ' HB3' ' A' ' 73' ' ' ALA . 51.9 mm-40 -112.42 170.28 8.28 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.328 0.585 . . . . 2.37 110.979 -176.523 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -131.78 131.93 43.35 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.295 -0.866 . . . . 1.4 109.033 -176.222 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 34.9 p90 -136.38 159.6 41.27 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-O 120.612 0.244 . . . . 0.57 110.431 -177.084 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 70.5 mt-30 -91.16 145.59 24.55 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.702 -0.481 . . . . 1.95 109.702 172.695 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.51 ' HB3' HD12 ' A' ' 90' ' ' ILE . 7.8 t70 -167.59 165.19 14.62 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 115.682 -0.69 . . . . 1.26 109.686 -174.356 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.469 ' HA ' ' HA ' ' A' ' 87' ' ' GLN . 35.2 tt0 -98.96 118.89 36.76 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.188 -0.671 . . . . 2.13 109.188 179.73 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.481 ' HB3' ' OD1' ' A' ' 84' ' ' ASP . . . -96.1 178.46 5.4 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.528 -0.76 . . . . 0.95 112.348 -173.359 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.455 HD13 HG23 ' A' ' 67' ' ' THR . 3.1 mm? -63.39 -16.64 61.1 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.338 -0.392 . . . . 1.34 111.227 -177.804 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.513 ' HA ' H142 ' A' 1001 ' ' OLA . 6.8 p-10 -80.25 14.82 1.77 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.352 -0.385 . . . . 1.55 110.996 177.927 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 53.3 m 75.5 -32.03 0.21 Allowed 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 124.153 0.981 . . . . 1.21 112.712 169.47 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 11.9 p -90.83 165.69 13.49 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 120.827 0.346 . . . . 0.93 110.176 174.871 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.469 ' HA ' ' HA ' ' A' ' 81' ' ' GLU . 11.1 pt20 -109.69 152.69 25.28 Favored 'General case' 0 CA--C 1.503 -0.836 0 C-N-CA 120.496 -0.482 . . . . 1.88 109.973 -179.774 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' HIS . . . . . 0.696 ' HB2' ' O ' ' A' ' 105' ' ' ILE . 4.3 p80 -169.05 -172.52 1.56 Allowed 'General case' 0 C--N 1.313 -0.978 0 CA-C-N 115.615 -0.72 . . . . 1.04 111.232 -176.526 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 18.9 ptmt -78.32 142.3 37.83 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-O 120.993 0.425 . . . . 1.49 110.378 -177.135 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.51 HD12 ' HB3' ' A' ' 80' ' ' ASP . 65.4 mt -141.15 124.56 16.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 115.36 -0.836 . . . . 0.54 110.373 -179.356 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 6.1 m -107.94 133.78 51.79 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-O 120.965 0.412 . . . . 0.43 110.49 177.114 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -116.07 130.03 56.62 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.045 -0.724 . . . . 0.6 109.045 175.532 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -170.44 173.66 5.51 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 109.153 -0.684 . . . . 1.69 109.153 -176.769 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.571 HD13 HD11 ' A' ' 74' ' ' LEU . 2.9 mp -109.86 132.22 54.35 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.289 0.566 . . . . 1.12 111.185 -177.356 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 4.7 tmmm? -87.42 -39.67 15.05 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.086 -0.961 . . . . 3.03 108.56 179.035 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -145.81 161.62 39.48 Favored Pre-proline 0 C--N 1.323 -0.577 0 N-CA-C 107.714 -1.217 . . . . 1.79 107.714 172.589 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_exo -62.64 8.33 0.12 Allowed 'Trans proline' 0 N--CA 1.481 0.778 0 C-N-CA 123.581 2.854 . . . . 0.98 114.258 -174.57 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 20.1 t-20 -126.77 -10.57 6.11 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.555 0.217 . . . . 2.32 110.679 179.52 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 16.1 m -129.29 113.33 14.87 Favored 'General case' 0 C--O 1.236 0.389 0 N-CA-C 112.647 0.61 . . . . 0.56 112.647 -174.474 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.466 ' HB3' ' HB2' ' A' ' 118' ' ' TYR . 0.7 OUTLIER -77.61 148.54 35.07 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 107.672 -1.233 . . . . 1.1 107.672 169.002 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.529 HG22 ' HG2' ' A' ' 117' ' ' GLU . 17.0 p -129.15 135.7 49.21 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 118.689 0.677 . . . . 0.41 111.431 176.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 75.5 tt0 -117.25 109.05 16.38 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.512 -0.767 . . . . 1.31 109.928 176.61 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 43.0 m -106.9 119.75 40.2 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.892 -0.41 . . . . 0.51 109.892 179.798 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' HIS . . . . . 0.521 ' HB2' ' CE1' ' A' ' 88' ' ' HIS . 25.4 p80 -119.64 128.3 53.72 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 120.35 -0.54 . . . . 1.69 111.059 179.153 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.696 ' O ' ' HB2' ' A' ' 88' ' ' HIS . 53.0 mt -129.84 132.99 65.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.404 -0.817 . . . . 0.75 109.973 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.584 ' HA ' ' CB ' ' A' ' 88' ' ' HIS . 46.5 mttp -63.39 119.82 10.44 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.282 0.563 . . . . 1.61 112.314 -179.707 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.659 HG13 ' HA ' ' A' ' 88' ' ' HIS . 29.9 m -59.93 -29.94 44.34 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.232 0 CA-C-N 114.893 -1.049 . . . . 1.32 110.71 176.148 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -75.12 -60.31 2.35 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.217 -0.901 . . . . 2.5 110.284 179.517 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.42 ' C ' ' H ' ' A' ' 111' ' ' THR . 3.3 m-20 -133.37 99.64 14.42 Favored Pre-proline 0 C--N 1.319 -0.739 0 CA-C-N 115.34 -0.846 . . . . 2.39 109.999 179.549 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.414 ' HD2' ' HA ' ' A' ' 109' ' ' ASP . 55.6 Cg_endo -67.73 14.55 0.15 Allowed 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 124.011 3.141 . . . . 0.9 113.148 -178.159 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 111' ' ' THR . . . . . 0.42 ' H ' ' C ' ' A' ' 109' ' ' ASP . 28.7 p -71.5 -32.38 68.16 Favored 'General case' 0 N--CA 1.443 -0.777 0 N-CA-C 109.232 -0.655 . . . . 1.47 109.232 174.687 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -83.62 103.99 13.38 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 114.986 -1.006 . . . . 1.59 110.397 174.634 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.42 HG22 HG12 ' A' ' 105' ' ' ILE . 24.2 t -124.39 132.24 71.62 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.297 0 N-CA-C 108.966 -0.753 . . . . 1.6 108.966 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.506 ' HB3' ' NE2' ' A' ' 104' ' ' HIS . 40.8 tt0 -152.13 145.35 24.66 Favored 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 120.713 -0.395 . . . . 2.78 110.718 177.198 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 30.8 m -131.54 130.38 42.24 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.051 -0.522 . . . . 0.53 111.261 -178.198 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' TYR . . . . . 0.447 ' HB3' ' CE ' ' A' ' 127' ' ' MET . 20.2 m-85 -104.3 154.42 19.83 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 107.54 -1.281 . . . . 0.96 107.54 172.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 117' ' ' GLU . . . . . 0.529 ' HG2' HG22 ' A' ' 101' ' ' THR . 31.7 mt-10 -132.79 129.25 38.32 Favored 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 108.642 -0.873 . . . . 1.27 108.642 179.41 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 118' ' ' TYR . . . . . 0.475 ' HD1' HD11 ' A' ' 125' ' ' LEU . 76.1 m-85 -109.98 98.65 7.9 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.772 0.32 . . . . 0.6 111.0 -176.643 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 2.6 ptp180 -117.37 167.35 11.33 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.067 0.46 . . . . 3.41 111.303 179.448 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 11.8 mmm180 -121.96 119.36 31.28 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.117 -0.492 . . . . 1.96 110.669 179.746 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -101.95 -11.28 19.09 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.638 0.732 . . . . 1.08 109.521 175.331 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -179.85 -131.3 1.61 Allowed Glycine 0 N--CA 1.447 -0.579 0 CA-C-N 115.141 -0.936 . . . . 0.92 111.062 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -88.24 24.24 1.93 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.057 0.456 . . . . 2.31 110.96 178.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 82.7 m-85 -128.92 138.16 51.84 Favored 'General case' 0 N--CA 1.444 -0.754 0 N-CA-C 109.234 -0.654 . . . . 0.67 109.234 -179.156 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.475 HD11 ' HD1' ' A' ' 118' ' ' TYR . 2.2 tm? -76.33 102.38 5.88 Favored 'General case' 0 N--CA 1.436 -1.166 0 N-CA-C 107.088 -1.449 . . . . 1.03 107.088 171.766 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 19.1 t -94.85 103.98 15.3 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.866 0 N-CA-C 108.545 -0.909 . . . . 0.47 108.545 -173.471 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 127' ' ' MET . . . . . 0.507 ' SD ' ' HE3' ' A' ' 43' ' ' LYS . 28.1 ttt -95.43 140.85 29.71 Favored 'General case' 0 C--N 1.302 -1.487 0 CA-C-N 114.521 -1.218 . . . . 1.08 109.771 -172.911 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 128' ' ' LYS . . . . . 0.454 ' HB3' ' HB2' ' A' ' 117' ' ' GLU . 47.4 tttm -125.95 136.87 53.51 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-O 120.931 0.396 . . . . 2.2 110.062 -176.345 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 129' ' ' MET . . . . . 0.621 ' HE3' ' H22' ' A' 1001 ' ' OLA . 44.8 mtp -137.27 130.74 31.31 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 108.496 -0.927 . . . . 1.11 108.496 179.681 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 8.1 p -141.92 132.26 25.05 Favored 'General case' 0 C--N 1.323 -0.586 0 C-N-CA 120.518 -0.473 . . . . 1.06 111.983 -177.185 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 131' ' ' TRP . . . . . . . . . . . . . 56.8 t-105 -147.51 132.88 18.54 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.51 -0.768 . . . . 0.76 110.109 177.334 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 68.1 mttm 54.11 37.48 27.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.685 -0.689 . . . . 1.96 111.604 -178.072 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 85.47 -27.96 4.99 Favored Glycine 0 N--CA 1.451 -0.323 0 CA-C-N 115.999 -0.546 . . . . 0.53 113.094 -179.608 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 16.4 t -76.77 108.43 9.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 120.927 0.394 . . . . 0.43 110.034 -178.083 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 32.1 t -109.13 159.5 16.84 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.788 0.804 . . . . 1.14 110.81 -179.702 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 136' ' ' THR . . . . . 0.451 ' CG2' ' HB2' ' A' ' 129' ' ' MET . 4.7 t -142.06 141.62 32.78 Favored 'General case' 0 C--N 1.307 -1.269 0 CA-C-N 114.275 -1.33 . . . . 0.4 110.758 -179.355 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -102.67 101.29 11.4 Favored 'General case' 0 N--CA 1.446 -0.631 0 N-CA-C 109.159 -0.682 . . . . 0.79 109.159 174.817 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 138' ' ' ARG . . . . . 0.494 ' HB3' ' HB3' ' A' ' 127' ' ' MET . 16.2 tpt180 -85.56 103.12 14.12 Favored 'General case' 0 C--N 1.317 -0.845 0 N-CA-C 108.749 -0.834 . . . . 1.84 108.749 -178.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 -85.63 110.2 19.1 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.113 0.482 . . . . 0.64 111.902 -171.704 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 86.2 m-85 -106.18 127.79 53.46 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.727 -0.67 . . . . 0.6 109.963 173.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 141' ' ' LYS . . . . . 0.5 ' HD3' ' O ' ' A' ' 142' ' ' LYS . 0.0 OUTLIER -108.51 158.7 17.31 Favored 'General case' 0 C--O 1.21 -1.004 0 N-CA-C 108.062 -1.088 . . . . 1.92 108.062 178.619 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 142' ' ' LYS . . . . . 0.5 ' O ' ' HD3' ' A' ' 141' ' ' LYS . 78.3 tttt -47.41 162.29 0.07 Allowed 'General case' 0 CA--C 1.546 0.8 0 CA-C-O 121.896 0.855 . . . . 2.13 113.075 -178.443 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 3.8 mm100 . . . . . 0 C--O 1.246 0.889 0 O-C-N 121.328 -0.857 . . . . 1.46 110.263 159.042 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A 1001 ' ' OLA . . . . . 0.621 ' H22' ' HE3' ' A' ' 129' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' -11' ' ' MET . . . . . . . . . . . . . 71.9 mtm . . . . . 0 N--CA 1.48 1.042 0 CA-C-O 120.9 0.381 . . . . 14.47 110.672 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' -10' ' ' ARG . . . . . . . . . . . . . 33.0 mmt180 -112.39 83.76 1.86 Allowed 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.573 -0.528 . . . . 15.82 109.573 178.29 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' -9' ' ' GLY . . . . . . . . . . . . . . . 96.52 123.63 4.45 Favored Glycine 0 N--CA 1.445 -0.754 0 C-N-CA 120.802 -0.713 . . . . 11.88 111.93 -178.691 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' -8' ' ' SER . . . . . . . . . . . . . 4.8 p -80.48 86.04 5.84 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.089 0.471 . . . . 11.68 110.797 -179.376 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' -7' ' ' HIS . . . . . . . . . . . . . 26.7 m-70 -79.43 75.53 6.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.074 -0.512 . . . . 11.79 110.755 -179.169 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' -6' ' ' HIS . . . . . . . . . . . . . 21.8 t60 -78.61 -33.06 47.7 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.047 -0.723 . . . . 10.98 109.047 176.33 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' -5' ' ' HIS . . . . . . . . . . . . . 76.6 m80 -88.3 109.0 19.61 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.458 -0.792 . . . . 9.31 109.458 175.681 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' -4' ' ' HIS . . . . . . . . . . . . . 36.8 m80 -92.91 -59.76 1.97 Allowed 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 116.329 -0.396 . . . . 10.54 110.275 -178.628 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' -3' ' ' HIS . . . . . . . . . . . . . 8.4 p-80 -164.75 147.76 8.65 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.904 -0.589 . . . . 8.73 110.335 -178.588 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 17.5 p80 -154.85 -31.02 0.1 Allowed 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.075 -0.511 . . . . 7.06 110.46 176.176 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 68.56 -94.33 0.34 Allowed Glycine 0 N--CA 1.45 -0.382 0 N-CA-C 111.272 -0.731 . . . . 3.5 111.272 -176.888 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 22.4 m -73.85 148.91 41.93 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 108.852 -0.795 . . . . 3.11 108.852 171.819 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.627 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 39.2 mttp -85.35 101.96 13.01 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 109.312 -0.625 . . . . 2.99 109.312 178.649 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 19.3 m -57.21 142.4 43.08 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 123.536 0.522 . . . . 0.99 110.039 -176.414 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.589 HD23 ' HD2' ' A' ' 4' ' ' PRO . 0.2 OUTLIER -60.32 117.32 23.16 Favored Pre-proline 0 C--O 1.234 0.244 0 O-C-N 123.331 0.395 . . . . 0.59 111.067 -174.065 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.589 ' HD2' HD23 ' A' ' 3' ' ' LEU . 44.8 Cg_exo -56.99 122.2 11.42 Favored 'Trans proline' 0 N--CA 1.461 -0.434 0 C-N-CA 122.922 2.414 . . . . 0.61 111.291 174.159 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -55.05 -24.36 24.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.616 -0.72 . . . . 2.19 111.663 -177.335 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.15 -14.73 26.85 Favored 'General case' 0 CA--C 1.534 0.361 0 N-CA-C 112.53 0.567 . . . . 2.53 112.53 178.442 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.454 ' HZ ' ' C ' ' A' ' 98' ' ' ASN . 24.0 m-85 -96.91 -3.46 41.84 Favored 'General case' 0 C--N 1.33 -0.268 0 O-C-N 121.932 -0.48 . . . . 0.6 111.222 179.014 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.551 HD23 ' HB3' ' A' ' 45' ' ' PHE . 97.2 mt -92.86 149.84 21.0 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.285 0.564 . . . . 0.46 111.889 -170.646 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 128.0 170.35 12.81 Favored Glycine 0 N--CA 1.442 -0.919 0 CA-C-N 115.195 -0.911 . . . . 0.52 111.568 -179.137 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.454 HG22 ' HG3' ' A' ' 143' ' ' GLN . 57.0 m -101.24 123.55 45.53 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 109.347 -0.612 . . . . 1.05 109.347 175.578 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.528 ' HA ' ' HA ' ' A' ' 142' ' ' LYS . 55.6 m-85 -116.02 138.08 51.54 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.574 -0.284 . . . . 0.47 111.536 -174.095 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' ' 141' ' ' LYS . 14.6 ptmm? -84.47 -165.97 1.32 Allowed 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 109.266 -0.642 . . . . 2.19 109.266 165.491 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.5 tt -121.71 125.23 46.13 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 107.852 -1.166 . . . . 1.14 107.852 -176.27 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -92.94 -57.62 2.59 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.723 0.297 . . . . 2.08 110.753 179.109 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 23.3 ptt180 -156.41 179.37 9.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.994 0.426 . . . . 3.36 110.97 -176.358 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -138.32 172.31 13.1 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.733 -0.667 . . . . 1.19 110.05 178.691 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -153.64 118.7 5.08 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.496 -0.32 . . . . 2.66 110.979 -177.454 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 63.31 29.27 15.79 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-O 121.761 0.791 . . . . 0.76 110.775 174.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.463 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 4.6 t80 -80.88 -33.91 33.98 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.451 -0.795 . . . . 0.49 110.513 -176.35 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.51 ' O ' ' HG3' ' A' ' 24' ' ' LYS . 2.1 m-20 -53.08 -57.69 9.55 Favored 'General case' 0 CA--C 1.515 -0.367 0 N-CA-C 109.865 -0.421 . . . . 2.04 109.865 172.372 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.44 ' HA ' ' HD2' ' A' ' 24' ' ' LYS . 8.9 mp0 -51.26 -44.62 61.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.314 -0.857 . . . . 1.79 111.5 178.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.509 ' OH ' ' HG3' ' A' ' 114' ' ' GLU . 78.1 t80 -59.28 -44.56 92.46 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 116.432 -0.349 . . . . 0.57 111.079 177.007 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.463 ' HG ' ' O ' ' A' ' 19' ' ' PHE . 97.2 mt -66.85 -35.58 80.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.964 0.411 . . . . 0.37 110.008 -177.524 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.51 ' HG3' ' O ' ' A' ' 20' ' ' ASP . 94.3 mttt -61.32 -52.61 63.94 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.759 -0.655 . . . . 1.88 109.89 175.697 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.37 -36.77 69.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.169 -0.923 . . . . 0.44 111.208 177.631 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 8.9 mmm180 -67.08 -18.66 65.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.763 -0.653 . . . . 1.29 111.521 179.641 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 106.8 -1.3 36.12 Favored Glycine 0 N--CA 1.447 -0.624 0 C-N-CA 120.485 -0.864 . . . . 0.62 113.17 179.381 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 72.7 m-85 -69.85 112.12 6.06 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.243 0.544 . . . . 0.64 109.824 179.374 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -62.83 -55.65 25.63 Favored Glycine 0 C--N 1.333 0.38 0 CA-C-N 114.617 -1.174 . . . . 1.54 113.868 -172.775 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.408 ' O ' ' HG2' ' A' ' 34' ' ' GLN . 87.6 t90 -167.04 -58.22 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 117.229 0.515 . . . . 1.18 111.36 -179.203 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.413 ' HA ' HD13 ' A' ' 31' ' ' ILE . 1.0 OUTLIER -51.81 -50.71 31.5 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.155 0 O-C-N 123.319 0.387 . . . . 2.16 111.885 -178.024 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 55.4 mmm -59.03 -36.85 75.68 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.115 -0.493 . . . . 0.97 111.539 178.746 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.499 ' NH1' ' HG2' ' A' ' 24' ' ' LYS . 16.6 mtm180 -67.71 -24.63 65.41 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.008 0.432 . . . . 1.87 110.073 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.579 ' O ' HD23 ' A' ' 38' ' ' LEU . 29.8 mm-40 -77.29 -31.17 54.62 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.892 -0.594 . . . . 1.97 110.214 177.353 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.492 ' CG1' ' HG3' ' A' ' 64' ' ' LYS . 94.6 t -84.06 -63.33 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-O 120.806 0.336 . . . . 0.68 111.25 -179.364 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.589 ' HA ' ' H9 ' ' A' 1001 ' ' OLA . 88.6 mt -41.39 -46.07 0.8 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.486 0 C-N-CA 124.275 1.03 . . . . 0.51 113.656 179.672 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 43.7 mtmt -74.55 -25.85 59.58 Favored 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 112.177 0.436 . . . . 0.97 112.177 -176.642 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.579 HD23 ' O ' ' A' ' 34' ' ' GLN . 4.5 mm? -95.1 7.92 44.62 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.175 0.512 . . . . 2.08 110.754 -174.309 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -85.24 117.27 24.08 Favored 'General case' 0 N--CA 1.444 -0.77 0 CA-C-N 115.747 -0.66 . . . . 1.03 110.114 177.027 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.649 ' O ' ' HA ' ' A' ' 62' ' ' THR . . . -68.4 119.49 10.4 Favored Glycine 0 N--CA 1.445 -0.736 0 N-CA-C 110.649 -0.98 . . . . 0.84 110.649 173.7 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 51.9 t -109.18 120.51 60.64 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.761 0 CA-C-O 121.026 0.441 . . . . 1.3 111.097 -172.786 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.451 ' HB ' ' HB2' ' A' ' 61' ' ' LEU . 90.0 m -104.44 102.57 12.22 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.785 -0.643 . . . . 0.45 109.371 173.539 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 15.0 tppt? -81.06 123.15 28.14 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.895 -0.593 . . . . 0.79 109.804 -178.443 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.489 ' O ' ' HG2' ' A' ' 58' ' ' MET . 89.8 mttt -119.28 122.07 41.05 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 111.899 0.333 . . . . 1.96 111.899 -176.821 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.551 ' HB3' HD23 ' A' ' 8' ' ' LEU . 76.0 m-85 -123.02 137.5 54.93 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.005 -0.739 . . . . 0.54 109.005 168.116 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.545 ' HG3' ' HB3' ' A' ' 57' ' ' ASP . 1.0 OUTLIER -161.4 157.78 25.76 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.955 0.407 . . . . 3.17 111.042 -173.469 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 17.6 m120 -64.81 144.09 57.49 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 108.83 -0.804 . . . . 1.85 108.83 172.043 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.74 141.34 58.8 Favored 'General case' 0 CA--C 1.514 -0.412 0 CA-C-O 121.695 0.759 . . . . 0.87 110.735 -175.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.25 -28.53 68.79 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 114.377 -1.283 . . . . 1.48 111.113 -172.103 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 5.9 m -58.3 -9.14 1.37 Allowed 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 112.759 0.652 . . . . 2.37 112.759 174.58 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 68.52 29.6 72.97 Favored Glycine 0 C--N 1.334 0.419 0 C-N-CA 120.98 -0.629 . . . . 1.91 112.672 179.719 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 30.7 mtpp -106.57 145.08 30.31 Favored Pre-proline 0 C--N 1.324 -0.528 0 CA-C-O 120.801 0.334 . . . . 3.17 110.805 -177.35 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.526 ' O ' ' HB3' ' A' ' 54' ' ' ASP . 74.4 Cg_endo -73.29 147.25 41.65 Favored 'Trans proline' 0 C--O 1.237 0.437 0 C-N-CA 122.915 2.41 . . . . 1.84 111.576 179.608 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.526 ' HB3' ' O ' ' A' ' 53' ' ' PRO . 0.9 OUTLIER 78.52 -41.51 0.3 Allowed 'General case' 0 N--CA 1.467 0.423 0 O-C-N 123.871 0.732 . . . . 2.44 110.491 178.621 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.443 ' HD3' ' HB2' ' A' ' 73' ' ' ALA . 21.8 mmt180 -67.42 127.65 33.5 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-O 121.644 0.735 . . . . 4.1 111.115 171.671 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.48 ' CE1' ' HB2' ' A' ' 3' ' ' LEU . 83.1 m-85 -126.64 174.06 9.0 Favored 'General case' 0 C--N 1.31 -1.117 0 CA-C-N 114.908 -1.042 . . . . 0.97 109.901 175.572 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.659 ' OD2' ' HA ' ' A' ' 70' ' ' LYS . 16.4 t70 -133.68 146.9 51.27 Favored 'General case' 0 C--N 1.315 -0.892 0 N-CA-C 108.801 -0.814 . . . . 1.1 108.801 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.489 ' HG2' ' O ' ' A' ' 44' ' ' LYS . 1.4 tmt? -149.27 136.85 20.25 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 121.037 -0.265 . . . . 0.98 110.734 -173.335 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.457 ' HG2' ' HA ' ' A' ' 68' ' ' HIS . 47.9 mt-10 -135.74 155.16 50.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.503 0.668 . . . . 1.11 112.534 -176.862 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.574 ' HB2' ' OG1' ' A' ' 67' ' ' THR . 83.1 m-20 -127.77 98.06 5.05 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 114.571 -1.195 . . . . 1.17 109.65 176.786 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.451 ' HB2' ' HB ' ' A' ' 42' ' ' THR . 84.0 mt -96.48 132.45 42.03 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 109.964 -0.384 . . . . 1.67 109.964 177.667 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.649 ' HA ' ' O ' ' A' ' 40' ' ' GLY . 44.4 p -135.42 -154.05 0.55 Allowed 'General case' 0 N--CA 1.448 -0.536 0 CA-C-N 116.543 -0.298 . . . . 0.45 110.4 -176.445 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.406 HG23 ' H ' ' A' ' 40' ' ' GLY . 47.8 p -106.24 -32.92 7.98 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 121.414 0.626 . . . . 0.54 110.733 179.303 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.492 ' HG3' ' CG1' ' A' ' 35' ' ' VAL . 10.0 mmpt? -106.56 -11.91 15.75 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.865 -0.607 . . . . 2.24 111.327 -174.471 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.505 ' HE3' ' O ' ' A' ' 82' ' ' ALA . 4.5 tmtt? -146.2 -150.67 0.34 Allowed 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.118 0.485 . . . . 1.82 110.808 -176.686 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.483 ' H ' ' HD2' ' A' ' 65' ' ' LYS . 3.8 p30 161.58 123.42 0.0 OUTLIER 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 114.32 -1.309 . . . . 2.12 108.263 -171.285 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.574 ' OG1' ' HB2' ' A' ' 60' ' ' ASN . 49.3 p -136.48 141.07 43.47 Favored 'General case' 0 C--N 1.315 -0.92 0 N-CA-C 108.701 -0.852 . . . . 0.56 108.701 178.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.457 ' HA ' ' HG2' ' A' ' 59' ' ' GLU . 0.0 OUTLIER -138.69 91.44 2.53 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 122.064 0.935 . . . . 1.95 111.666 -169.97 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 2.9 m-70 -68.76 85.72 0.32 Allowed 'General case' 0 C--N 1.313 -0.982 0 CA-C-N 114.806 -1.088 . . . . 0.39 109.66 177.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.659 ' HA ' ' OD2' ' A' ' 57' ' ' ASP . 30.7 mtmt -79.43 118.92 21.76 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.762 0.653 . . . . 2.3 112.762 -175.493 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 9.1 t70 59.06 77.73 0.29 Allowed 'General case' 0 N--CA 1.469 0.518 0 O-C-N 123.875 0.734 . . . . 2.07 111.632 168.856 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' TRP . . . . . 0.429 ' HE1' ' N ' ' A' ' 58' ' ' MET . 66.7 p-90 -125.05 163.2 22.88 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.17 -0.468 . . . . 0.43 111.138 -178.705 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.534 ' O ' ' HB3' ' A' ' 76' ' ' GLU . . . -124.71 150.35 46.27 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.964 -0.562 . . . . 0.55 110.276 172.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.657 HD13 ' H ' ' A' ' 74' ' ' LEU . 0.0 OUTLIER -67.55 140.68 56.98 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-O 121.657 0.741 . . . . 1.71 109.788 170.524 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 84.74 2.54 88.62 Favored Glycine 0 C--N 1.312 -0.76 0 CA-C-N 115.021 -0.991 . . . . 0.59 112.09 -169.735 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.534 ' HB3' ' O ' ' A' ' 73' ' ' ALA . 43.0 tt0 -107.17 150.71 26.31 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 121.153 0.501 . . . . 2.37 111.364 -177.208 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -120.67 118.54 30.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.291 -0.868 . . . . 1.4 109.142 178.866 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 38.5 p90 -139.34 159.7 41.55 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.532 0.206 . . . . 0.57 110.763 -175.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 54.5 tt0 -92.75 152.86 19.25 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.482 -0.326 . . . . 1.95 110.393 178.669 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.418 ' HB3' ' CD1' ' A' ' 90' ' ' ILE . 25.3 t0 -166.74 175.9 7.52 Favored 'General case' 0 C--O 1.236 0.36 0 N-CA-C 109.726 -0.472 . . . . 1.26 109.726 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -80.2 128.57 33.68 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.946 -0.391 . . . . 2.13 109.946 -179.423 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.505 ' O ' ' HE3' ' A' ' 65' ' ' LYS . . . -80.56 153.92 27.78 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 116.041 -0.527 . . . . 0.95 111.428 173.839 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.514 HD22 ' H ' ' A' ' 83' ' ' LEU . 3.1 mm? -58.43 -24.81 61.19 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 122.208 1.004 . . . . 1.34 109.1 171.071 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -81.05 1.76 30.06 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 113.762 -1.563 . . . . 1.55 111.134 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 55.9 m 67.14 42.73 2.26 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 115.356 -0.838 . . . . 1.21 112.316 178.019 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 1.9 p -127.55 160.44 31.54 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.851 -0.613 . . . . 0.93 110.139 173.46 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 12.7 mm100 -91.97 81.08 5.13 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.106 -0.701 . . . . 1.88 109.106 -178.293 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' HIS . . . . . 0.482 ' HA ' HG13 ' A' ' 107' ' ' VAL . 9.6 p-80 -101.75 155.26 18.23 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.276 -0.875 . . . . 1.04 112.637 -160.567 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 20.3 ttmm -72.83 140.8 47.86 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 114.853 -1.067 . . . . 1.49 110.919 176.573 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.418 ' CD1' ' HB3' ' A' ' 80' ' ' ASP . 63.7 mt -132.66 145.65 34.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 116.139 -0.482 . . . . 0.54 110.401 177.301 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 49.1 m -135.28 129.29 33.33 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 116.356 -0.384 . . . . 0.43 109.974 170.842 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -108.51 138.53 44.66 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 108.875 -0.787 . . . . 0.6 108.875 177.214 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -161.02 145.85 13.92 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 110.015 -0.365 . . . . 1.69 110.015 -178.795 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.472 ' HB2' ' HB2' ' A' ' 1' ' ' LYS . 2.7 mm? -88.95 118.3 28.57 Favored 'General case' 0 C--N 1.317 -0.84 0 N-CA-C 109.247 -0.649 . . . . 1.12 109.247 175.683 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 52.4 tttp -92.1 -53.84 4.08 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 108.814 -0.81 . . . . 3.03 108.814 -175.601 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -123.46 163.05 36.75 Favored Pre-proline 0 C--N 1.32 -0.707 0 N-CA-C 108.201 -1.037 . . . . 1.79 108.201 173.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_exo -67.71 4.39 1.42 Allowed 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.998 2.465 . . . . 0.98 112.386 -176.271 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' ASN . . . . . 0.454 ' C ' ' HZ ' ' A' ' 7' ' ' PHE . 54.6 m-80 -142.58 24.57 1.89 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.521 -0.763 . . . . 2.32 109.975 178.828 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 55.5 m -152.33 108.31 3.37 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 121.22 0.533 . . . . 0.56 111.766 179.75 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.43 ' CD1' HD21 ' A' ' 3' ' ' LEU . 0.4 OUTLIER -82.63 151.81 26.15 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 107.884 -1.154 . . . . 1.1 107.884 171.179 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.479 HG22 ' HG2' ' A' ' 117' ' ' GLU . 19.6 p -129.51 136.17 49.52 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 118.925 0.784 . . . . 0.41 111.507 175.589 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -118.41 103.07 9.42 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.67 -0.695 . . . . 1.31 109.685 174.35 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 36.1 m -85.98 101.92 13.33 Favored 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 108.904 -0.776 . . . . 0.51 108.904 176.587 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' HIS . . . . . 0.481 ' HB2' ' CD2' ' A' ' 88' ' ' HIS . 6.5 p80 -102.92 106.35 16.88 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.696 0.76 . . . . 1.69 110.71 -175.926 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 10.9 mt -99.17 121.48 49.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 114.41 -1.268 . . . . 0.75 111.695 -174.74 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -62.56 112.74 2.61 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.02 -0.536 . . . . 1.61 110.681 171.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.482 HG13 ' HA ' ' A' ' 88' ' ' HIS . 14.6 m -63.67 -18.96 23.23 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 115.507 -0.769 . . . . 1.32 111.782 176.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -73.04 -44.77 60.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.321 0.581 . . . . 2.5 110.208 178.034 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -151.88 102.23 2.85 Favored Pre-proline 0 C--N 1.323 -0.548 0 CA-C-N 115.23 -0.896 . . . . 2.39 109.06 177.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -74.2 19.98 0.42 Allowed 'Trans proline' 0 C--N 1.33 -0.437 0 C-N-CA 123.239 2.626 . . . . 0.9 114.283 -175.059 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 62.7 p -113.46 -7.88 13.41 Favored 'General case' 0 C--N 1.328 -0.327 0 O-C-N 121.931 -0.48 . . . . 1.47 110.659 172.129 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -102.08 29.27 5.17 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 122.101 0.953 . . . . 1.59 109.306 177.829 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 17.7 m -82.44 -175.36 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 114.88 -1.054 . . . . 1.6 111.699 -172.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.509 ' HG3' ' OH ' ' A' ' 22' ' ' TYR . 0.0 OUTLIER -167.06 170.21 12.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.95 -0.568 . . . . 2.78 110.712 174.744 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 90.5 m -135.77 132.93 37.41 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.063 -0.517 . . . . 0.53 111.126 -178.714 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' TYR . . . . . 0.493 ' HB3' ' SD ' ' A' ' 127' ' ' MET . 36.5 m-85 -91.99 150.84 20.78 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 107.477 -1.305 . . . . 0.96 107.477 172.006 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 117' ' ' GLU . . . . . 0.479 ' HG2' HG22 ' A' ' 101' ' ' THR . 28.4 mt-10 -131.46 99.77 4.93 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 107.696 -1.224 . . . . 1.27 107.696 174.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 89.8 m-85 -80.57 97.62 7.26 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 116.268 -0.424 . . . . 0.6 110.682 -175.338 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' ARG . . . . . 0.518 ' HG3' ' HB ' ' A' ' 126' ' ' VAL . 2.9 ptp180 -102.95 157.94 16.63 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.967 -0.56 . . . . 3.41 110.214 177.769 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 11.6 tpt180 -108.52 114.25 27.92 Favored 'General case' 0 C--N 1.317 -0.825 0 N-CA-C 109.529 -0.545 . . . . 1.96 109.529 176.267 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -114.02 79.53 1.27 Allowed 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.34 -0.615 . . . . 1.08 109.34 179.749 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 81.56 -120.98 5.29 Favored Glycine 0 N--CA 1.444 -0.775 0 CA-C-N 115.433 -0.803 . . . . 0.92 111.661 -177.761 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 23.8 m-20 -93.45 2.34 56.51 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.845 0.355 . . . . 2.31 110.464 -179.725 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' TYR . . . . . 0.69 ' CD2' ' HB3' ' A' ' 141' ' ' LYS . 95.3 m-85 -112.88 129.86 56.31 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.204 0.526 . . . . 0.67 111.458 -175.265 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -79.57 115.53 19.25 Favored 'General case' 0 N--CA 1.442 -0.834 0 N-CA-C 106.423 -1.695 . . . . 1.03 106.423 169.874 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.518 ' HB ' ' HG3' ' A' ' 119' ' ' ARG . 86.9 t -109.52 121.61 62.8 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.047 0 C-N-CA 120.231 -0.588 . . . . 0.47 110.551 -170.126 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 127' ' ' MET . . . . . 0.493 ' SD ' ' HB3' ' A' ' 116' ' ' TYR . 44.7 tpp -76.91 122.22 24.55 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 115.16 -0.927 . . . . 1.08 109.249 175.51 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 14.7 tptm -115.88 107.96 15.68 Favored 'General case' 0 C--N 1.312 -1.037 0 N-CA-C 108.413 -0.958 . . . . 2.2 108.413 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 32.9 ttp -136.38 137.78 40.91 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 109.714 -0.476 . . . . 1.11 109.714 -176.486 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 130' ' ' SER . . . . . 0.406 ' HA ' ' O ' ' A' ' 134' ' ' VAL . 12.1 p -143.28 129.07 19.37 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.295 0.569 . . . . 1.06 111.895 -176.745 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 131' ' ' TRP . . . . . . . . . . . . . 63.4 t-105 -136.36 129.52 31.44 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.09 -0.959 . . . . 0.76 109.69 -178.871 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 24.8 mtpp 54.98 44.8 27.66 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.237 0.541 . . . . 1.96 111.782 -178.461 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 78.18 -12.18 20.06 Favored Glycine 0 N--CA 1.451 -0.309 0 CA-C-N 115.776 -0.647 . . . . 0.53 113.063 178.347 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 134' ' ' VAL . . . . . 0.406 ' O ' ' HA ' ' A' ' 130' ' ' SER . 47.0 t -88.74 107.72 18.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-O 120.861 0.362 . . . . 0.43 110.651 -178.122 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -97.18 139.28 33.39 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.027 -0.533 . . . . 1.14 111.062 178.644 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 3.9 t -131.62 133.69 45.21 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.803 -0.635 . . . . 0.4 110.114 176.896 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 69.6 m -112.06 123.85 51.14 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.865 -0.42 . . . . 0.79 109.865 175.198 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 138' ' ' ARG . . . . . 0.49 ' HB3' ' HB3' ' A' ' 127' ' ' MET . 15.7 ttp-105 -116.78 128.98 55.81 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 109.602 -0.518 . . . . 1.84 109.602 -179.13 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 53.6 m-85 -100.53 114.39 27.98 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.884 -0.598 . . . . 0.64 111.296 -167.419 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 -108.67 146.46 33.41 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.324 -0.853 . . . . 0.6 109.539 177.891 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 141' ' ' LYS . . . . . 0.69 ' HB3' ' CD2' ' A' ' 124' ' ' TYR . 0.0 OUTLIER -137.04 159.93 40.45 Favored 'General case' 0 C--N 1.31 -1.124 0 N-CA-C 107.927 -1.138 . . . . 1.92 107.927 175.862 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 142' ' ' LYS . . . . . 0.632 ' O ' ' HD3' ' A' ' 141' ' ' LYS . 13.2 tmtt? -44.8 153.35 0.18 Allowed 'General case' 0 CA--C 1.553 1.06 0 CA-C-O 121.421 0.629 . . . . 2.13 112.59 -174.903 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 143' ' ' GLN . . . . . 0.454 ' HG3' HG22 ' A' ' 10' ' ' THR . 41.8 mm-40 . . . . . 0 C--O 1.247 0.947 0 O-C-N 121.094 -1.004 . . . . 1.46 111.239 168.387 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1001 ' ' OLA . . . . . 0.731 H182 ' H41' ' A' 1001 ' ' OLA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' -11' ' ' MET . . . . . . . . . . . . . 73.2 mtm . . . . . 0 N--CA 1.482 1.128 0 CA-C-O 120.709 0.29 . . . . 14.47 111.01 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' -10' ' ' ARG . . . . . 0.419 ' HD2' ' N ' ' A' ' -10' ' ' ARG . 4.5 mpt_? -86.75 -76.43 0.36 Allowed 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 110.029 -0.36 . . . . 15.82 110.029 -179.601 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' -9' ' ' GLY . . . . . . . . . . . . . . . -91.47 -166.14 40.06 Favored Glycine 0 N--CA 1.446 -0.678 0 N-CA-C 111.329 -0.708 . . . . 11.88 111.329 176.246 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' -8' ' ' SER . . . . . . . . . . . . . 30.1 m 63.19 84.28 0.15 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.355 0.598 . . . . 11.68 110.777 -177.58 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' -7' ' ' HIS . . . . . . . . . . . . . 83.6 t60 -82.83 62.97 6.7 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.805 -0.634 . . . . 11.79 109.966 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' -6' ' ' HIS . . . . . . . . . . . . . 61.2 m-70 70.56 -58.98 0.54 Allowed 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 115.186 -0.915 . . . . 10.98 112.043 178.571 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' -5' ' ' HIS . . . . . . . . . . . . . 9.6 p80 -131.91 124.92 30.45 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.943 0.401 . . . . 9.31 111.282 -176.334 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' -4' ' ' HIS . . . . . . . . . . . . . 24.2 m80 -93.53 -64.46 1.09 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.868 -0.606 . . . . 10.54 110.456 175.17 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' -3' ' ' HIS . . . . . . . . . . . . . 7.7 p80 -115.53 5.44 14.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 8.73 110.933 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 2.7 m170 -80.18 107.07 12.68 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 108.781 -0.822 . . . . 7.06 108.781 167.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 70.69 -168.66 49.1 Favored Glycine 0 N--CA 1.443 -0.837 0 C-N-CA 120.315 -0.945 . . . . 3.5 111.065 -174.539 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 33.2 m -140.67 -165.69 1.98 Allowed 'General case' 0 C--N 1.317 -0.831 0 CA-C-O 121.037 0.446 . . . . 3.11 110.918 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 39.7 mttm -94.62 174.75 6.96 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.629 -0.714 . . . . 2.99 109.519 175.427 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 29.6 m -94.43 144.32 25.66 Favored 'General case' 0 C--N 1.308 -1.208 0 N-CA-C 108.232 -1.025 . . . . 0.99 108.232 167.689 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.541 ' HB2' ' CE1' ' A' ' 56' ' ' TYR . 2.7 mt -61.68 119.88 51.44 Favored Pre-proline 0 CA--C 1.516 -0.359 0 CA-C-O 120.712 0.291 . . . . 0.59 110.831 -177.571 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_endo -72.17 140.01 33.44 Favored 'Trans proline' 0 N--CA 1.451 -1.008 0 C-N-CA 122.074 1.849 . . . . 0.61 110.88 175.604 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.462 ' HA ' HD12 ' A' ' 8' ' ' LEU . 7.3 t70 -51.83 -25.99 8.94 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 114.915 -1.039 . . . . 2.19 112.164 -176.157 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp -44.15 -45.64 8.37 Favored 'General case' 0 CA--C 1.531 0.242 0 N-CA-C 112.415 0.524 . . . . 2.53 112.415 174.202 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.406 ' CD1' ' HG2' ' A' ' 120' ' ' ARG . 49.3 m-85 -91.8 5.91 48.09 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.811 -0.356 . . . . 0.6 111.827 -172.362 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.462 HD12 ' HA ' ' A' ' 5' ' ' ASP . 97.1 mt -101.68 135.6 42.93 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.452 0.644 . . . . 0.46 111.657 -174.235 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 139.85 174.07 13.55 Favored Glycine 0 N--CA 1.442 -0.902 0 CA-C-N 114.706 -1.133 . . . . 0.52 111.282 -177.202 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 7.1 m -110.42 132.67 53.97 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 109.616 -0.513 . . . . 1.05 109.616 177.006 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.638 ' HA ' ' HA ' ' A' ' 142' ' ' LYS . 14.6 m-85 -128.02 138.91 52.77 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 111.761 0.282 . . . . 0.47 111.761 -173.895 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' ' 141' ' ' LYS . 47.8 mtpt -77.65 -167.57 0.99 Allowed 'General case' 0 CA--C 1.532 0.279 0 CA-C-O 120.968 0.413 . . . . 2.19 109.984 168.326 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 52.7 tp -129.4 117.56 20.77 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.174 -0.676 . . . . 1.14 109.174 -176.869 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -106.52 -44.63 4.45 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 120.55 -0.46 . . . . 2.08 112.228 -173.371 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 10.5 tpt180 -142.78 154.33 44.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.239 0.543 . . . . 3.36 111.915 -173.793 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -142.06 147.36 36.67 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.492 -0.776 . . . . 1.19 109.232 173.683 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 32.1 mm-40 -138.41 126.35 22.54 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.646 -0.252 . . . . 2.66 110.94 -175.857 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 62.9 t30 70.03 23.2 5.45 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-O 121.698 0.761 . . . . 0.76 110.676 176.1 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 39.8 t80 -76.8 -39.74 50.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.46 -0.791 . . . . 0.49 111.353 -173.602 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.409 ' OD1' ' HD2' ' A' ' 33' ' ' ARG . 10.8 t0 -56.75 -51.01 70.52 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.904 0.383 . . . . 2.04 110.103 176.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 31.1 mm-40 -53.33 -42.61 66.9 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-N 115.578 -0.737 . . . . 1.79 110.855 177.784 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 89.1 t80 -60.42 -40.7 92.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.912 -0.585 . . . . 0.57 111.136 177.264 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 76.4 mt -64.71 -38.78 92.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.725 0.297 . . . . 0.37 110.497 -178.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 54.6 mttm -61.73 -47.83 83.46 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.439 0.637 . . . . 1.88 109.754 177.564 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.17 -40.44 89.96 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 114.764 -1.107 . . . . 0.44 111.418 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.432 HH11 ' HD2' ' A' ' 26' ' ' ARG . 12.0 mmm180 -70.79 -13.79 62.18 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.951 -0.568 . . . . 1.29 111.745 -179.074 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 95.79 26.26 11.97 Favored Glycine 0 N--CA 1.446 -0.679 0 C-N-CA 120.44 -0.886 . . . . 0.62 112.702 177.351 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 71.5 m-85 -96.13 122.06 38.57 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.009 0.433 . . . . 0.64 110.301 178.169 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -83.48 -168.52 43.55 Favored Glycine 0 N--CA 1.446 -0.695 0 CA-C-N 115.516 -0.766 . . . . 1.54 111.829 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.486 ' O ' ' HG2' ' A' ' 34' ' ' GLN . 66.9 t90 -53.06 -47.25 68.61 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 112.337 0.495 . . . . 1.18 112.337 -175.733 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.704 ' H ' HD12 ' A' ' 31' ' ' ILE . 3.6 mp -55.12 -60.23 1.79 Allowed 'Isoleucine or valine' 0 CA--C 1.503 -0.828 0 CA-C-O 121.416 0.627 . . . . 2.16 110.294 -174.274 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.508 ' O ' HG13 ' A' ' 36' ' ' ILE . 62.6 mmm -64.47 -32.1 73.59 Favored 'General case' 0 N--CA 1.427 -1.601 0 CA-C-N 115.157 -0.929 . . . . 0.97 110.763 -175.788 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.409 ' HD2' ' OD1' ' A' ' 20' ' ' ASP . 18.7 ttp180 -67.24 -28.94 68.47 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.908 -0.587 . . . . 1.87 110.293 -177.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.591 ' O ' HD23 ' A' ' 38' ' ' LEU . 12.5 mm100 -78.45 -25.94 46.05 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.978 -0.555 . . . . 1.97 111.119 176.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 90.7 t -85.49 -62.16 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-O 120.83 0.348 . . . . 0.68 110.79 178.112 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.517 HG23 ' H51' ' A' 1001 ' ' OLA . 56.0 mt -48.03 -44.38 11.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.234 -0.894 . . . . 0.51 113.192 -178.419 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 46.4 mtmt -74.53 -29.37 61.36 Favored 'General case' 0 N--CA 1.467 0.405 0 O-C-N 121.955 -0.466 . . . . 0.97 111.769 -178.607 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.591 HD23 ' O ' ' A' ' 34' ' ' GLN . 3.9 mm? -96.36 22.29 8.01 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.198 0.523 . . . . 2.08 110.425 -176.892 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -115.63 123.61 48.84 Favored 'General case' 0 N--CA 1.443 -0.787 0 CA-C-N 115.612 -0.722 . . . . 1.03 110.126 177.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -82.88 161.65 40.2 Favored Glycine 0 N--CA 1.444 -0.802 0 N-CA-C 110.409 -1.077 . . . . 0.84 110.409 174.062 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.983 ' HB ' HG22 ' A' ' 62' ' ' THR . 0.5 OUTLIER -153.98 139.3 10.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-O 121.34 0.591 . . . . 1.3 111.464 -176.853 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 58.9 m -113.26 122.42 47.4 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 114.997 -1.001 . . . . 0.45 110.121 -178.874 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.617 ' HE2' ' SD ' ' A' ' 127' ' ' MET . 39.1 mmtm -87.18 130.27 34.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.352 -0.386 . . . . 0.79 110.151 178.292 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.454 ' O ' ' HA ' ' A' ' 58' ' ' MET . 41.2 ttmt -131.23 101.64 5.65 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.619 0.247 . . . . 1.96 111.338 -176.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 80.8 m-85 -108.62 130.78 55.31 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 108.858 -0.793 . . . . 0.54 108.858 177.212 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.494 ' HG3' ' HB3' ' A' ' 57' ' ' ASP . 33.7 ptt180 -161.67 172.33 16.44 Favored 'General case' 0 C--N 1.318 -0.791 0 C-N-CA 120.925 -0.31 . . . . 3.17 110.864 -177.322 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 24.8 m-80 -66.55 157.99 30.89 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.363 -0.606 . . . . 1.85 109.363 171.823 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.403 ' HA ' ' HB2' ' A' ' 57' ' ' ASP . . . -59.03 161.79 4.8 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.069 0.396 . . . . 0.87 112.069 -176.443 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -41.4 -60.0 1.41 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.532 -0.758 . . . . 1.48 112.745 179.448 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 48.5 t -64.36 -39.12 93.25 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.412 0.625 . . . . 2.37 109.346 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 112.05 46.66 0.75 Allowed Glycine 0 N--CA 1.452 -0.236 0 CA-C-N 115.302 -0.863 . . . . 1.91 112.259 176.012 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 57.1 mtpt -94.26 147.57 33.58 Favored Pre-proline 0 C--N 1.321 -0.664 0 CA-C-O 120.741 0.305 . . . . 3.17 110.809 -176.494 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.401 ' C ' ' H ' ' A' ' 55' ' ' ARG . 74.2 Cg_endo -74.68 148.09 36.34 Favored 'Trans proline' 0 N--CA 1.458 -0.615 0 C-N-CA 122.45 2.1 . . . . 1.84 111.11 174.804 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 67.92 -1.81 1.62 Allowed 'General case' 0 N--CA 1.475 0.781 0 CA-C-N 116.256 -0.429 . . . . 2.44 111.155 178.156 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.401 ' H ' ' C ' ' A' ' 53' ' ' PRO . 0.1 OUTLIER -124.91 111.13 15.09 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.813 -1.181 . . . . 4.1 107.813 176.737 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.541 ' CE1' ' HB2' ' A' ' 3' ' ' LEU . 96.5 m-85 -118.15 175.99 5.43 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-O 121.418 0.627 . . . . 0.97 112.148 -170.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.494 ' HB3' ' HG3' ' A' ' 46' ' ' ARG . 13.7 t70 -128.55 130.3 47.21 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 114.816 -1.084 . . . . 1.1 108.675 -179.049 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.454 ' HA ' ' O ' ' A' ' 44' ' ' LYS . 10.6 tpt -135.49 124.39 24.09 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 120.826 0.346 . . . . 0.98 110.53 -175.84 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.553 ' HG3' ' O ' ' A' ' 67' ' ' THR . 39.5 tt0 -132.32 145.76 51.5 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 121.029 0.442 . . . . 1.11 111.424 -174.025 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.455 ' HB2' ' OG1' ' A' ' 67' ' ' THR . 47.6 m-80 -124.37 104.64 8.89 Favored 'General case' 0 CA--C 1.517 -0.314 0 CA-C-N 115.7 -0.682 . . . . 1.17 109.772 177.62 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.467 ' O ' ' HA ' ' A' ' 41' ' ' VAL . 87.3 mt -97.37 122.43 40.4 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 116.2 -0.455 . . . . 1.67 110.263 178.881 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.983 HG22 ' HB ' ' A' ' 41' ' ' VAL . 44.1 p -126.03 -163.99 1.27 Allowed 'General case' 0 N--CA 1.442 -0.841 0 N-CA-C 110.033 -0.358 . . . . 0.45 110.033 -177.528 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 72.2 p -95.85 -22.4 17.49 Favored 'General case' 0 C--N 1.314 -0.948 0 CA-C-O 121.18 0.514 . . . . 0.54 110.646 -178.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 73.7 mmtt -116.25 -15.72 11.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.778 -0.646 . . . . 2.24 111.708 -175.411 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.437 ' HB3' ' H ' ' A' ' 66' ' ' ASP . 29.5 mmmt -137.9 -156.08 0.66 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.205 0.526 . . . . 1.82 112.218 -171.35 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.437 ' H ' ' HB3' ' A' ' 65' ' ' LYS . 7.1 t70 167.46 130.29 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 114.351 -1.295 . . . . 2.12 108.47 -170.684 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.555 HG22 ' O ' ' A' ' 81' ' ' GLU . 75.2 p -144.58 140.46 28.78 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 108.967 -0.753 . . . . 0.56 108.967 -178.802 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 7.5 t-160 -136.05 93.8 2.97 Favored 'General case' 0 C--N 1.321 -0.657 0 C-N-CA 120.311 -0.556 . . . . 1.95 110.76 -176.299 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 8.7 m-70 -75.43 86.11 2.57 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 108.455 -0.942 . . . . 0.39 108.455 175.507 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -86.94 122.34 30.65 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 112.426 0.528 . . . . 2.3 112.426 -175.444 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.7 t70 59.94 72.15 0.54 Allowed 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 114.863 -1.062 . . . . 2.07 111.476 172.358 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 68.9 p-90 -119.98 152.85 36.84 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.89 -0.595 . . . . 0.43 110.535 178.119 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -118.72 155.14 31.6 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 116.37 -0.377 . . . . 0.55 110.464 177.05 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.713 HD21 HD23 ' A' ' 94' ' ' LEU . 4.2 mp -58.46 138.09 56.9 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.335 0.588 . . . . 1.71 111.288 173.066 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 77.38 7.56 87.0 Favored Glycine 0 N--CA 1.448 -0.502 0 CA-C-N 115.033 -0.985 . . . . 0.59 112.413 -176.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -100.49 148.93 24.22 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.069 0.462 . . . . 2.37 110.619 -177.33 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.511 ' HA ' ' O ' ' A' ' 90' ' ' ILE . 40.5 tt0 -123.19 114.98 21.01 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.205 -0.907 . . . . 1.4 108.817 -179.608 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 38.2 p90 -129.24 153.99 47.23 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 116.586 -0.279 . . . . 0.57 110.957 -174.558 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 28.4 tt0 -83.96 142.29 30.62 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.43 -0.581 . . . . 1.95 109.43 176.048 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.424 ' HB3' HD12 ' A' ' 90' ' ' ILE . 6.3 t70 -149.02 169.25 21.05 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.753 0.311 . . . . 1.26 110.806 -171.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.555 ' O ' HG22 ' A' ' 67' ' ' THR . 24.3 mt-10 -109.41 85.99 2.2 Favored 'General case' 0 CA--C 1.515 -0.376 0 N-CA-C 108.806 -0.813 . . . . 2.13 108.806 -179.483 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -80.33 174.85 11.19 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 113.763 1.023 . . . . 0.95 113.763 -164.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.505 HD22 ' H ' ' A' ' 83' ' ' LEU . 3.0 mm? -55.39 -33.81 63.79 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 121.537 0.684 . . . . 1.34 110.073 179.392 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.436 ' HA ' H142 ' A' 1001 ' ' OLA . 5.1 p30 -71.26 0.75 7.23 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 114.726 -1.125 . . . . 1.55 111.786 -177.605 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 37.1 m 66.81 27.25 9.2 Favored 'General case' 0 C--O 1.234 0.276 0 N-CA-C 112.421 0.526 . . . . 1.21 112.421 173.703 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.543 ' OG1' ' HD2' ' A' ' 88' ' ' HIS . 21.0 p -122.46 164.66 17.67 Favored 'General case' 0 C--O 1.24 0.596 0 C-N-CA 120.803 -0.359 . . . . 0.93 110.945 174.707 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 23.2 mm-40 -105.3 88.43 2.85 Favored 'General case' 0 CA--C 1.511 -0.522 0 N-CA-C 108.992 -0.744 . . . . 1.88 108.992 -175.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' HIS . . . . . 0.575 ' HB2' ' O ' ' A' ' 105' ' ' ILE . 21.1 p80 -132.5 175.34 9.38 Favored 'General case' 0 C--N 1.313 -1.013 0 C-N-CA 119.866 -0.734 . . . . 1.04 111.633 -168.259 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 60.3 pttt -84.23 149.7 25.94 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.751 -0.659 . . . . 1.49 110.639 -174.562 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.511 ' O ' ' HA ' ' A' ' 77' ' ' GLU . 47.5 mt -142.54 136.62 27.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.303 -0.862 . . . . 0.54 110.347 -177.375 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 28.8 m -120.37 138.75 53.57 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.462 -0.335 . . . . 0.43 110.704 176.648 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.42 ' CE1' ' HG3' ' A' ' 102' ' ' GLU . 7.3 m-85 -119.83 138.9 53.1 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.93 -0.577 . . . . 0.6 109.534 176.499 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.458 ' O ' HD12 ' A' ' 100' ' ' LEU . 8.2 p-10 -171.58 173.51 4.67 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.735 0.302 . . . . 1.69 110.384 -179.411 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.713 HD23 HD21 ' A' ' 74' ' ' LEU . 1.5 mm? -100.67 119.15 38.16 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.993 0.425 . . . . 1.12 110.093 179.802 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -88.13 -49.89 6.73 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.44 -0.8 . . . . 3.03 109.497 -176.642 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -129.68 166.59 24.86 Favored Pre-proline 0 C--N 1.32 -0.705 0 N-CA-C 108.053 -1.091 . . . . 1.79 108.053 177.056 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_exo -65.68 6.63 0.41 Allowed 'Trans proline' 0 N--CA 1.476 0.462 0 C-N-CA 123.031 2.487 . . . . 0.98 113.151 -176.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -150.98 26.49 0.72 Allowed 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.561 -0.533 . . . . 2.32 109.561 175.848 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 28.0 m -141.63 107.05 5.02 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 116.169 -0.469 . . . . 0.56 111.575 -177.822 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.485 ' HB3' ' HB2' ' A' ' 118' ' ' TYR . 18.2 tp -92.57 130.18 38.29 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.265 -0.643 . . . . 1.1 109.265 173.691 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.518 HG22 ' HG2' ' A' ' 117' ' ' GLU . 0.8 OUTLIER -110.53 137.31 48.39 Favored 'General case' 0 C--N 1.32 -0.68 0 O-C-N 121.542 -0.724 . . . . 0.41 112.587 -174.355 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.42 ' HG3' ' CE1' ' A' ' 92' ' ' PHE . 25.5 tt0 -111.08 103.93 12.42 Favored 'General case' 0 N--CA 1.454 -0.24 0 N-CA-C 108.665 -0.865 . . . . 1.31 108.665 167.584 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 54.6 m -99.15 107.42 19.77 Favored 'General case' 0 C--N 1.316 -0.858 0 N-CA-C 109.153 -0.684 . . . . 0.51 109.153 178.199 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' HIS . . . . . 0.546 ' CE1' ' HB3' ' A' ' 114' ' ' GLU . 21.1 p80 -113.55 120.95 42.74 Favored 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 120.211 -0.596 . . . . 1.69 111.257 -175.643 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.645 HG12 HG23 ' A' ' 113' ' ' VAL . 37.2 mt -113.63 125.72 70.96 Favored 'Isoleucine or valine' 0 C--O 1.238 0.462 0 CA-C-N 115.119 -0.946 . . . . 0.75 110.56 -178.618 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.531 ' HA ' ' CB ' ' A' ' 88' ' ' HIS . 97.5 mttt -62.58 121.94 14.57 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.515 -0.766 . . . . 1.61 111.191 176.013 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.525 HG13 ' HA ' ' A' ' 88' ' ' HIS . 5.3 m -58.39 -26.68 31.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 114.75 -1.114 . . . . 1.32 111.166 176.005 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -84.23 -59.13 2.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.567 -0.742 . . . . 2.5 110.504 178.563 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.497 ' O ' ' HB2' ' A' ' 106' ' ' LYS . 20.4 m-20 -120.85 92.92 48.56 Favored Pre-proline 0 C--N 1.327 -0.39 0 CA-C-N 116.133 -0.485 . . . . 2.39 110.906 -179.212 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_endo -69.13 -5.27 15.41 Favored 'Trans proline' 0 N--CA 1.463 -0.314 0 C-N-CA 123.093 2.529 . . . . 0.9 111.657 176.216 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 16.9 p -73.81 -28.38 61.6 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 115.058 -0.974 . . . . 1.47 110.141 176.822 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -104.3 54.49 0.73 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.539 0.685 . . . . 1.59 110.354 -179.405 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.645 HG23 HG12 ' A' ' 105' ' ' ILE . 8.2 p -71.19 159.08 5.9 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.004 0 CA-C-N 115.334 -0.848 . . . . 1.6 110.52 174.887 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.546 ' HB3' ' CE1' ' A' ' 104' ' ' HIS . 29.1 tt0 -154.35 149.72 27.19 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.561 -0.533 . . . . 2.78 109.561 175.458 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 84.8 m -134.56 131.14 37.56 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.236 0.541 . . . . 0.53 111.326 -177.62 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 17.0 m-85 -102.31 149.83 23.94 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 108.268 -1.012 . . . . 0.96 108.268 175.268 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' GLU . . . . . 0.518 ' HG2' HG22 ' A' ' 101' ' ' THR . 33.0 mt-10 -133.28 126.15 30.82 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.21 -1.033 . . . . 1.27 108.21 -176.749 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 118' ' ' TYR . . . . . 0.485 ' HB2' ' HB3' ' A' ' 100' ' ' LEU . 64.5 m-85 -108.1 113.21 26.19 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-O 120.733 0.302 . . . . 0.6 111.318 -173.584 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 119' ' ' ARG . . . . . 0.405 HH11 ' HD2' ' A' ' 119' ' ' ARG . 31.9 mtm180 -116.34 161.95 18.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.864 -0.607 . . . . 3.41 110.183 178.096 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 120' ' ' ARG . . . . . 0.406 ' HG2' ' CD1' ' A' ' 7' ' ' PHE . 11.7 mmm-85 -114.42 134.86 54.68 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.833 0.349 . . . . 1.96 111.16 173.816 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 121' ' ' ASP . . . . . 0.574 ' HB3' HG21 ' A' ' 126' ' ' VAL . 32.2 t70 -151.57 97.5 2.39 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.432 -0.803 . . . . 1.08 109.2 175.343 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 74.09 -144.65 33.76 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.794 -0.717 . . . . 0.92 111.47 -176.659 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -85.81 29.59 0.7 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.983 0.897 . . . . 2.31 109.749 178.467 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' TYR . . . . . 0.471 ' CZ ' ' HE3' ' A' ' 141' ' ' LYS . 20.0 m-85 -122.76 132.18 54.11 Favored 'General case' 0 CA--C 1.51 -0.568 0 CA-C-N 115.363 -0.835 . . . . 0.67 111.295 -177.265 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.516 ' HB3' ' HB2' ' A' ' 140' ' ' TYR . 3.0 tm? -82.36 103.95 12.3 Favored 'General case' 0 N--CA 1.44 -0.947 0 N-CA-C 106.422 -1.695 . . . . 1.03 106.422 164.22 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.574 HG21 ' HB3' ' A' ' 121' ' ' ASP . 92.4 t -92.21 96.43 6.25 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 CA-C-O 121.957 0.884 . . . . 0.47 109.19 -173.29 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 127' ' ' MET . . . . . 0.617 ' SD ' ' HE2' ' A' ' 43' ' ' LYS . 20.6 ttt -90.25 142.03 28.12 Favored 'General case' 0 C--N 1.305 -1.358 0 CA-C-N 114.144 -1.389 . . . . 1.08 109.428 -175.612 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 128' ' ' LYS . . . . . 0.453 ' HB3' ' HB2' ' A' ' 117' ' ' GLU . 77.6 tttt -128.45 139.73 52.2 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-O 120.922 0.391 . . . . 2.2 110.14 -175.54 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 129' ' ' MET . . . . . 0.478 ' HB2' ' CG2' ' A' ' 136' ' ' THR . 45.8 mtp -136.8 132.1 34.23 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 108.399 -0.963 . . . . 1.11 108.399 178.46 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 130' ' ' SER . . . . . 0.532 ' HA ' ' O ' ' A' ' 134' ' ' VAL . 10.3 p -138.46 127.18 23.58 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.364 0.602 . . . . 1.06 111.78 -179.415 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 131' ' ' TRP . . . . . 0.524 ' CD1' ' HG2' ' A' ' 132' ' ' LYS . 46.3 t-105 -146.76 134.49 21.14 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.153 -0.93 . . . . 0.76 109.656 177.785 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 132' ' ' LYS . . . . . 0.524 ' HG2' ' CD1' ' A' ' 131' ' ' TRP . 75.0 mmtt 54.72 41.16 32.12 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 123.717 0.636 . . . . 1.96 111.186 -175.889 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 75.84 -6.99 30.1 Favored Glycine 0 CA--C 1.519 0.291 0 CA-C-N 115.823 -0.626 . . . . 0.53 112.975 179.72 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 134' ' ' VAL . . . . . 0.532 ' O ' ' HA ' ' A' ' 130' ' ' SER . 33.4 t -85.53 105.65 14.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.861 0.331 . . . . 0.43 110.421 -179.246 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -98.51 124.3 43.17 Favored 'General case' 0 N--CA 1.443 -0.798 0 CA-C-O 121.363 0.601 . . . . 1.14 110.794 177.163 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 136' ' ' THR . . . . . 0.478 ' CG2' ' HB2' ' A' ' 129' ' ' MET . 4.6 t -115.95 137.09 52.43 Favored 'General case' 0 C--N 1.309 -1.165 0 CA-C-N 115.097 -0.956 . . . . 0.4 109.905 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 4.1 p -101.18 120.34 40.09 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.658 0.742 . . . . 0.79 110.058 177.234 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 138' ' ' ARG . . . . . 0.556 ' HB3' ' HB3' ' A' ' 127' ' ' MET . 12.8 tpt180 -104.78 96.2 6.4 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-N 114.972 -1.013 . . . . 1.84 108.675 -177.659 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 77.6 m-85 -84.95 108.12 17.41 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.394 0.616 . . . . 0.64 111.843 -172.439 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 140' ' ' TYR . . . . . 0.516 ' HB2' ' HB3' ' A' ' 125' ' ' LEU . 52.2 m-85 -96.8 128.43 43.75 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.184 -0.916 . . . . 0.6 110.451 178.201 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 141' ' ' LYS . . . . . 0.471 ' HE3' ' CZ ' ' A' ' 124' ' ' TYR . 3.1 tppp? -103.1 127.16 50.47 Favored 'General case' 0 C--O 1.208 -1.125 0 N-CA-C 107.222 -1.399 . . . . 1.92 107.222 177.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 142' ' ' LYS . . . . . 0.638 ' HA ' ' HA ' ' A' ' 11' ' ' PHE . 80.8 tttt -47.63 167.48 0.02 OUTLIER 'General case' 0 CA--C 1.548 0.877 0 N-CA-C 113.568 0.951 . . . . 2.13 113.568 -171.172 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 21.5 mm-40 . . . . . 0 C--O 1.248 0.987 0 O-C-N 121.346 -0.846 . . . . 1.46 109.988 166.14 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A 1001 ' ' OLA . . . . . 0.517 ' H51' HG23 ' A' ' 36' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' -11' ' ' MET . . . . . . . . . . . . . 14.6 tpt . . . . . 0 N--CA 1.483 1.217 0 CA-C-O 120.599 0.238 . . . . 14.47 111.397 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' -10' ' ' ARG . . . . . . . . . . . . . 11.5 tpp180 -86.23 82.92 7.85 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.321 0.581 . . . . 15.82 111.17 -175.652 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' -9' ' ' GLY . . . . . . . . . . . . . . . -119.15 49.57 0.86 Allowed Glycine 0 N--CA 1.45 -0.427 0 N-CA-C 110.877 -0.889 . . . . 11.88 110.877 176.258 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' -8' ' ' SER . . . . . . . . . . . . . 14.0 m -88.79 -20.37 24.8 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.589 -0.305 . . . . 11.68 111.649 -172.37 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' -7' ' ' HIS . . . . . . . . . . . . . 42.0 m80 -131.7 82.92 2.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.071 0.462 . . . . 11.79 111.214 -179.141 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' -6' ' ' HIS . . . . . . . . . . . . . 28.4 m170 -80.69 112.56 18.17 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.105 -0.498 . . . . 10.98 109.742 174.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' -5' ' ' HIS . . . . . . . . . . . . . 49.1 m80 -94.68 66.75 3.22 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.035 0.445 . . . . 9.31 110.91 -176.222 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' -4' ' ' HIS . . . . . . . . . . . . . 44.9 m-70 -117.91 -53.86 2.36 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.125 -0.489 . . . . 10.54 110.472 175.882 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' -3' ' ' HIS . . . . . . . . . . . . . 51.9 m80 -131.64 1.14 4.03 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.976 -0.556 . . . . 8.73 110.676 177.353 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 58.3 m170 -90.84 68.61 6.37 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.321 0.581 . . . . 7.06 109.919 176.643 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 132.17 151.35 6.78 Favored Glycine 0 N--CA 1.445 -0.713 0 N-CA-C 111.251 -0.74 . . . . 3.5 111.251 -176.551 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 14.1 m -94.02 144.28 25.61 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 120.865 0.364 . . . . 3.11 110.971 -177.707 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.443 ' O ' HD11 ' A' ' 74' ' ' LEU . 27.4 mtpp -63.29 120.76 12.19 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 108.013 -1.106 . . . . 2.99 108.013 167.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 7.1 m -67.56 131.28 45.34 Favored 'General case' 0 C--N 1.317 -0.833 0 C-N-CA 120.713 -0.395 . . . . 0.99 110.583 -174.49 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.536 ' HB2' ' CE1' ' A' ' 56' ' ' TYR . 0.6 OUTLIER -66.33 120.4 69.89 Favored Pre-proline 0 C--N 1.324 -0.521 0 CA-C-N 115.579 -0.737 . . . . 0.59 110.961 -176.048 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_exo -56.22 121.2 9.58 Favored 'Trans proline' 0 N--CA 1.458 -0.613 0 C-N-CA 122.538 2.159 . . . . 0.61 110.654 172.482 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.522 ' HA ' HD12 ' A' ' 8' ' ' LEU . 26.8 t70 -53.11 -23.01 7.0 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 115.949 -0.569 . . . . 2.19 111.453 -179.118 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.479 ' O ' ' HD3' ' A' ' 120' ' ' ARG . 0.1 OUTLIER -55.88 -24.71 38.83 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.796 -0.638 . . . . 2.53 111.872 177.74 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 28.0 m-85 -95.15 -4.36 46.22 Favored 'General case' 0 CA--C 1.519 -0.237 0 O-C-N 121.933 -0.479 . . . . 0.6 110.969 179.75 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.523 HD21 HD13 ' A' ' 3' ' ' LEU . 87.7 mt -95.83 155.76 16.62 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.987 0.423 . . . . 0.46 111.286 -170.856 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 125.28 177.58 14.96 Favored Glycine 0 N--CA 1.442 -0.912 0 CA-C-N 115.572 -0.74 . . . . 0.52 112.313 179.224 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.523 HG23 ' HG2' ' A' ' 44' ' ' LYS . 1.7 m -101.31 125.87 48.0 Favored 'General case' 0 N--CA 1.447 -0.606 0 N-CA-C 109.14 -0.689 . . . . 1.05 109.14 175.652 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 73.1 m-85 -118.53 126.96 53.12 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 113.017 0.747 . . . . 0.47 113.017 -174.015 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.547 ' HG3' ' HA ' ' A' ' 143' ' ' GLN . 48.7 mtmt -70.02 -176.74 1.18 Allowed 'General case' 0 C--N 1.352 0.702 0 CA-C-O 121.117 0.484 . . . . 2.19 110.463 167.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.2 tt -127.44 114.6 17.71 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.126 -1.064 . . . . 1.14 108.126 -178.046 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -91.3 -49.04 6.57 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.809 -0.356 . . . . 2.08 111.036 -176.73 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 11.0 ptm180 -166.32 -167.76 1.09 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.981 0.42 . . . . 3.36 111.109 -176.035 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -144.99 -174.65 4.42 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.977 -0.556 . . . . 1.19 110.281 -178.648 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -154.71 108.07 2.86 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.972 -0.558 . . . . 2.66 110.037 177.601 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 69.09 29.46 4.72 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-O 122.001 0.905 . . . . 0.76 110.577 175.154 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.434 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 36.5 t80 -71.52 -43.16 66.96 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.249 -0.887 . . . . 0.49 111.502 -173.199 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -59.24 -44.72 92.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.668 0.271 . . . . 2.04 111.197 179.784 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -62.6 -36.01 81.36 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.48 -0.327 . . . . 1.79 111.303 179.499 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 58.8 t80 -61.2 -37.79 84.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.969 0.414 . . . . 0.57 110.535 173.763 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.434 ' HG ' ' O ' ' A' ' 19' ' ' PHE . 85.1 mt -65.52 -38.76 90.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.37 110.257 -178.653 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 26.0 mtpp -62.32 -47.61 83.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.868 -0.605 . . . . 1.88 109.98 177.418 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.47 -44.75 85.1 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.36 -0.836 . . . . 0.44 111.208 179.298 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.516 ' NH2' ' HB2' ' A' ' 114' ' ' GLU . 18.0 mmm180 -67.7 -9.91 47.8 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 116.167 -0.469 . . . . 1.29 112.046 -177.671 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 101.88 5.7 50.26 Favored Glycine 0 N--CA 1.444 -0.786 0 C-N-CA 120.574 -0.822 . . . . 0.62 112.776 176.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 72.7 m-85 -80.13 121.51 25.65 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.802 0.334 . . . . 0.64 110.143 179.555 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.44 ' O ' ' HG3' ' A' ' 33' ' ' ARG . . . -79.08 -170.69 39.34 Favored Glycine 0 N--CA 1.445 -0.739 0 C-N-CA 120.95 -0.643 . . . . 1.54 111.927 178.784 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.524 ' O ' ' HG2' ' A' ' 34' ' ' GLN . 45.9 t90 -50.61 -45.48 57.57 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 122.6 0.36 . . . . 1.18 111.817 -177.897 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.769 ' H ' HD12 ' A' ' 31' ' ' ILE . 3.7 mp -54.08 -59.31 2.14 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.8 0 CA-C-O 121.455 0.645 . . . . 2.16 110.251 -175.417 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.483 ' O ' HG13 ' A' ' 36' ' ' ILE . 74.1 mmm -65.56 -36.07 82.72 Favored 'General case' 0 N--CA 1.428 -1.549 0 CA-C-N 114.818 -1.083 . . . . 0.97 111.077 -175.057 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.44 ' HG3' ' O ' ' A' ' 29' ' ' GLY . 52.7 mtm180 -61.37 -26.0 67.54 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.593 -0.276 . . . . 1.87 111.223 179.124 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.524 ' HG2' ' O ' ' A' ' 30' ' ' TRP . 30.1 mm-40 -73.45 -48.38 34.1 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.787 -0.449 . . . . 1.97 109.787 175.264 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 88.3 t -68.21 -59.65 3.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.763 -0.653 . . . . 0.68 111.536 -174.001 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.511 ' HA ' ' H9 ' ' A' 1001 ' ' OLA . 44.8 mt -48.09 -36.55 6.13 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.434 0 N-CA-C 113.379 0.881 . . . . 0.51 113.379 -178.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 47.0 mtmt -77.57 -20.34 54.21 Favored 'General case' 0 C--N 1.33 -0.277 0 O-C-N 122.062 -0.399 . . . . 0.97 111.903 -178.404 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.487 ' HG ' ' O ' ' A' ' 34' ' ' GLN . 42.4 mt -88.8 -7.67 55.77 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.991 0.425 . . . . 2.08 110.839 -179.689 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -79.39 97.86 6.52 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.013 -0.539 . . . . 1.03 111.131 -177.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -78.94 56.9 4.32 Favored Glycine 0 N--CA 1.452 -0.239 0 CA-C-N 115.907 -0.588 . . . . 0.84 112.218 178.656 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.564 ' HB ' HG22 ' A' ' 62' ' ' THR . 2.5 p -55.41 147.55 3.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 N-CA-C 113.946 1.091 . . . . 1.3 113.946 -177.264 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 86.2 m -112.11 125.67 54.35 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 114.368 -1.287 . . . . 0.45 109.581 176.728 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.609 ' HE3' ' SD ' ' A' ' 127' ' ' MET . 73.3 mmtt -87.09 136.33 32.96 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.989 -0.374 . . . . 0.79 109.989 178.547 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.523 ' HG2' HG23 ' A' ' 10' ' ' THR . 6.8 mtpm? -132.31 116.16 16.55 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.591 -0.277 . . . . 1.96 110.593 -179.795 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.509 ' HB3' HD23 ' A' ' 8' ' ' LEU . 64.6 m-85 -120.3 143.45 48.34 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 109.156 -0.683 . . . . 0.54 109.156 174.359 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.446 ' HG3' ' HB3' ' A' ' 57' ' ' ASP . 10.5 ptm180 -170.58 171.68 6.25 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.787 0.327 . . . . 3.17 111.007 -179.444 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.519 ' HA ' ' CD2' ' A' ' 56' ' ' TYR . 8.3 p30 -70.19 152.06 44.68 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.647 -0.871 . . . . 1.85 108.647 170.111 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.538 ' HA ' ' HB2' ' A' ' 57' ' ' ASP . . . -49.92 131.03 22.55 Favored 'General case' 0 CA--C 1.516 -0.363 0 CA-C-O 121.606 0.717 . . . . 0.87 111.841 -173.313 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.37 -39.2 89.79 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 113.836 -1.529 . . . . 1.48 112.425 -168.739 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 12.2 p -74.15 12.62 0.69 Allowed 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 112.234 0.457 . . . . 2.37 112.234 -179.337 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 71.3 20.34 78.1 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.66 -0.781 . . . . 1.91 111.77 -176.777 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.425 ' HB3' ' CB ' ' A' ' 48' ' ' ALA . 5.4 tppp? -72.62 118.43 67.84 Favored Pre-proline 0 N--CA 1.444 -0.738 0 N-CA-C 109.62 -0.511 . . . . 3.17 109.62 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.452 ' O ' ' HB3' ' A' ' 54' ' ' ASP . 61.3 Cg_endo -72.19 145.87 44.85 Favored 'Trans proline' 0 C--O 1.237 0.474 0 C-N-CA 122.391 2.06 . . . . 1.84 112.445 -177.518 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.452 ' HB3' ' O ' ' A' ' 53' ' ' PRO . 33.1 t70 82.34 -53.54 0.22 Allowed 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 124.286 1.035 . . . . 2.44 109.968 176.868 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.517 ' HD3' ' OD2' ' A' ' 71' ' ' ASP . 82.8 mtt-85 -67.06 149.66 50.28 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.377 -0.828 . . . . 4.1 112.54 175.014 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.536 ' CE1' ' HB2' ' A' ' 3' ' ' LEU . 66.7 m-85 -122.21 179.02 4.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.468 -0.787 . . . . 0.97 111.132 -179.176 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.547 ' OD2' ' HA ' ' A' ' 70' ' ' LYS . 18.7 t70 -135.58 139.55 43.96 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.693 -0.685 . . . . 1.1 109.489 -177.245 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.469 ' N ' ' HE1' ' A' ' 72' ' ' TRP . 1.4 tmt? -142.3 139.61 31.92 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.47 -0.567 . . . . 0.98 109.47 -178.271 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.528 ' HG3' ' O ' ' A' ' 67' ' ' THR . 38.3 tt0 -142.31 147.94 37.19 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.263 0.554 . . . . 1.11 111.854 -175.443 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.475 ' HB2' ' OG1' ' A' ' 67' ' ' THR . 41.4 m-80 -125.71 100.9 6.63 Favored 'General case' 0 CA--C 1.515 -0.402 0 CA-C-N 115.276 -0.875 . . . . 1.17 109.247 178.867 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.49 ' O ' ' HA ' ' A' ' 41' ' ' VAL . 63.8 mt -93.49 118.54 31.46 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 116.207 -0.451 . . . . 1.67 109.943 178.845 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.564 HG22 ' HB ' ' A' ' 41' ' ' VAL . 4.3 p -121.88 -164.84 1.19 Allowed 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.719 -0.474 . . . . 0.45 109.719 -175.875 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 74.0 p -100.03 -17.72 17.36 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-O 121.346 0.594 . . . . 0.54 110.602 -178.417 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.0 mmmp? -107.05 -39.95 5.59 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.878 -0.601 . . . . 2.24 111.842 -175.682 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.512 ' HD3' ' N ' ' A' ' 66' ' ' ASP . 8.4 tmtm? -158.27 135.03 9.7 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.23 -0.656 . . . . 1.82 109.23 -174.268 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.512 ' N ' ' HD3' ' A' ' 65' ' ' LYS . 22.1 m-20 -108.25 128.13 54.46 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 120.971 0.415 . . . . 2.12 110.284 -177.264 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.687 HG23 HD13 ' A' ' 83' ' ' LEU . 66.3 p -110.65 144.57 39.37 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.958 -0.564 . . . . 0.56 109.746 -179.204 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.419 ' HE2' ' CG ' ' A' ' 57' ' ' ASP . 8.0 t-160 -137.85 97.59 3.46 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.164 0.507 . . . . 1.95 109.956 -178.537 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 7.4 m-70 -75.5 84.2 2.58 Favored 'General case' 0 C--N 1.318 -0.787 0 N-CA-C 108.449 -0.945 . . . . 0.39 108.449 176.215 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.547 ' HA ' ' OD2' ' A' ' 57' ' ' ASP . 10.8 ptpt -89.81 127.08 35.91 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.872 -0.604 . . . . 2.3 111.95 -174.614 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.517 ' OD2' ' HD3' ' A' ' 55' ' ' ARG . 13.3 t70 63.84 72.96 0.45 Allowed 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 115.139 -0.937 . . . . 2.07 110.843 173.611 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' TRP . . . . . 0.469 ' HE1' ' N ' ' A' ' 58' ' ' MET . 69.8 p-90 -126.88 161.42 28.3 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.275 -0.421 . . . . 0.43 111.435 179.201 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.531 ' O ' ' HB3' ' A' ' 76' ' ' GLU . . . -126.36 148.51 49.57 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.834 -0.621 . . . . 0.55 109.738 172.721 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.627 HD13 ' H ' ' A' ' 74' ' ' LEU . 0.0 OUTLIER -65.88 144.99 56.46 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 119.398 -0.921 . . . . 1.71 109.518 170.861 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 85.55 -2.63 87.91 Favored Glycine 0 N--CA 1.441 -0.995 0 CA-C-N 115.127 -0.942 . . . . 0.59 111.784 -169.759 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.531 ' HB3' ' O ' ' A' ' 73' ' ' ALA . 43.5 tt0 -105.97 153.16 22.39 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-O 121.206 0.527 . . . . 2.37 111.466 -176.379 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -128.03 119.15 24.84 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.27 -0.877 . . . . 1.4 108.799 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 40.0 p90 -134.19 157.42 46.29 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.728 -0.215 . . . . 0.57 110.655 -173.593 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.421 ' HA ' ' HA ' ' A' ' 89' ' ' LYS . 1.5 mp0 -85.26 152.69 23.13 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.864 -0.335 . . . . 1.95 110.172 176.546 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -153.48 155.16 35.74 Favored 'General case' 0 C--O 1.245 0.836 0 CA-C-N 116.066 -0.516 . . . . 1.26 110.549 -174.584 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.581 ' O ' HG22 ' A' ' 67' ' ' THR . 13.5 pt-20 -91.11 85.13 5.81 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-O 121.921 0.867 . . . . 2.13 108.828 177.801 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.49 ' CB ' ' CE1' ' A' ' 88' ' ' HIS . . . -73.54 171.99 12.17 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 114.935 -1.03 . . . . 0.95 113.13 -168.251 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.711 HD22 ' H ' ' A' ' 83' ' ' LEU . 2.0 mm? -54.92 -30.88 59.53 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.012 -0.54 . . . . 1.34 110.581 -177.824 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -85.64 13.4 7.1 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.795 -0.639 . . . . 1.55 111.128 -174.688 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 22.8 t 63.41 47.15 4.03 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 115.411 -0.813 . . . . 1.21 111.212 172.185 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.451 ' O ' ' HA ' ' A' ' 81' ' ' GLU . 20.9 p -132.37 168.58 17.87 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.825 -0.625 . . . . 0.93 110.024 175.657 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 13.9 mm100 -105.75 56.68 0.67 Allowed 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.177 -0.675 . . . . 1.88 109.177 178.561 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' HIS . . . . . 0.528 ' CB ' ' HA ' ' A' ' 106' ' ' LYS . 4.6 p-80 -93.8 162.78 13.78 Favored 'General case' 0 C--N 1.32 -0.713 0 C-N-CA 119.622 -0.831 . . . . 1.04 111.801 -169.605 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.421 ' HA ' ' HA ' ' A' ' 79' ' ' GLN . 54.6 pttt -84.05 150.72 25.4 Favored 'General case' 0 N--CA 1.44 -0.952 0 CA-C-N 115.567 -0.742 . . . . 1.49 110.409 -172.183 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 59.2 mt -142.77 134.17 24.39 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.074 0 CA-C-N 114.951 -1.022 . . . . 0.54 110.014 -176.309 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 13.1 m -113.81 131.99 56.03 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 116.179 -0.464 . . . . 0.43 110.524 178.585 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -107.77 135.65 48.83 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 108.286 -1.005 . . . . 0.6 108.286 173.075 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -158.34 147.36 19.15 Favored 'General case' 0 C--N 1.314 -0.953 0 N-CA-C 109.599 -0.519 . . . . 1.69 109.599 -176.761 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.431 ' CD1' ' HG ' ' A' ' 100' ' ' LEU . 1.5 mp -95.24 121.68 37.15 Favored 'General case' 0 C--N 1.317 -0.815 0 C-N-CA 120.306 -0.557 . . . . 1.12 110.83 178.352 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.572 ' HG3' ' OD1' ' A' ' 96' ' ' ASP . 19.1 tptp -85.29 -47.84 9.66 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-N 115.172 -0.922 . . . . 3.03 108.865 -177.16 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.572 ' OD1' ' HG3' ' A' ' 95' ' ' LYS . 6.1 m-20 -140.74 166.12 25.05 Favored Pre-proline 0 C--N 1.321 -0.66 0 N-CA-C 107.839 -1.171 . . . . 1.79 107.839 175.026 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 15.1 Cg_exo -70.73 6.8 1.48 Allowed 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.822 2.348 . . . . 0.98 112.121 -178.542 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 -137.78 15.61 2.89 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.545 -0.752 . . . . 2.32 109.289 176.601 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 33.0 m -151.6 109.4 3.67 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-O 121.447 0.641 . . . . 0.56 111.964 179.096 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.431 ' HG ' ' CD1' ' A' ' 94' ' ' LEU . 0.6 OUTLIER -84.4 153.58 23.33 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.117 -1.068 . . . . 1.1 108.117 172.991 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 9.1 p -128.29 131.68 48.69 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 119.096 0.862 . . . . 0.41 111.099 173.731 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 68.6 tt0 -116.33 110.54 18.85 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.911 -0.586 . . . . 1.31 109.589 178.193 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 56.1 m -102.13 118.14 36.26 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.817 0.341 . . . . 0.51 111.017 -177.274 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' HIS . . . . . 0.459 ' HB2' ' HB3' ' A' ' 114' ' ' GLU . 17.2 m170 -98.88 122.89 42.71 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.951 -0.389 . . . . 1.69 109.951 176.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.429 HG23 ' HA ' ' A' ' 110' ' ' PRO . 56.5 mt -124.73 117.35 50.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-O 121.44 0.638 . . . . 0.75 111.051 172.836 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.547 ' HD2' ' HB2' ' A' ' 112' ' ' ASP . 54.0 mttm -60.19 118.41 6.33 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 114.756 -1.111 . . . . 1.61 111.048 176.633 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.523 HG22 ' HA ' ' A' ' 88' ' ' HIS . 11.9 m -65.7 -19.75 26.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.942 -0.572 . . . . 1.32 110.878 177.52 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -79.19 -42.94 24.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.707 -0.679 . . . . 2.5 110.356 176.347 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -144.12 94.58 5.78 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.082 -0.508 . . . . 2.39 109.968 179.462 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.429 ' HA ' HG23 ' A' ' 105' ' ' ILE . 56.3 Cg_endo -71.13 0.76 6.17 Favored 'Trans proline' 0 N--CA 1.462 -0.365 0 C-N-CA 123.033 2.488 . . . . 0.9 112.869 -177.661 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 29.0 p -72.44 -25.87 61.62 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.558 0.694 . . . . 1.47 109.852 173.893 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' ASP . . . . . 0.547 ' HB2' ' HD2' ' A' ' 106' ' ' LYS . 4.9 m-20 -94.48 56.28 2.09 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.056 -0.974 . . . . 1.59 111.102 -177.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.427 HG23 HG12 ' A' ' 105' ' ' ILE . 15.0 p -65.41 159.6 4.0 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.961 0 CA-C-N 115.97 -0.559 . . . . 1.6 109.786 174.403 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.516 ' HB2' ' NH2' ' A' ' 26' ' ' ARG . 41.1 tt0 -155.24 137.55 14.87 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.511 -0.551 . . . . 2.78 109.511 -176.51 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 39.1 m -130.53 121.67 26.17 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.308 0.575 . . . . 0.53 112.121 -176.765 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' TYR . . . . . 0.437 ' CE2' ' HE1' ' A' ' 104' ' ' HIS . 4.5 m-30 -102.01 155.0 18.45 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 106.715 -1.587 . . . . 0.96 106.715 168.333 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 117' ' ' GLU . . . . . 0.511 ' O ' ' HA ' ' A' ' 127' ' ' MET . 12.6 pt-20 -139.74 122.88 16.86 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 119.319 0.963 . . . . 1.27 109.046 175.287 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 118' ' ' TYR . . . . . 0.437 ' HD1' HD11 ' A' ' 125' ' ' LEU . 97.5 m-85 -98.03 111.54 23.82 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.282 0.563 . . . . 0.6 111.348 -173.103 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 18.0 ttm180 -114.17 144.7 42.75 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 115.032 -0.986 . . . . 3.41 109.767 178.715 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' ARG . . . . . 0.479 ' HD3' ' O ' ' A' ' 6' ' ' LYS . 8.6 tpt180 -102.06 101.39 11.74 Favored 'General case' 0 C--N 1.32 -0.697 0 C-N-CA 120.433 -0.507 . . . . 1.96 110.114 179.677 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -97.78 82.2 3.0 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.389 0.614 . . . . 1.08 109.625 179.23 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 71.2 -112.77 4.35 Favored Glycine 0 N--CA 1.444 -0.771 0 CA-C-N 115.121 -0.945 . . . . 0.92 112.399 179.749 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -91.47 -10.16 41.89 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.114 0.483 . . . . 2.31 110.689 -176.517 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 61.5 m-85 -107.93 135.45 49.29 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.116 0.484 . . . . 0.67 111.537 -175.311 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.437 HD11 ' HD1' ' A' ' 118' ' ' TYR . 3.1 tm? -82.64 113.5 20.38 Favored 'General case' 0 N--CA 1.443 -0.778 0 N-CA-C 107.033 -1.469 . . . . 1.03 107.033 170.45 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 88.9 t -117.66 129.08 74.65 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.009 0 N-CA-C 109.267 -0.642 . . . . 0.47 109.267 -170.648 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 127' ' ' MET . . . . . 0.609 ' SD ' ' HE3' ' A' ' 43' ' ' LYS . 26.2 ptm -128.89 150.32 50.4 Favored 'General case' 0 C--N 1.305 -1.335 0 C-N-CA 120.306 -0.558 . . . . 1.08 110.577 -175.541 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 128' ' ' LYS . . . . . 0.458 ' HA ' ' O ' ' A' ' 136' ' ' THR . 40.1 ttmt -122.78 133.95 54.44 Favored 'General case' 0 C--N 1.31 -1.135 0 CA-C-N 115.444 -0.798 . . . . 2.2 109.229 -179.107 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 25.8 mtp -126.16 121.45 32.86 Favored 'General case' 0 C--N 1.313 -0.984 0 N-CA-C 107.648 -1.241 . . . . 1.11 107.648 178.43 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 2.6 m -128.9 137.53 51.48 Favored 'General case' 0 C--N 1.321 -0.634 0 C-N-CA 120.051 -0.66 . . . . 1.06 111.813 -173.45 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 131' ' ' TRP . . . . . . . . . . . . . 44.0 t-105 -149.52 133.37 16.97 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.197 -0.911 . . . . 0.76 109.8 175.469 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 67.9 mttm 55.87 33.11 20.96 Favored 'General case' 0 C--N 1.327 -0.382 0 O-C-N 123.532 0.52 . . . . 1.96 111.143 -176.314 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 82.63 -28.21 3.57 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.967 -0.635 . . . . 0.53 112.446 -176.636 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 20.4 t -69.44 106.75 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 121.07 0.462 . . . . 0.43 109.838 -179.487 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 1.6 m -105.91 153.04 22.53 Favored 'General case' 0 N--CA 1.436 -1.148 0 CA-C-N 115.785 -0.643 . . . . 1.14 110.98 -176.206 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 136' ' ' THR . . . . . 0.458 ' O ' ' HA ' ' A' ' 128' ' ' LYS . 9.2 t -135.48 138.18 42.88 Favored 'General case' 0 C--N 1.313 -0.981 0 CA-C-N 115.456 -0.793 . . . . 0.4 110.058 174.652 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 137' ' ' SER . . . . . 0.505 ' HA ' ' O ' ' A' ' 127' ' ' MET . 14.8 m -109.95 106.89 16.6 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 121.36 0.6 . . . . 0.79 109.874 174.524 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 138' ' ' ARG . . . . . 0.425 ' HG2' ' CE2' ' A' ' 140' ' ' TYR . 6.7 tpt180 -83.3 124.91 31.07 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.356 -0.838 . . . . 1.84 108.861 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 88.4 m-85 -98.28 110.47 23.05 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-O 120.859 0.361 . . . . 0.64 111.656 -174.146 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 140' ' ' TYR . . . . . 0.575 ' HE2' ' SD ' ' A' ' 127' ' ' MET . 97.6 m-85 -111.34 143.94 41.32 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.017 -0.538 . . . . 0.6 110.499 174.802 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 141' ' ' LYS . . . . . 0.492 ' HG3' ' O ' ' A' ' 142' ' ' LYS . 17.0 ptpt -118.21 167.78 11.19 Favored 'General case' 0 C--O 1.208 -1.101 0 N-CA-C 107.261 -1.385 . . . . 1.92 107.261 172.779 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 142' ' ' LYS . . . . . 0.492 ' O ' ' HG3' ' A' ' 141' ' ' LYS . 88.2 tttt -56.82 161.64 2.78 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 119.409 1.004 . . . . 2.13 110.443 172.863 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 143' ' ' GLN . . . . . 0.547 ' HA ' ' HG3' ' A' ' 12' ' ' LYS . 5.6 mt-30 . . . . . 0 C--O 1.249 1.057 0 O-C-N 121.201 -0.937 . . . . 1.46 109.931 165.34 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1001 ' ' OLA . . . . . 0.566 H141 ' C10' ' A' 1001 ' ' OLA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' -11' ' ' MET . . . . . . . . . . . . . 49.6 tpp . . . . . 0 N--CA 1.476 0.862 0 CA-C-O 120.881 0.372 . . . . 14.47 110.46 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' -10' ' ' ARG . . . . . . . . . . . . . 16.0 ptp180 -135.06 159.06 42.72 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.097 -0.501 . . . . 15.82 110.083 178.525 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' -9' ' ' GLY . . . . . . . . . . . . . . . 75.37 17.51 80.16 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.924 -0.655 . . . . 11.88 111.756 -176.76 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' -8' ' ' SER . . . . . . . . . . . . . 4.4 p -78.79 77.67 5.26 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.308 0.575 . . . . 11.68 111.137 -177.13 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' -7' ' ' HIS . . . . . . . . . . . . . 53.3 m80 -89.25 32.18 0.86 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.003 -0.544 . . . . 11.79 110.432 178.829 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' -6' ' ' HIS . . . . . . . . . . . . . 84.9 m-70 -88.79 85.44 6.76 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.014 -0.539 . . . . 10.98 109.947 -179.423 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' -5' ' ' HIS . . . . . . . . . . . . . 89.6 m-70 -81.01 -8.98 59.89 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.196 -0.456 . . . . 9.31 110.644 -179.734 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' -4' ' ' HIS . . . . . . . . . . . . . 45.4 t60 -75.03 -14.83 60.65 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.866 -0.607 . . . . 10.54 109.471 174.43 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' -3' ' ' HIS . . . . . . . . . . . . . 18.0 t60 70.11 117.41 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 114.861 -1.063 . . . . 8.73 110.627 -178.06 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 2.0 t-160 -76.79 96.58 4.29 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.209 -0.451 . . . . 7.06 109.835 179.242 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -61.47 -39.11 96.86 Favored Glycine 0 N--CA 1.451 -0.336 0 N-CA-C 110.742 -0.943 . . . . 3.5 110.742 175.004 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 70.4 m -82.05 157.32 24.19 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.317 -0.442 . . . . 3.11 109.843 170.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 33.5 mtmm -97.41 159.31 14.99 Favored 'General case' 0 C--N 1.312 -1.037 0 N-CA-C 109.378 -0.601 . . . . 2.99 109.378 172.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -88.57 131.98 34.72 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 116.363 -0.38 . . . . 0.99 111.296 178.769 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.449 HD23 ' HA ' ' A' ' 3' ' ' LEU . 1.6 mt -60.87 125.28 82.91 Favored Pre-proline 0 C--N 1.326 -0.435 0 CA-C-N 115.881 -0.599 . . . . 0.59 111.577 178.472 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_exo -57.33 132.62 52.02 Favored 'Trans proline' 0 N--CA 1.462 -0.329 0 C-N-CA 122.523 2.149 . . . . 0.61 110.815 171.545 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.451 ' HA ' HD12 ' A' ' 8' ' ' LEU . 4.6 p-10 -61.64 -18.01 57.71 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.404 -0.362 . . . . 2.19 111.775 -174.64 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 31.6 mmtp -62.93 -26.13 68.66 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 111.594 0.22 . . . . 2.53 111.594 175.761 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 48.1 m-85 -92.44 -5.8 51.21 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.733 -0.387 . . . . 0.6 109.987 178.505 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.539 HD23 ' HB3' ' A' ' 45' ' ' PHE . 97.8 mt -98.72 155.95 17.08 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-O 121.269 0.557 . . . . 0.46 111.148 -174.827 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 119.05 172.37 15.26 Favored Glycine 0 N--CA 1.441 -0.97 0 CA-C-N 115.255 -0.884 . . . . 0.52 111.681 -179.194 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 6.9 m -98.56 124.01 43.06 Favored 'General case' 0 C--N 1.317 -0.848 0 N-CA-C 109.636 -0.505 . . . . 1.05 109.636 176.568 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 75.7 m-85 -114.06 132.9 55.86 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.252 -0.431 . . . . 0.47 111.552 -175.159 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.615 ' HG2' ' O ' ' A' ' 142' ' ' LYS . 19.9 ptpt -91.78 -161.81 0.86 Allowed 'General case' 0 CA--C 1.535 0.379 0 N-CA-C 109.69 -0.485 . . . . 2.19 109.69 169.14 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.1 tt -131.63 124.97 31.02 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 108.726 -0.842 . . . . 1.14 108.726 -172.492 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.437 ' HB2' ' HE3' ' A' ' 141' ' ' LYS . 42.9 tt0 -99.02 -51.59 3.81 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 121.07 -0.252 . . . . 2.08 111.14 -179.715 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 13.0 ptm180 -148.12 -176.59 5.34 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.928 0.394 . . . . 3.36 111.051 -177.647 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.438 ' OD2' ' HB2' ' A' ' 19' ' ' PHE . 18.1 t70 -145.14 166.11 26.35 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.866 -0.606 . . . . 1.19 109.502 -172.366 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -159.34 116.0 2.63 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 117.811 0.278 . . . . 2.66 111.544 -179.426 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.9 t30 68.69 24.4 6.77 Favored 'General case' 0 N--CA 1.476 0.834 0 CA-C-O 121.434 0.635 . . . . 0.76 112.053 170.559 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.459 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 11.9 t80 -75.76 -37.87 58.9 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.717 -0.674 . . . . 0.49 111.1 -174.342 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -58.04 -49.03 78.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.612 0.244 . . . . 2.04 110.577 179.287 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -61.67 -37.54 84.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.391 -0.368 . . . . 1.79 111.056 179.174 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 87.3 t80 -59.26 -39.15 81.97 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 120.723 -0.391 . . . . 0.57 110.416 174.108 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.459 ' HG ' ' O ' ' A' ' 19' ' ' PHE . 90.1 mt -69.39 -37.81 77.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.37 -0.377 . . . . 0.37 110.437 -178.59 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 8.2 mtpm? -63.36 -48.69 76.88 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.987 -0.551 . . . . 1.88 109.736 177.709 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.447 ' HB1' ' HB2' ' A' ' 132' ' ' LYS . . . -59.55 -39.48 84.13 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.189 -0.914 . . . . 0.44 111.116 176.87 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.545 ' HA ' ' CD1' ' A' ' 131' ' ' TRP . 15.4 mmm180 -67.01 -14.84 63.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.857 -0.611 . . . . 1.29 111.959 -179.485 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 95.65 20.3 27.13 Favored Glycine 0 N--CA 1.445 -0.711 0 C-N-CA 120.448 -0.882 . . . . 0.62 112.533 179.542 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 66.5 m-85 -90.15 125.81 35.58 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.881 0.372 . . . . 0.64 110.022 177.183 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -76.53 -172.81 35.83 Favored Glycine 0 N--CA 1.445 -0.751 0 C-N-CA 120.954 -0.641 . . . . 1.54 111.775 178.658 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.46 ' O ' ' HG2' ' A' ' 34' ' ' GLN . 64.8 t90 -53.97 -45.5 71.38 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 111.962 0.356 . . . . 1.18 111.962 -176.314 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.765 ' H ' HD12 ' A' ' 31' ' ' ILE . 3.7 mp -58.53 -56.05 18.86 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.74 0 CA-C-O 121.609 0.718 . . . . 2.16 109.941 -174.856 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -66.71 -31.29 71.85 Favored 'General case' 0 N--CA 1.43 -1.437 0 CA-C-N 114.85 -1.068 . . . . 0.97 111.032 -176.171 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.414 ' HA ' HD13 ' A' ' 23' ' ' LEU . 35.9 ttp180 -69.74 -22.2 63.39 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.058 -0.519 . . . . 1.87 110.187 178.42 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.626 ' O ' HD23 ' A' ' 38' ' ' LEU . 26.1 mm-40 -83.69 -27.77 28.79 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.768 -0.651 . . . . 1.97 110.826 175.745 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.474 HG13 ' HG3' ' A' ' 64' ' ' LYS . 57.4 t -85.39 -67.93 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-O 121.16 0.505 . . . . 0.68 110.866 -178.549 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.489 ' H ' HG13 ' A' ' 36' ' ' ILE . 28.7 mt -50.48 -38.84 16.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 114.885 -1.052 . . . . 0.51 113.089 -175.899 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 25.8 ttpp -77.45 -20.9 53.78 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-O 120.851 0.357 . . . . 0.97 111.645 -174.592 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.626 HD23 ' O ' ' A' ' 34' ' ' GLN . 3.9 mm? -104.73 -1.57 26.05 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.139 0.495 . . . . 2.08 110.409 -177.275 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -76.55 120.14 21.34 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.541 -0.754 . . . . 1.03 110.721 179.613 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.615 ' O ' ' HA ' ' A' ' 62' ' ' THR . . . -70.1 136.06 26.61 Favored Glycine 0 N--CA 1.443 -0.891 0 N-CA-C 110.462 -1.055 . . . . 0.84 110.462 174.09 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.522 HG21 ' H41' ' A' 1001 ' ' OLA . 78.4 t -122.99 126.0 73.07 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 CA-C-O 121.207 0.527 . . . . 1.3 110.858 -174.072 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 77.7 m -107.16 108.36 19.77 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.454 -0.794 . . . . 0.45 109.872 176.063 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.406 ' HZ3' ' C1 ' ' A' 1001 ' ' OLA . 13.8 tptt -87.82 118.48 27.37 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.117 -0.697 . . . . 0.79 109.117 -179.169 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.523 ' O ' ' HA ' ' A' ' 58' ' ' MET . 3.3 ttpm? -121.83 121.8 38.02 Favored 'General case' 0 C--N 1.322 -0.591 0 C-N-CA 120.126 -0.63 . . . . 1.96 111.368 -177.799 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.539 ' HB3' HD23 ' A' ' 8' ' ' LEU . 60.6 m-85 -121.97 147.24 46.3 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.609 -0.723 . . . . 0.54 109.216 174.214 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 15.9 ptp180 179.65 -178.01 0.37 Allowed 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 110.317 -0.253 . . . . 3.17 110.317 175.855 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 32.9 m-80 -63.41 154.92 30.54 Favored 'General case' 0 C--N 1.319 -0.728 0 O-C-N 123.679 0.612 . . . . 1.85 109.569 173.441 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.403 ' HA ' ' HB2' ' A' ' 57' ' ' ASP . . . -51.49 142.22 14.3 Favored 'General case' 0 CA--C 1.52 -0.174 0 CA-C-O 120.797 0.332 . . . . 0.87 111.167 -177.485 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -47.81 -58.98 3.67 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 113.726 1.01 . . . . 1.48 113.726 -170.439 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 11.1 t -65.38 -38.27 89.51 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 108.977 -0.749 . . . . 2.37 108.977 -178.041 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 123.88 23.98 1.95 Allowed Glycine 0 N--CA 1.448 -0.54 0 CA-C-N 114.963 -1.017 . . . . 1.91 112.684 173.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 63.8 mttm -71.93 129.21 88.35 Favored Pre-proline 0 C--N 1.326 -0.426 0 N-CA-C 109.847 -0.427 . . . . 3.17 109.847 178.511 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.582 ' O ' ' HB3' ' A' ' 54' ' ' ASP . 41.8 Cg_endo -66.65 150.5 83.7 Favored 'Trans proline' 0 C--O 1.234 0.297 0 C-N-CA 122.725 2.283 . . . . 1.84 112.669 -176.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.582 ' HB3' ' O ' ' A' ' 53' ' ' PRO . 9.1 t0 88.19 -60.16 0.03 OUTLIER 'General case' 0 CA--C 1.514 -0.427 0 O-C-N 124.645 1.216 . . . . 2.44 109.295 177.764 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 71.3 mtt180 -68.04 143.03 55.7 Favored 'General case' 0 C--N 1.313 -1.001 0 CA-C-O 122.011 0.91 . . . . 4.1 112.297 176.575 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 76.3 m-85 -118.97 178.91 4.32 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 114.474 -1.239 . . . . 0.97 110.073 -179.309 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.403 ' HB2' ' HA ' ' A' ' 48' ' ' ALA . 24.4 t70 -127.87 133.56 49.34 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.66 -0.7 . . . . 1.1 109.735 -177.025 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.523 ' HA ' ' O ' ' A' ' 44' ' ' LYS . 1.1 tmt? -135.86 138.14 42.18 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.156 -0.683 . . . . 0.98 109.156 178.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 59.3 tt0 -147.16 148.5 31.61 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 120.868 0.366 . . . . 1.11 111.499 -174.129 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.569 ' HB2' ' OG1' ' A' ' 67' ' ' THR . 34.7 m-80 -127.41 105.0 8.22 Favored 'General case' 0 CA--C 1.515 -0.374 0 CA-C-N 115.705 -0.68 . . . . 1.17 109.629 178.284 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 82.9 mt -100.16 123.81 44.83 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 109.881 -0.414 . . . . 1.67 109.881 176.329 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.615 ' HA ' ' O ' ' A' ' 40' ' ' GLY . 43.7 p -125.05 -153.78 0.58 Allowed 'General case' 0 N--CA 1.444 -0.76 0 CA-C-O 120.869 0.366 . . . . 0.45 110.392 -175.189 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 68.0 p -101.73 -35.26 9.14 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-N 116.156 -0.475 . . . . 0.54 110.985 -179.761 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.474 ' HG3' HG13 ' A' ' 35' ' ' VAL . 74.5 mmtt -120.06 4.94 10.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.006 -0.543 . . . . 2.24 111.562 -174.731 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.665 ' HG3' ' H ' ' A' ' 66' ' ' ASP . 29.7 tptt -146.92 -156.99 0.76 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.972 0.415 . . . . 1.82 110.662 -178.844 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.665 ' H ' ' HG3' ' A' ' 65' ' ' LYS . 3.0 t70 167.75 129.67 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.06 -0.973 . . . . 2.12 108.738 -169.257 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.569 ' OG1' ' HB2' ' A' ' 60' ' ' ASN . 23.7 p -146.88 140.63 25.84 Favored 'General case' 0 C--N 1.311 -1.081 0 N-CA-C 108.94 -0.763 . . . . 0.56 108.94 177.258 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 8.4 t-160 -140.75 96.99 3.1 Favored 'General case' 0 C--N 1.313 -1.019 0 CA-C-O 121.164 0.507 . . . . 1.95 109.945 -177.305 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 18.7 m-70 -70.69 88.33 0.7 Allowed 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.363 -0.835 . . . . 0.39 108.806 176.457 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 43.6 mttm -78.49 115.6 18.31 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.443 -0.799 . . . . 2.3 112.619 -176.854 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 61.37 76.97 0.35 Allowed 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 115.4 -0.818 . . . . 2.07 112.215 169.133 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 66.5 p-90 -122.11 145.0 48.59 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.609 -0.723 . . . . 0.43 109.897 176.546 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -101.87 146.53 27.7 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 110.102 -0.333 . . . . 0.55 110.102 176.755 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.6 tt -56.71 119.12 5.63 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.092 0.472 . . . . 1.71 110.036 174.683 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 88.86 23.98 33.95 Favored Glycine 0 N--CA 1.447 -0.579 0 CA-C-N 115.652 -0.704 . . . . 0.59 112.417 -175.117 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -119.94 131.72 55.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.383 0.611 . . . . 2.37 111.316 -178.291 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -97.71 121.92 40.18 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 114.965 -1.016 . . . . 1.4 110.182 177.126 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 38.9 p90 -133.48 157.49 45.49 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 110.026 -0.361 . . . . 0.57 110.026 -178.146 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 45.8 tt0 -90.67 151.14 21.39 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.425 -0.584 . . . . 1.95 109.425 175.58 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.512 ' HB3' HD12 ' A' ' 90' ' ' ILE . 14.9 t70 -156.79 160.83 39.6 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.581 -0.281 . . . . 1.26 110.323 -168.31 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -101.18 87.26 3.2 Favored 'General case' 0 CA--C 1.515 -0.374 0 CA-C-O 122.13 0.967 . . . . 2.13 108.745 175.41 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.426 ' HB3' ' NE2' ' A' ' 88' ' ' HIS . . . -75.99 172.28 13.02 Favored 'General case' 0 C--N 1.309 -1.163 0 CA-C-N 114.356 -1.293 . . . . 0.95 113.093 -166.904 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 12.4 mt -53.11 -34.53 57.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.817 -0.629 . . . . 1.34 111.105 -176.737 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.438 ' HA ' H141 ' A' 1001 ' ' OLA . 10.3 p-10 -78.62 20.71 0.42 Allowed 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.226 -0.897 . . . . 1.55 112.276 -174.927 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 20.4 m 65.39 28.47 11.71 Favored 'General case' 0 C--O 1.235 0.329 0 N-CA-C 112.999 0.74 . . . . 1.21 112.999 164.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 13.5 p -138.52 163.39 32.1 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 116.542 -0.299 . . . . 0.93 110.343 177.634 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 5.4 mm100 -98.43 118.75 35.81 Favored 'General case' 0 CA--C 1.507 -0.69 0 N-CA-C 107.27 -1.382 . . . . 1.88 107.27 176.592 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' HIS . . . . . 0.739 ' HB2' ' O ' ' A' ' 105' ' ' ILE . 23.9 p80 -153.88 170.63 20.54 Favored 'General case' 0 C--N 1.311 -1.079 0 C-N-CA 119.71 -0.796 . . . . 1.04 111.903 -178.567 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.463 ' H ' HG13 ' A' ' 107' ' ' VAL . 20.4 ptmt -75.5 142.77 42.82 Favored 'General case' 0 N--CA 1.446 -0.655 0 CA-C-N 115.326 -0.852 . . . . 1.49 110.861 -173.019 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.512 HD12 ' HB3' ' A' ' 80' ' ' ASP . 40.1 mt -139.81 128.91 28.01 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.775 0 CA-C-N 115.503 -0.771 . . . . 0.54 110.67 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 38.3 m -110.53 131.36 55.12 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 116.359 -0.382 . . . . 0.43 110.304 174.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -113.38 127.9 56.28 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 108.997 -0.742 . . . . 0.6 108.997 174.737 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -165.1 173.1 11.81 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 110.065 -0.346 . . . . 1.69 110.065 -177.659 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.418 HD22 ' HG ' ' A' ' 100' ' ' LEU . 2.6 mm? -108.31 120.24 41.81 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.925 -0.579 . . . . 1.12 109.685 179.403 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 56.7 tptt -86.69 -46.6 9.89 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 108.388 -0.967 . . . . 3.03 108.388 -179.588 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -133.0 163.25 52.43 Favored Pre-proline 0 C--N 1.319 -0.725 0 N-CA-C 107.745 -1.206 . . . . 1.79 107.745 172.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 16.5 Cg_exo -69.74 6.61 1.24 Allowed 'Trans proline' 0 CA--C 1.528 0.178 0 C-N-CA 122.763 2.309 . . . . 0.98 111.958 -178.822 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 62.7 t30 -134.15 17.11 3.77 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.5 -0.773 . . . . 2.32 109.481 177.475 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.47 ' HA ' ' O ' ' A' ' 118' ' ' TYR . 51.7 m -152.7 106.51 3.08 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-O 121.153 0.502 . . . . 0.56 112.094 -177.03 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.585 HD23 ' N ' ' A' ' 101' ' ' THR . 4.6 tt -88.68 135.77 33.34 Favored 'General case' 0 C--O 1.223 -0.328 0 N-CA-C 107.762 -1.199 . . . . 1.1 107.762 172.433 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.585 ' N ' HD23 ' A' ' 100' ' ' LEU . 1.4 p -116.51 133.0 56.53 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 118.563 0.619 . . . . 0.41 112.125 -177.707 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -109.67 102.31 11.15 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-N 115.559 -0.746 . . . . 1.31 109.346 171.874 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 26.7 m -92.39 102.81 15.29 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 109.435 -0.58 . . . . 0.51 109.435 178.363 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' HIS . . . . . 0.457 ' HB3' HG12 ' A' ' 90' ' ' ILE . 5.9 p80 -114.1 114.98 26.82 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.506 0.67 . . . . 1.69 111.401 -176.381 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.739 ' O ' ' HB2' ' A' ' 88' ' ' HIS . 50.0 mt -116.38 129.72 72.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 114.628 -1.169 . . . . 0.75 111.003 -176.144 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.545 ' HB2' ' O ' ' A' ' 109' ' ' ASP . 21.4 mmtm -58.63 109.25 0.76 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.026 -0.533 . . . . 1.61 110.868 173.241 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.463 HG13 ' H ' ' A' ' 89' ' ' LYS . 20.9 m -59.8 -22.19 23.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.249 -0.432 . . . . 1.32 112.048 177.151 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -95.52 -45.99 6.85 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.47 -0.332 . . . . 2.5 111.0 -177.289 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.545 ' O ' ' HB2' ' A' ' 106' ' ' LYS . 23.6 m-20 -132.3 88.82 38.82 Favored Pre-proline 0 CA--C 1.514 -0.412 0 CA-C-O 120.943 0.401 . . . . 2.39 109.993 175.118 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -69.7 19.74 0.18 Allowed 'Trans proline' 0 C--N 1.335 -0.176 0 C-N-CA 123.538 2.825 . . . . 0.9 113.139 -175.416 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' THR . . . . . 0.432 ' H ' ' C ' ' A' ' 109' ' ' ASP . 76.0 p -85.96 -30.53 22.71 Favored 'General case' 0 N--CA 1.443 -0.8 0 CA-C-N 116.086 -0.507 . . . . 1.47 110.355 174.053 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 112' ' ' ASP . . . . . 0.478 ' HB3' ' HG3' ' A' ' 106' ' ' LYS . 23.0 t70 -97.83 52.6 1.08 Allowed 'General case' 0 CA--C 1.532 0.251 0 CA-C-O 121.563 0.697 . . . . 1.59 110.878 -176.748 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.448 ' CG1' HG12 ' A' ' 105' ' ' ILE . 14.5 m -84.65 169.82 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.815 0 CA-C-N 115.999 -0.546 . . . . 1.6 111.544 178.468 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -165.68 161.14 18.0 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.363 -0.606 . . . . 2.78 109.363 172.283 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 26.1 m -131.82 116.45 17.25 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-O 120.999 0.428 . . . . 0.53 110.467 177.439 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' TYR . . . . . 0.414 ' HB3' ' HE3' ' A' ' 127' ' ' MET . 19.5 m-30 -89.15 142.87 27.27 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 107.839 -1.171 . . . . 0.96 107.839 176.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -132.1 116.59 17.22 Favored 'General case' 0 N--CA 1.448 -0.54 0 N-CA-C 108.262 -1.014 . . . . 1.27 108.262 -173.663 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' TYR . . . . . 0.514 ' HB2' ' HB3' ' A' ' 100' ' ' LEU . 68.2 m-85 -93.22 114.35 26.81 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 116.423 -0.353 . . . . 0.6 110.515 -175.805 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 42.5 ttp180 -117.88 151.81 36.65 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.232 -0.44 . . . . 3.41 110.111 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' ARG . . . . . 0.531 ' NH2' ' HA ' ' A' ' 123' ' ' ASP . 15.0 mmm180 -108.0 130.16 55.08 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.964 0.411 . . . . 1.96 110.991 178.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -130.56 109.52 10.73 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.281 -0.637 . . . . 1.08 109.281 176.17 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 71.21 -101.24 0.94 Allowed Glycine 0 N--CA 1.448 -0.546 0 N-CA-C 111.303 -0.719 . . . . 0.92 111.303 -175.224 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 123' ' ' ASP . . . . . 0.531 ' HA ' ' NH2' ' A' ' 120' ' ' ARG . 28.3 t70 -134.7 24.27 3.68 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 122.006 0.908 . . . . 2.31 109.6 174.83 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 87.9 m-85 -111.75 140.73 46.14 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.425 -0.807 . . . . 0.67 110.617 -179.672 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -83.14 111.43 18.9 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 107.855 -1.165 . . . . 1.03 107.855 171.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 59.3 t -103.08 115.93 45.93 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.986 0 N-CA-C 109.639 -0.504 . . . . 0.47 109.639 -173.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 127' ' ' MET . . . . . 0.649 ' O ' ' HA ' ' A' ' 137' ' ' SER . 8.3 tpt -82.78 123.13 29.04 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-N 115.393 -0.821 . . . . 1.08 110.375 -176.647 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 24.0 tptp -113.49 110.81 20.88 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 109.508 -0.553 . . . . 2.2 109.508 -177.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 48.1 mtp -131.13 148.6 52.74 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 108.711 -0.848 . . . . 1.11 108.711 -179.067 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 2.2 p -160.12 127.2 4.45 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.85 0.357 . . . . 1.06 111.631 -176.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 131' ' ' TRP . . . . . 0.545 ' CD1' ' HA ' ' A' ' 26' ' ' ARG . 57.5 t-105 -141.07 134.76 30.21 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.957 -0.565 . . . . 0.76 109.796 -179.443 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 132' ' ' LYS . . . . . 0.52 ' HD3' ' CD1' ' A' ' 131' ' ' TRP . 6.1 mptp? 52.45 38.26 24.94 Favored 'General case' 0 N--CA 1.462 0.149 0 O-C-N 123.561 0.538 . . . . 1.96 111.239 -174.411 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 79.71 -10.84 36.45 Favored Glycine 0 CA--C 1.521 0.462 0 C-N-CA 121.069 -0.586 . . . . 0.53 113.683 179.041 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 43.9 t -87.72 105.68 15.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 117.1 0.45 . . . . 0.43 110.162 -179.702 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 1.5 m -92.73 151.43 20.06 Favored 'General case' 0 N--CA 1.437 -1.125 0 CA-C-O 121.185 0.517 . . . . 1.14 111.141 -179.59 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 5.0 t -139.47 150.07 44.74 Favored 'General case' 0 C--N 1.313 -1.019 0 CA-C-N 115.157 -0.929 . . . . 0.4 109.389 176.157 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 137' ' ' SER . . . . . 0.649 ' HA ' ' O ' ' A' ' 127' ' ' MET . 19.5 m -136.98 95.67 3.16 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.972 0.415 . . . . 0.79 110.384 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 138' ' ' ARG . . . . . 0.41 ' HD2' ' CE1' ' A' ' 19' ' ' PHE . 33.8 mtp180 -79.3 136.95 37.17 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.962 -0.755 . . . . 1.84 108.962 177.696 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 84.3 m-85 -100.56 106.53 18.05 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 121.36 0.6 . . . . 0.64 111.308 -175.488 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 87.5 m-85 -103.36 135.54 44.79 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 114.902 -1.044 . . . . 0.6 109.871 179.728 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 141' ' ' LYS . . . . . 0.534 ' HG3' ' O ' ' A' ' 142' ' ' LYS . 17.6 ptpt -113.09 168.5 9.65 Favored 'General case' 0 C--N 1.311 -1.069 0 N-CA-C 107.893 -1.151 . . . . 1.92 107.893 175.869 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 142' ' ' LYS . . . . . 0.615 ' O ' ' HG2' ' A' ' 12' ' ' LYS . 45.5 tttp -54.9 165.95 0.57 Allowed 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 118.441 0.564 . . . . 2.13 110.383 170.634 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 143' ' ' GLN . . . . . 0.546 ' NE2' ' HB3' ' A' ' 12' ' ' LYS . 52.8 mm-40 . . . . . 0 C--O 1.249 1.035 0 O-C-N 121.121 -0.987 . . . . 1.46 110.968 167.198 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1001 ' ' OLA . . . . . 0.522 ' H41' HG21 ' A' ' 41' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' -11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.481 1.106 0 CA-C-O 120.519 0.2 . . . . 14.47 111.388 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' -10' ' ' ARG . . . . . . . . . . . . . 81.7 mtp180 -77.59 -51.97 9.79 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.966 0.412 . . . . 15.82 110.507 -179.338 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' -9' ' ' GLY . . . . . . . . . . . . . . . -87.03 103.05 2.83 Favored Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 120.724 -0.75 . . . . 11.88 111.503 176.188 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' -8' ' ' SER . . . . . . . . . . . . . 29.3 m -62.96 132.55 52.42 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.882 0.373 . . . . 11.68 110.639 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' -7' ' ' HIS . . . . . . . . . . . . . 36.8 m170 -63.59 -30.92 71.97 Favored 'General case' 0 CA--C 1.519 -0.229 0 CA-C-N 115.928 -0.578 . . . . 11.79 110.21 178.744 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' -6' ' ' HIS . . . . . . . . . . . . . 9.8 t-160 -86.62 97.75 10.72 Favored 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 108.154 -1.054 . . . . 10.98 108.154 169.307 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' -5' ' ' HIS . . . . . 0.428 ' HB3' ' HB2' ' A' ' -2' ' ' HIS . 97.5 m-70 -64.96 97.24 0.22 Allowed 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.402 -0.817 . . . . 9.31 112.437 -169.663 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' -4' ' ' HIS . . . . . . . . . . . . . 32.6 m80 -79.72 -36.18 37.81 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 108.412 -0.958 . . . . 10.54 108.412 172.783 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' -3' ' ' HIS . . . . . . . . . . . . . 23.3 p80 -140.41 122.03 15.24 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 114.537 -1.21 . . . . 8.73 108.877 174.53 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' -2' ' ' HIS . . . . . 0.428 ' HB2' ' HB3' ' A' ' -5' ' ' HIS . 11.6 t-160 -137.77 62.7 1.57 Allowed 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.679 0.752 . . . . 7.06 110.075 -177.629 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 88.43 -68.46 2.91 Favored Glycine 0 N--CA 1.445 -0.725 0 CA-C-N 115.311 -0.859 . . . . 3.5 111.771 -179.421 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 12.3 m -94.76 126.06 39.83 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 120.921 0.391 . . . . 3.11 110.124 178.19 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.805 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 68.4 mttm -83.25 119.97 25.23 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.04 -0.527 . . . . 2.99 109.952 177.441 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 19.0 m -63.42 143.04 58.15 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 110.046 -0.353 . . . . 0.99 110.046 -176.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.644 HD23 ' HD2' ' A' ' 4' ' ' PRO . 0.1 OUTLIER -60.13 117.09 20.64 Favored Pre-proline 0 C--O 1.235 0.328 0 CA-C-N 116.178 -0.464 . . . . 0.59 111.348 -172.863 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.644 ' HD2' HD23 ' A' ' 3' ' ' LEU . 31.9 Cg_exo -57.82 128.89 30.82 Favored 'Trans proline' 0 N--CA 1.461 -0.419 0 C-N-CA 122.989 2.459 . . . . 0.61 111.419 173.598 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -54.76 -25.95 31.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.705 -0.68 . . . . 2.19 111.899 -179.341 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 57.6 mtpt -59.0 -19.85 47.45 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.408 0.522 . . . . 2.53 112.408 178.362 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.5 ' CE1' ' HG2' ' A' ' 120' ' ' ARG . 48.9 m-85 -96.09 5.75 50.41 Favored 'General case' 0 C--N 1.327 -0.4 0 O-C-N 122.165 -0.334 . . . . 0.6 111.43 179.87 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.522 HD23 ' HB3' ' A' ' 45' ' ' PHE . 97.2 mt -99.8 143.28 30.2 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.076 0.465 . . . . 0.46 111.752 -174.661 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 131.6 -179.74 16.84 Favored Glycine 0 N--CA 1.449 -0.481 0 CA-C-N 115.538 -0.755 . . . . 0.52 112.552 179.754 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.513 HG22 ' HG3' ' A' ' 143' ' ' GLN . 96.4 m -105.94 122.62 46.5 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.803 0.335 . . . . 1.05 110.171 177.637 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.42 ' HA ' ' HA ' ' A' ' 142' ' ' LYS . 77.7 m-85 -119.19 134.11 55.39 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.124 -0.489 . . . . 0.47 110.842 -176.396 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.486 ' HB3' ' CD ' ' A' ' 143' ' ' GLN . 0.0 OUTLIER -97.16 133.67 41.49 Favored 'General case' 0 C--O 1.234 0.282 0 C-N-CA 120.019 -0.673 . . . . 2.19 111.037 174.096 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 52.0 tp -59.72 129.15 40.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.753 -0.658 . . . . 1.14 110.904 174.429 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -104.58 -50.81 3.22 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.215 -0.448 . . . . 2.08 110.543 177.273 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 16.2 ptp180 -154.77 -179.03 7.63 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.547 -0.297 . . . . 3.36 110.552 -173.65 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.413 ' HA ' ' HA ' ' A' ' 138' ' ' ARG . 3.2 p30 -148.63 176.77 10.06 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.503 -0.317 . . . . 1.19 110.714 178.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -148.44 113.92 5.62 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.116 -0.493 . . . . 2.66 110.401 -178.761 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 44.9 t30 72.08 24.64 3.15 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-O 121.551 0.691 . . . . 0.76 111.263 175.293 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.484 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 14.0 t80 -73.61 -37.67 65.34 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.625 -0.716 . . . . 0.49 110.374 -175.08 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -52.09 -57.51 9.35 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.183 -0.462 . . . . 2.04 111.336 175.524 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 43.7 mm-40 -52.55 -42.41 64.4 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 115.769 -0.651 . . . . 1.79 110.897 177.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 89.5 t80 -58.65 -40.86 84.63 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 116.304 -0.407 . . . . 0.57 111.237 177.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.484 ' HG ' ' O ' ' A' ' 19' ' ' PHE . 96.5 mt -62.58 -44.11 97.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.038 0.447 . . . . 0.37 110.802 -178.464 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 55.9 mtmt -67.07 -40.47 87.06 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.86 -0.609 . . . . 1.88 110.674 179.718 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.5 -40.08 95.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.758 -0.655 . . . . 0.44 111.177 178.192 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 13.2 mmm180 -73.9 -7.11 51.04 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.824 -0.625 . . . . 1.29 111.556 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 94.58 11.1 57.36 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.536 -0.84 . . . . 0.62 112.895 174.298 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 74.6 m-85 -73.93 124.22 25.76 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-O 120.834 0.35 . . . . 0.64 110.099 179.06 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.515 ' O ' ' HG3' ' A' ' 33' ' ' ARG . . . -81.08 -177.13 51.45 Favored Glycine 0 N--CA 1.447 -0.6 0 N-CA-C 111.338 -0.705 . . . . 1.54 111.338 177.327 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 42.0 t90 -48.29 -46.08 35.64 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 111.727 0.269 . . . . 1.18 111.727 -177.212 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.817 ' H ' HD12 ' A' ' 31' ' ' ILE . 3.6 mp -51.8 -58.6 2.08 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.971 0 O-C-N 123.705 0.628 . . . . 2.16 110.087 -173.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 55.0 mmm -69.45 -39.71 77.59 Favored 'General case' 0 N--CA 1.422 -1.833 0 CA-C-N 115.179 -0.919 . . . . 0.97 111.058 -175.199 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.515 ' HG3' ' O ' ' A' ' 29' ' ' GLY . 44.9 mtm-85 -57.48 -42.32 82.39 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 120.919 -0.312 . . . . 1.87 111.324 -177.809 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.565 ' HG3' ' O ' ' A' ' 31' ' ' ILE . 1.7 pp0? -73.9 -35.3 64.64 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.632 -0.427 . . . . 1.97 110.721 -177.679 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.413 ' CG1' ' HG3' ' A' ' 64' ' ' LYS . 69.2 t -71.39 -51.19 35.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 121.154 0.502 . . . . 0.68 110.567 178.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.601 ' HA ' ' H9 ' ' A' 1001 ' ' OLA . 96.0 mt -52.78 -39.98 33.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.012 -0.995 . . . . 0.51 112.589 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.427 ' HG3' ' O ' ' A' ' 33' ' ' ARG . 61.5 mttm -63.22 -36.87 85.1 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 121.064 0.459 . . . . 0.97 111.45 178.228 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 46.2 mt -86.77 -5.12 59.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.07 -0.514 . . . . 2.08 111.57 -173.789 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -82.33 111.78 18.7 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.403 -0.362 . . . . 1.03 111.325 -177.212 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.453 ' O ' ' HA ' ' A' ' 62' ' ' THR . . . -69.29 137.1 28.99 Favored Glycine 0 N--CA 1.449 -0.443 0 N-CA-C 110.544 -1.022 . . . . 0.84 110.544 172.069 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 28.3 t -121.64 127.94 75.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-O 121.247 0.546 . . . . 1.3 112.003 -171.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 22.5 m -117.53 119.54 35.35 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.554 -0.748 . . . . 0.45 110.209 173.803 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.468 ' HZ3' ' ND2' ' A' ' 60' ' ' ASN . 69.5 mmtt -97.38 135.56 39.1 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.862 -0.421 . . . . 0.79 109.862 178.746 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.56 ' O ' ' HA ' ' A' ' 58' ' ' MET . 27.9 mtpp -133.18 131.78 40.8 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.708 0.289 . . . . 1.96 111.447 -178.13 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.566 ' CE2' ' HG3' ' A' ' 58' ' ' MET . 53.2 m-85 -129.51 142.95 50.66 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.718 -0.674 . . . . 0.54 109.382 172.536 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 12.7 ptm180 -162.47 166.53 24.81 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 120.795 0.331 . . . . 3.17 110.497 173.866 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -69.75 136.35 50.83 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 108.15 -1.055 . . . . 1.85 108.15 172.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.713 ' HB3' ' CG ' ' A' ' 55' ' ' ARG . . . -73.53 175.09 7.37 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.116 0.484 . . . . 0.87 111.598 -174.871 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -128.84 -15.6 4.32 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.62 -0.718 . . . . 1.48 111.108 -174.364 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 22.9 t -49.91 -22.34 1.49 Allowed 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 115.33 -0.85 . . . . 2.37 111.575 174.901 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 94.32 9.3 59.28 Favored Glycine 0 CA--C 1.52 0.39 0 C-N-CA 120.632 -0.794 . . . . 1.91 114.406 171.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.69 ' O ' ' HB3' ' A' ' 55' ' ' ARG . 4.1 mppt? -104.17 104.03 41.64 Favored Pre-proline 0 C--O 1.214 -0.789 0 CA-C-N 117.858 0.829 . . . . 3.17 110.107 177.811 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.408 ' C ' ' H ' ' A' ' 55' ' ' ARG . 9.6 Cg_endo -49.82 151.14 8.5 Favored 'Trans proline' 0 N--CA 1.474 0.352 0 C-N-CA 123.242 2.628 . . . . 1.84 113.256 -168.106 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 14.3 t70 84.77 -21.9 0.23 Allowed 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 124.52 1.128 . . . . 2.44 108.954 -174.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.713 ' CG ' ' HB3' ' A' ' 48' ' ' ALA . 24.6 ptt-85 -42.41 133.97 3.12 Favored 'General case' 0 C--O 1.239 0.508 0 CA-C-N 114.567 -1.197 . . . . 4.1 113.368 169.222 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 76.5 m-85 -139.23 159.05 43.06 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 109.161 -0.681 . . . . 0.97 109.161 166.544 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -117.02 134.14 55.12 Favored 'General case' 0 C--N 1.317 -0.844 0 N-CA-C 108.604 -0.888 . . . . 1.1 108.604 179.363 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.566 ' HG3' ' CE2' ' A' ' 45' ' ' PHE . 1.8 tmt? -143.21 140.49 30.74 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.917 0.389 . . . . 0.98 110.346 -176.412 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -130.82 141.21 50.33 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.069 0.461 . . . . 1.11 111.697 -177.699 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.468 ' ND2' ' HZ3' ' A' ' 43' ' ' LYS . 0.7 OUTLIER -112.91 85.51 2.19 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 107.037 -1.468 . . . . 1.17 107.037 173.076 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 85.9 mt -89.14 135.35 33.61 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 120.783 0.325 . . . . 1.67 110.958 -173.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.453 ' HA ' ' O ' ' A' ' 40' ' ' GLY . 18.5 p -136.66 -158.03 0.83 Allowed 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.194 -0.669 . . . . 0.45 109.194 -179.24 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 64.5 p -102.33 -17.65 15.79 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-O 121.017 0.437 . . . . 0.54 111.448 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.413 ' HG3' ' CG1' ' A' ' 35' ' ' VAL . 48.1 mmtm -112.57 -55.32 2.53 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.93 0.395 . . . . 2.24 111.187 -175.758 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 16.2 tppt? -127.02 126.16 42.66 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 116.107 -0.497 . . . . 1.82 110.296 -178.674 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -111.53 150.55 29.82 Favored 'General case' 0 C--N 1.318 -0.761 0 N-CA-C 108.888 -0.782 . . . . 2.12 108.888 179.297 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.513 HG23 HD13 ' A' ' 83' ' ' LEU . 34.3 p -124.94 152.68 43.8 Favored 'General case' 0 C--N 1.317 -0.847 0 N-CA-C 110.221 -0.288 . . . . 0.56 110.221 179.444 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 21.1 t-160 -136.76 83.13 1.98 Allowed 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.044 0.45 . . . . 1.95 110.097 -178.775 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.512 ' HD2' ' SD ' ' A' ' 58' ' ' MET . 27.4 m-70 -73.71 88.16 1.72 Allowed 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 108.953 -0.758 . . . . 0.39 108.953 177.445 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 8.8 ptpt -89.68 135.17 33.77 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 112.455 0.539 . . . . 2.3 112.455 -178.18 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 46.67 61.33 2.85 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 114.038 -1.437 . . . . 2.07 112.809 174.085 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 55.2 p-90 -100.1 149.35 23.59 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.118 -0.946 . . . . 0.43 109.231 172.465 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.563 ' O ' ' HB2' ' A' ' 76' ' ' GLU . . . -116.93 154.02 31.57 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 116.383 -0.371 . . . . 0.55 110.084 179.193 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.805 ' HG ' ' O ' ' A' ' 1' ' ' LYS . 3.8 mm? -59.22 128.29 36.42 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.099 0.476 . . . . 1.71 111.175 174.292 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 86.19 6.68 81.24 Favored Glycine 0 N--CA 1.447 -0.624 0 CA-C-N 115.486 -0.779 . . . . 0.59 111.794 -178.551 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.563 ' HB2' ' O ' ' A' ' 73' ' ' ALA . 9.8 mm-40 -103.18 150.56 23.56 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.513 0.673 . . . . 2.37 111.648 -178.25 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.503 ' HA ' ' O ' ' A' ' 90' ' ' ILE . 28.8 tt0 -130.72 118.33 20.73 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 114.648 -1.16 . . . . 1.4 108.734 -177.078 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 48.0 p90 -128.88 151.88 49.14 Favored 'General case' 0 C--N 1.317 -0.818 0 N-CA-C 110.24 -0.282 . . . . 0.57 110.24 -176.613 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.452 ' HA ' ' O ' ' A' ' 88' ' ' HIS . 1.8 mp0 -84.85 147.73 26.65 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 108.893 -0.781 . . . . 1.95 108.893 174.794 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.403 ' HB3' HD12 ' A' ' 90' ' ' ILE . 26.4 t0 -164.92 165.69 20.12 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.47 -0.332 . . . . 1.26 110.27 -171.163 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.476 ' O ' HG22 ' A' ' 67' ' ' THR . 34.1 tt0 -101.63 97.36 7.79 Favored 'General case' 0 CA--C 1.514 -0.431 0 N-CA-C 108.832 -0.803 . . . . 2.13 108.832 178.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -84.15 176.59 8.68 Favored 'General case' 0 C--N 1.314 -0.967 0 CA-C-N 114.992 -1.004 . . . . 0.95 112.899 -171.185 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.682 HD22 ' H ' ' A' ' 83' ' ' LEU . 2.4 mm? -54.75 -38.79 67.6 Favored 'General case' 0 CA--C 1.515 -0.389 0 CA-C-O 121.454 0.645 . . . . 1.34 109.641 179.323 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.63 ' HA ' H142 ' A' 1001 ' ' OLA . 6.4 p-10 -74.93 8.85 2.21 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 114.887 -1.051 . . . . 1.55 111.033 -173.85 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 7.4 m 64.45 38.01 7.84 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 115.221 -0.9 . . . . 1.21 111.895 169.284 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 25.0 p -122.93 161.43 24.2 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.964 -0.562 . . . . 0.93 110.642 174.858 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 59.4 mm-40 -106.53 79.94 1.42 Allowed 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 107.92 -1.141 . . . . 1.88 107.92 176.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' HIS . . . . . 0.564 ' HB2' ' HA ' ' A' ' 106' ' ' LYS . 10.0 p-80 -124.81 173.68 8.43 Favored 'General case' 0 C--N 1.313 -1.012 0 C-N-CA 119.971 -0.692 . . . . 1.04 111.241 -164.473 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.514 ' O ' ' HD2' ' A' ' 88' ' ' HIS . 62.7 pttt -85.73 136.21 33.44 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-O 121.442 0.639 . . . . 1.49 110.356 -178.388 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.503 ' O ' ' HA ' ' A' ' 77' ' ' GLU . 7.6 mt -131.4 127.07 59.45 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.848 0 CA-C-N 115.498 -0.774 . . . . 0.54 110.72 -171.494 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 15.8 m -117.37 141.83 47.84 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 120.895 0.379 . . . . 0.43 111.235 -178.101 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 37.3 m-85 -117.81 133.01 56.36 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.595 -0.73 . . . . 0.6 109.109 174.569 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -153.97 142.45 20.71 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.9 0.381 . . . . 1.69 110.801 -175.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.506 HD23 HD11 ' A' ' 74' ' ' LEU . 0.4 OUTLIER -87.61 114.83 24.59 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 108.978 -0.749 . . . . 1.12 108.978 177.016 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 59.7 tttp -86.46 -42.04 13.92 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.14 -0.689 . . . . 3.03 109.14 -175.122 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -155.41 164.79 20.0 Favored Pre-proline 0 C--N 1.319 -0.718 0 N-CA-C 106.935 -1.506 . . . . 1.79 106.935 172.238 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_exo -58.79 0.32 0.43 Allowed 'Trans proline' 0 N--CA 1.48 0.696 0 C-N-CA 123.309 2.673 . . . . 0.98 114.762 -172.756 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' ASN . . . . . 0.446 ' O ' ' HA ' ' A' ' 119' ' ' ARG . 7.4 t30 -135.31 18.97 3.38 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.043 0.449 . . . . 2.32 109.996 177.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 25.6 m -145.08 107.01 4.28 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-O 121.182 0.515 . . . . 0.56 111.839 179.347 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.498 HD12 HD21 ' A' ' 3' ' ' LEU . 0.8 OUTLIER -93.38 136.95 33.16 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.696 -1.224 . . . . 1.1 107.696 170.852 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 17.5 p -112.71 128.86 56.52 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 119.117 0.871 . . . . 0.41 111.452 179.828 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 69.5 tt0 -111.33 102.57 10.96 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.325 -0.852 . . . . 1.31 109.12 175.021 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 25.0 m -98.19 114.76 27.1 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.105 0.479 . . . . 0.51 111.033 -174.813 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 39.5 m170 -96.1 100.52 12.16 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.913 -0.585 . . . . 1.69 110.179 176.848 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.47 ' O ' ' HB2' ' A' ' 88' ' ' HIS . 17.9 mt -104.81 113.48 41.95 Favored 'Isoleucine or valine' 0 C--O 1.238 0.455 0 CA-C-O 121.177 0.513 . . . . 0.75 111.164 176.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.564 ' HA ' ' HB2' ' A' ' 88' ' ' HIS . 42.2 mtmt -63.63 117.31 6.63 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.369 -0.832 . . . . 1.61 111.134 179.361 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 11.4 m -57.63 -26.64 27.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.266 -0.879 . . . . 1.32 111.036 175.823 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -76.65 -51.9 10.67 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.498 -0.773 . . . . 2.5 110.771 179.762 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -138.85 91.93 11.46 Favored Pre-proline 0 CA--C 1.515 -0.371 0 CA-C-O 121.307 0.575 . . . . 2.39 110.081 -179.695 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 68.2 Cg_endo -73.73 8.92 1.76 Allowed 'Trans proline' 0 N--CA 1.464 -0.244 0 C-N-CA 123.566 2.844 . . . . 0.9 113.204 -176.08 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 41.7 p -92.29 -23.25 19.35 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.5 0.667 . . . . 1.47 110.185 175.153 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' ASP . . . . . 0.467 ' HB3' ' HE2' ' A' ' 106' ' ' LYS . 37.0 t70 -108.27 46.88 0.93 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.282 -0.872 . . . . 1.59 109.838 -175.688 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.431 HG12 ' HA ' ' A' ' 105' ' ' ILE . 14.5 m -70.29 -179.04 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.171 -0.922 . . . . 1.6 112.049 179.674 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -153.82 143.48 21.75 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.582 -0.736 . . . . 2.78 109.391 176.28 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 23.8 m -143.09 140.52 30.93 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.138 0.494 . . . . 0.53 111.478 -176.722 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -118.68 162.51 18.29 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 107.381 -1.34 . . . . 0.96 107.381 174.195 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' GLU . . . . . 0.518 ' HB2' ' HB3' ' A' ' 128' ' ' LYS . 30.3 mt-10 -135.17 123.87 23.76 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 108.131 -1.063 . . . . 1.27 108.131 179.444 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 118' ' ' TYR . . . . . 0.433 ' HB2' ' HB3' ' A' ' 100' ' ' LEU . 40.1 m-85 -93.42 115.83 28.37 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-O 120.887 0.375 . . . . 0.6 110.381 -175.883 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 119' ' ' ARG . . . . . 0.446 ' HA ' ' O ' ' A' ' 98' ' ' ASN . 88.7 mtm180 -120.46 157.1 30.09 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.822 -0.626 . . . . 3.41 110.327 -178.326 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 120' ' ' ARG . . . . . 0.5 ' HG2' ' CE1' ' A' ' 7' ' ' PHE . 12.1 mmm180 -102.48 140.37 36.85 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 110.235 -0.283 . . . . 1.96 110.235 174.721 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -142.28 89.3 2.15 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.557 -0.534 . . . . 1.08 109.557 173.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 71.55 -113.11 4.46 Favored Glycine 0 N--CA 1.446 -0.634 0 N-CA-C 111.052 -0.819 . . . . 0.92 111.052 -175.071 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -107.49 12.31 27.96 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.058 0.456 . . . . 2.31 110.409 176.746 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 -106.74 140.55 39.42 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 116.072 -0.513 . . . . 0.67 111.122 -179.196 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -91.89 117.62 29.97 Favored 'General case' 0 N--CA 1.449 -0.524 0 N-CA-C 107.479 -1.304 . . . . 1.03 107.479 170.613 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 72.1 t -111.55 120.08 61.28 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.855 0 CA-C-O 121.153 0.502 . . . . 0.47 110.29 -172.286 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 127' ' ' MET . . . . . 0.549 ' O ' ' HA ' ' A' ' 137' ' ' SER . 31.1 ttm -93.02 136.59 33.15 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-N 115.572 -0.74 . . . . 1.08 110.418 -179.312 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 128' ' ' LYS . . . . . 0.518 ' HB3' ' HB2' ' A' ' 117' ' ' GLU . 23.9 tptm -119.85 116.27 25.53 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 109.301 -0.629 . . . . 2.2 109.301 178.338 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 129' ' ' MET . . . . . 0.503 ' HB2' ' CG2' ' A' ' 136' ' ' THR . 16.3 mtp -122.79 133.73 54.44 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 108.445 -0.946 . . . . 1.11 108.445 -179.803 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 130' ' ' SER . . . . . 0.425 ' HA ' ' O ' ' A' ' 134' ' ' VAL . 10.8 p -141.19 129.68 22.57 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.185 0.517 . . . . 1.06 111.615 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 131' ' ' TRP . . . . . 0.428 ' CD1' ' HG3' ' A' ' 132' ' ' LYS . 53.1 t-105 -144.93 130.23 18.66 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.318 -0.855 . . . . 0.76 110.085 178.526 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 132' ' ' LYS . . . . . 0.428 ' HG3' ' CD1' ' A' ' 131' ' ' TRP . 67.8 mttm 51.51 44.26 29.15 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 121.196 0.522 . . . . 1.96 111.245 -177.451 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 80.93 -22.14 5.18 Favored Glycine 0 CA--C 1.52 0.353 0 CA-C-N 115.725 -0.67 . . . . 0.53 113.016 179.616 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 134' ' ' VAL . . . . . 0.425 ' O ' ' HA ' ' A' ' 130' ' ' SER . 27.7 t -74.85 107.83 5.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 N-CA-C 110.159 -0.312 . . . . 0.43 110.159 -177.73 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 1.2 m -102.71 137.21 41.23 Favored 'General case' 0 N--CA 1.433 -1.285 0 CA-C-O 121.134 0.493 . . . . 1.14 110.992 -179.739 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 136' ' ' THR . . . . . 0.503 ' CG2' ' HB2' ' A' ' 129' ' ' MET . 6.2 t -134.81 135.63 41.92 Favored 'General case' 0 C--N 1.309 -1.171 0 CA-C-N 115.344 -0.843 . . . . 0.4 110.22 179.615 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 137' ' ' SER . . . . . 0.549 ' HA ' ' O ' ' A' ' 127' ' ' MET . 62.0 m -116.47 110.0 18.04 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.242 -0.435 . . . . 0.79 109.961 176.068 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 138' ' ' ARG . . . . . 0.46 ' NH1' ' H62' ' A' 1001 ' ' OLA . 29.7 mtp180 -90.2 131.42 36.04 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.232 -0.655 . . . . 1.84 109.232 177.392 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -100.41 112.22 24.55 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.196 0.522 . . . . 0.64 111.091 -174.624 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 68.8 m-85 -107.76 135.03 49.87 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.252 -0.885 . . . . 0.6 108.841 177.116 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 13.3 ptpt -108.45 168.17 9.51 Favored 'General case' 0 C--N 1.309 -1.154 0 N-CA-C 107.565 -1.272 . . . . 1.92 107.565 172.728 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 142' ' ' LYS . . . . . 0.42 ' HA ' ' HA ' ' A' ' 11' ' ' PHE . 78.5 tttt -57.24 170.19 0.51 Allowed 'General case' 0 C--N 1.313 -1.003 0 CA-C-O 121.251 0.548 . . . . 2.13 110.888 174.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 143' ' ' GLN . . . . . 0.513 ' HG3' HG22 ' A' ' 10' ' ' THR . 17.5 mm-40 . . . . . 0 C--O 1.248 0.976 0 O-C-N 121.33 -0.856 . . . . 1.46 109.838 160.633 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1001 ' ' OLA . . . . . 0.63 H142 ' HA ' ' A' ' 84' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' -11' ' ' MET . . . . . . . . . . . . . 14.3 tpt . . . . . 0 N--CA 1.482 1.153 0 CA-C-O 120.582 0.229 . . . . 14.47 110.563 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' -10' ' ' ARG . . . . . . . . . . . . . 9.4 ptp180 -140.6 24.28 2.25 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.821 0.343 . . . . 15.82 110.541 177.057 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' -9' ' ' GLY . . . . . . . . . . . . . . . 90.63 99.93 1.18 Allowed Glycine 0 N--CA 1.445 -0.728 0 C-N-CA 120.501 -0.857 . . . . 11.88 111.822 -176.513 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' -8' ' ' SER . . . . . . . . . . . . . 48.8 m -82.33 54.11 2.48 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.279 0.562 . . . . 11.68 111.706 -176.647 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' -7' ' ' HIS . . . . . . . . . . . . . 15.9 t60 -132.39 -67.81 0.64 Allowed 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.806 -0.813 . . . . 11.79 108.806 173.321 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' -6' ' ' HIS . . . . . . . . . . . . . 9.0 t-160 -88.35 126.72 35.34 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 108.347 -0.983 . . . . 10.98 108.347 175.074 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' -5' ' ' HIS . . . . . . . . . . . . . 66.5 m-70 65.34 43.22 3.58 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 120.939 0.399 . . . . 9.31 110.773 -174.023 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' -4' ' ' HIS . . . . . . . . . . . . . 24.2 p-80 -78.13 -42.8 30.74 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.864 -0.421 . . . . 10.54 109.864 178.138 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' -3' ' ' HIS . . . . . . . . . . . . . 43.1 m-70 -162.39 76.46 0.46 Allowed 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 108.773 -0.825 . . . . 8.73 108.773 177.722 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 25.5 t-80 -95.92 -4.0 44.24 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.207 0.527 . . . . 7.06 110.322 -175.491 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 92.14 -155.57 23.03 Favored Glycine 0 N--CA 1.442 -0.961 0 C-N-CA 120.583 -0.818 . . . . 3.5 112.161 179.38 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 3.0 m -82.8 136.38 34.68 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-O 120.866 0.365 . . . . 3.11 111.037 -176.396 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.445 ' O ' HD13 ' A' ' 74' ' ' LEU . 52.1 mttp -67.93 124.0 22.16 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 107.179 -1.415 . . . . 2.99 107.179 166.212 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 2.0 m -70.82 126.34 29.33 Favored 'General case' 0 C--N 1.319 -0.739 0 C-N-CA 120.395 -0.522 . . . . 0.99 110.533 -172.558 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.453 ' HA ' HD23 ' A' ' 3' ' ' LEU . 5.7 mt -62.05 123.84 79.54 Favored Pre-proline 0 C--N 1.323 -0.58 0 CA-C-N 115.487 -0.779 . . . . 0.59 111.508 179.548 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_exo -59.8 135.44 63.63 Favored 'Trans proline' 0 N--CA 1.458 -0.585 0 C-N-CA 122.722 2.281 . . . . 0.61 110.567 171.119 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.435 ' HA ' HD12 ' A' ' 8' ' ' LEU . 6.1 m-20 -54.76 -21.79 12.14 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 115.978 -0.556 . . . . 2.19 111.824 -178.442 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.579 ' O ' ' HD3' ' A' ' 120' ' ' ARG . 67.9 mttm -59.79 -26.92 66.12 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.309 0.485 . . . . 2.53 112.309 176.31 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -99.65 -0.48 40.17 Favored 'General case' 0 C--N 1.328 -0.327 0 O-C-N 122.036 -0.415 . . . . 0.6 110.258 -179.228 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.467 ' HA ' ' HB2' ' A' ' 45' ' ' PHE . 89.5 mt -102.64 145.42 29.69 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.184 0.516 . . . . 0.46 111.438 -174.177 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 127.24 -173.97 18.43 Favored Glycine 0 N--CA 1.446 -0.693 0 CA-C-N 115.441 -0.8 . . . . 0.52 111.559 -176.355 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.522 HG23 ' HG2' ' A' ' 44' ' ' LYS . 36.1 m -110.95 123.23 49.75 Favored 'General case' 0 N--CA 1.446 -0.625 0 N-CA-C 109.994 -0.373 . . . . 1.05 109.994 177.082 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.447 ' HA ' ' HA ' ' A' ' 142' ' ' LYS . 56.9 m-85 -118.24 136.07 53.89 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.317 -0.401 . . . . 0.47 111.166 -174.749 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.564 ' HB3' ' OE1' ' A' ' 143' ' ' GLN . 21.7 ptmt -101.05 132.4 46.51 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 120.061 -0.656 . . . . 2.19 111.7 173.591 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.588 HD23 ' CE2' ' A' ' 140' ' ' TYR . 2.8 tm? -58.35 129.58 42.67 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 115.127 -0.942 . . . . 1.14 110.816 176.606 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -106.48 -46.99 3.88 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.363 -0.381 . . . . 2.08 111.533 -179.551 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 2.2 ptm180 -162.44 -174.38 4.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.908 0.385 . . . . 3.36 110.901 -178.666 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -143.84 163.8 32.35 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.808 -0.633 . . . . 1.19 110.387 -179.277 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -145.74 118.47 8.64 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.571 -0.286 . . . . 2.66 110.628 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 42.4 t30 73.17 22.0 2.97 Favored 'General case' 0 N--CA 1.477 0.904 0 CA-C-O 121.764 0.792 . . . . 0.76 110.427 179.542 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.497 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 9.7 t80 -75.89 -42.2 49.83 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.103 -0.953 . . . . 0.49 111.273 -171.604 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.426 ' O ' ' HG3' ' A' ' 24' ' ' LYS . 8.2 p-10 -60.51 -42.05 95.61 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 121.176 -0.21 . . . . 2.04 110.564 177.711 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 22.9 mm-40 -54.18 -46.12 72.28 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.442 -0.345 . . . . 1.79 110.727 175.657 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 43.6 t80 -58.76 -39.65 81.62 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.293 -0.412 . . . . 0.57 110.71 176.575 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.497 ' HG ' ' O ' ' A' ' 19' ' ' PHE . 88.7 mt -67.5 -38.67 84.66 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.309 -0.405 . . . . 0.37 110.576 -175.448 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.426 ' HG3' ' O ' ' A' ' 20' ' ' ASP . 89.8 mttt -64.25 -50.26 68.66 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.841 -0.618 . . . . 1.88 110.054 177.118 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.04 -36.61 75.31 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.344 -0.844 . . . . 0.44 111.021 178.134 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.49 ' HA ' ' CD1' ' A' ' 131' ' ' TRP . 16.0 tpt180 -70.7 -17.81 62.82 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.786 -0.643 . . . . 1.29 111.14 -178.929 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 95.61 28.16 9.85 Favored Glycine 0 N--CA 1.447 -0.618 0 C-N-CA 120.766 -0.73 . . . . 0.62 112.762 179.428 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 48.8 m-85 -92.66 129.38 38.6 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.871 0.367 . . . . 0.64 110.397 175.808 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -74.9 178.68 45.87 Favored Glycine 0 N--CA 1.445 -0.703 0 CA-C-N 115.668 -0.697 . . . . 1.54 111.921 177.139 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.518 ' O ' ' HG2' ' A' ' 34' ' ' GLN . 90.4 t90 -50.63 -54.75 20.32 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 122.759 0.424 . . . . 1.18 111.901 -176.513 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 1.2 mm -52.77 -54.58 15.44 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.314 0 N-CA-C 111.989 0.366 . . . . 2.16 111.989 -178.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.75 -45.02 82.3 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.634 -0.257 . . . . 0.97 110.838 177.438 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.451 ' HA ' HD13 ' A' ' 23' ' ' LEU . 41.5 ttp180 -65.46 -21.01 66.6 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.186 0.517 . . . . 1.87 110.74 -177.838 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.518 ' HG2' ' O ' ' A' ' 30' ' ' TRP . 89.7 mm-40 -84.02 -39.36 19.73 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.855 -0.611 . . . . 1.97 110.34 177.356 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 55.7 t -73.5 -57.45 6.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.26 -0.427 . . . . 0.68 111.111 -176.869 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.522 HG12 ' C9 ' ' A' 1001 ' ' OLA . 66.8 mt -47.43 -35.76 4.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 N-CA-C 113.753 1.02 . . . . 0.51 113.753 179.431 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.42 ' HG3' ' O ' ' A' ' 33' ' ' ARG . 40.3 mtmt -77.09 -21.83 53.72 Favored 'General case' 0 N--CA 1.467 0.39 0 O-C-N 121.967 -0.458 . . . . 0.97 111.681 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 54.9 mt -90.3 -13.58 34.96 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.245 0.545 . . . . 2.08 110.305 -179.443 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -75.82 109.21 9.24 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.407 -0.815 . . . . 1.03 111.049 -178.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.407 ' O ' ' HA ' ' A' ' 62' ' ' THR . . . -77.97 154.92 41.92 Favored Glycine 0 N--CA 1.444 -0.83 0 N-CA-C 110.387 -1.085 . . . . 0.84 110.387 174.159 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.445 HG22 HG22 ' A' ' 62' ' ' THR . 43.9 t -133.71 131.82 56.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-O 121.228 0.537 . . . . 1.3 110.723 -175.892 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 23.7 m -107.34 107.14 17.91 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.766 -0.652 . . . . 0.45 109.761 175.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.791 ' HE3' ' SD ' ' A' ' 127' ' ' MET . 74.2 mmtt -84.14 129.52 34.89 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.098 -0.501 . . . . 0.79 110.029 179.378 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.582 ' O ' ' HA ' ' A' ' 58' ' ' MET . 10.2 mtpm? -128.81 106.06 8.67 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 120.811 0.339 . . . . 1.96 110.726 177.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.484 ' CZ ' ' HE2' ' A' ' 58' ' ' MET . 91.4 m-85 -109.86 120.65 43.15 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 109.251 -0.648 . . . . 0.54 109.251 177.018 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 15.3 ptm180 -149.13 162.85 39.15 Favored 'General case' 0 C--N 1.319 -0.735 0 C-N-CA 120.68 -0.408 . . . . 3.17 111.072 -178.545 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.425 ' HA ' ' CD2' ' A' ' 56' ' ' TYR . 1.9 t-20 -65.83 144.26 56.95 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 107.602 -1.259 . . . . 1.85 107.602 171.676 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -47.14 130.29 12.63 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-O 121.554 0.693 . . . . 0.87 111.997 -171.85 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.11 -34.23 77.16 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 114.235 -1.348 . . . . 1.48 111.697 -169.148 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 19.3 m -72.44 13.22 0.36 Allowed 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 112.233 0.457 . . . . 2.37 112.233 178.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 76.03 29.09 59.35 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.8 -0.714 . . . . 1.91 113.074 177.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -92.93 123.46 61.24 Favored Pre-proline 0 C--N 1.323 -0.584 0 N-CA-C 110.087 -0.338 . . . . 3.17 110.087 177.124 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.476 ' O ' ' HB3' ' A' ' 54' ' ' ASP . 72.0 Cg_endo -76.01 146.33 29.05 Favored 'Trans proline' 0 N--CA 1.46 -0.462 0 C-N-CA 122.606 2.204 . . . . 1.84 111.761 177.914 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.476 ' HB3' ' O ' ' A' ' 53' ' ' PRO . 19.6 t70 78.73 -52.94 0.47 Allowed 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 123.803 0.841 . . . . 2.44 109.528 -179.857 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 4.1 tpp180 -55.89 132.36 49.44 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 114.804 -1.089 . . . . 4.1 110.689 172.426 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.425 ' CD2' ' HA ' ' A' ' 47' ' ' ASN . 48.4 m-85 -113.95 171.02 7.85 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.296 0.569 . . . . 0.97 111.837 179.124 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -132.74 135.45 45.75 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.269 -0.878 . . . . 1.1 108.662 176.667 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.582 ' HA ' ' O ' ' A' ' 44' ' ' LYS . 1.5 tmt? -144.2 142.73 30.69 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.594 -0.521 . . . . 0.98 109.594 -176.481 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.486 ' HG2' ' HB2' ' A' ' 44' ' ' LYS . 15.6 pt-20 -149.44 157.97 43.77 Favored 'General case' 0 C--N 1.319 -0.745 0 C-N-CA 120.457 -0.497 . . . . 1.11 111.687 -179.395 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.422 ' HB2' ' OG1' ' A' ' 67' ' ' THR . 31.9 m-80 -130.31 98.98 4.87 Favored 'General case' 0 CA--C 1.513 -0.465 0 CA-C-N 115.281 -0.872 . . . . 1.17 109.7 -178.389 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 93.6 mt -92.01 125.28 36.64 Favored 'General case' 0 C--N 1.316 -0.85 0 N-CA-C 109.752 -0.462 . . . . 1.67 109.752 176.704 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.445 HG22 HG22 ' A' ' 41' ' ' VAL . 29.9 p -126.73 -158.33 0.86 Allowed 'General case' 0 N--CA 1.446 -0.647 0 N-CA-C 109.966 -0.383 . . . . 0.45 109.966 -175.871 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 74.3 p -98.0 -36.29 10.17 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-O 121.151 0.5 . . . . 0.54 110.668 -178.826 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -102.02 -24.23 14.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.712 -0.676 . . . . 2.24 111.416 -175.608 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.71 ' HG3' ' H ' ' A' ' 66' ' ' ASP . 19.6 tptp -138.49 -146.31 0.21 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.013 0.435 . . . . 1.82 110.227 -174.851 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.71 ' H ' ' HG3' ' A' ' 65' ' ' LYS . 7.7 p-10 163.5 147.69 0.01 OUTLIER 'General case' 0 C--N 1.31 -1.132 0 CA-C-N 114.82 -1.082 . . . . 2.12 108.853 -165.542 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.512 HG22 ' O ' ' A' ' 81' ' ' GLU . 22.3 p -150.5 150.22 30.99 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 108.386 -0.968 . . . . 0.56 108.386 173.512 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 3.5 t-160 -144.12 99.06 3.32 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.419 0.628 . . . . 1.95 109.977 175.276 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 8.8 m-70 -79.6 81.47 5.86 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.021 -0.99 . . . . 0.39 109.289 179.565 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 61.8 mttm -71.65 122.11 19.99 Favored 'General case' 0 C--O 1.235 0.328 0 N-CA-C 112.368 0.507 . . . . 2.3 112.368 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 30.6 m-20 59.41 68.83 0.76 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.07 -0.968 . . . . 2.07 111.312 171.397 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' TRP . . . . . 0.426 ' HE1' ' HB2' ' A' ' 58' ' ' MET . 68.4 p-90 -109.26 144.18 37.74 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 116.032 -0.531 . . . . 0.43 109.836 177.007 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -111.71 136.31 51.13 Favored 'General case' 0 C--N 1.316 -0.869 0 N-CA-C 109.227 -0.657 . . . . 0.55 109.227 176.893 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.475 HD11 ' HG ' ' A' ' 94' ' ' LEU . 6.2 tt -61.77 129.91 43.24 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-O 121.322 0.582 . . . . 1.71 109.985 178.04 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 91.7 9.92 62.22 Favored Glycine 0 N--CA 1.448 -0.539 0 CA-C-N 115.534 -0.757 . . . . 0.59 111.923 -171.391 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -124.6 166.09 16.72 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 110.138 -0.319 . . . . 2.37 110.138 -178.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.449 ' HA ' ' O ' ' A' ' 90' ' ' ILE . 9.8 pt-20 -131.98 146.85 52.34 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.578 -0.897 . . . . 1.4 108.578 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 17.5 p90 -142.17 156.98 45.37 Favored 'General case' 0 C--N 1.308 -1.211 0 CA-C-N 116.557 -0.292 . . . . 0.57 111.409 -176.797 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -79.1 141.77 37.03 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.349 -0.612 . . . . 1.95 109.349 174.148 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -154.93 158.74 39.71 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 121.135 -0.226 . . . . 1.26 110.668 -174.158 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.512 ' O ' HG22 ' A' ' 67' ' ' THR . 30.9 tt0 -99.06 84.31 3.03 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 108.076 -1.083 . . . . 2.13 108.076 174.708 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.423 ' HA ' ' CG2' ' A' ' 67' ' ' THR . . . -67.73 170.07 8.51 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 114.52 -1.218 . . . . 0.95 113.9 -165.589 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.463 HD22 HG21 ' A' ' 67' ' ' THR . 3.0 mm? -54.43 -36.12 63.68 Favored 'General case' 0 CA--C 1.519 -0.237 0 CA-C-N 115.873 -0.603 . . . . 1.34 110.47 179.698 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.56 ' HA ' H131 ' A' 1001 ' ' OLA . 9.1 p-10 -79.06 17.99 0.69 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.554 -0.748 . . . . 1.55 111.918 -175.632 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 17.6 m 61.78 34.34 17.29 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 115.705 -0.679 . . . . 1.21 112.13 169.515 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 30.6 p -129.69 170.45 13.8 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 116.143 -0.48 . . . . 0.93 110.23 177.318 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 7.8 mm100 -109.04 118.68 37.42 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 108.071 -1.085 . . . . 1.88 108.071 176.736 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' HIS . . . . . 0.603 ' HB2' ' O ' ' A' ' 105' ' ' ILE . 19.9 p80 -160.96 176.34 11.51 Favored 'General case' 0 C--N 1.318 -0.795 0 C-N-CA 120.169 -0.612 . . . . 1.04 112.233 179.023 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.545 ' HG3' ' HB ' ' A' ' 105' ' ' ILE . 17.9 ptmt -82.5 152.99 25.82 Favored 'General case' 0 N--CA 1.445 -0.718 0 CA-C-N 115.359 -0.837 . . . . 1.49 109.996 -177.489 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.449 ' O ' ' HA ' ' A' ' 77' ' ' GLU . 65.0 mt -142.98 124.03 11.16 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.951 0 CA-C-N 115.438 -0.801 . . . . 0.54 109.697 -178.765 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 16.9 m -111.21 140.51 45.71 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 116.017 -0.538 . . . . 0.43 110.64 -177.761 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.404 ' HD2' HD11 ' A' ' 100' ' ' LEU . 6.3 m-85 -115.89 140.61 49.07 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 109.167 -0.679 . . . . 0.6 109.167 175.552 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.473 ' HA ' ' CD2' ' A' ' 74' ' ' LEU . 7.8 t0 -166.97 165.87 15.66 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.691 -0.485 . . . . 1.69 109.691 178.875 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.475 ' HG ' HD11 ' A' ' 74' ' ' LEU . 3.5 mt -103.6 127.56 51.01 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.869 0.366 . . . . 1.12 110.151 177.924 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 42.7 tttm -83.26 -47.21 11.76 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 107.279 -1.378 . . . . 3.03 107.279 173.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.436 ' C ' ' H ' ' A' ' 98' ' ' ASN . 12.9 m-20 -135.97 166.12 30.61 Favored Pre-proline 0 C--N 1.319 -0.733 0 N-CA-C 106.653 -1.61 . . . . 1.79 106.653 171.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 14.9 Cg_exo -70.96 6.83 1.54 Allowed 'Trans proline' 0 CA--C 1.528 0.199 0 C-N-CA 122.433 2.089 . . . . 0.98 110.979 176.294 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' ASN . . . . . 0.436 ' H ' ' C ' ' A' ' 96' ' ' ASP . 16.8 m120 -121.87 9.38 10.03 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 114.847 -1.07 . . . . 2.32 110.066 178.418 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 58.5 m -154.31 109.52 3.12 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-O 121.333 0.587 . . . . 0.56 112.159 -178.279 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.485 ' HB3' ' HB2' ' A' ' 118' ' ' TYR . 28.8 tp -87.66 143.65 27.07 Favored 'General case' 0 C--O 1.215 -0.733 0 CA-C-N 115.165 -0.925 . . . . 1.1 108.696 171.802 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 17.1 p -121.53 133.67 55.03 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 118.934 0.788 . . . . 0.41 111.577 179.62 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 62.0 tt0 -112.29 100.15 8.57 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.873 -0.788 . . . . 1.31 108.873 174.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 37.0 m -96.13 111.87 23.78 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.185 0.517 . . . . 0.51 110.842 -174.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' HIS . . . . . 0.465 ' HB3' ' CE1' ' A' ' 88' ' ' HIS . 39.4 m170 -93.46 108.42 20.11 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.825 -0.625 . . . . 1.69 109.849 179.841 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.603 ' O ' ' HB2' ' A' ' 88' ' ' HIS . 29.3 mt -110.98 118.69 57.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-O 121.224 0.535 . . . . 0.75 110.947 178.611 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.595 ' HA ' ' CB ' ' A' ' 88' ' ' HIS . 97.5 mttt -64.26 114.92 4.56 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.486 -0.779 . . . . 1.61 111.619 177.414 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.412 HG13 ' H ' ' A' ' 89' ' ' LYS . 14.2 m -58.07 -23.38 21.29 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-N 114.957 -1.019 . . . . 1.32 111.844 178.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -81.71 -42.13 20.3 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.277 -0.42 . . . . 2.5 110.453 178.712 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -146.03 98.08 4.43 Favored Pre-proline 0 C--N 1.322 -0.614 0 CA-C-O 121.456 0.646 . . . . 2.39 110.203 -178.502 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -75.37 17.35 0.64 Allowed 'Trans proline' 0 C--N 1.331 -0.351 0 C-N-CA 123.496 2.797 . . . . 0.9 113.873 -177.011 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 65.5 p -107.95 -17.79 13.96 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.237 -0.585 . . . . 1.47 110.684 175.523 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -99.15 43.57 1.05 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 122.104 0.954 . . . . 1.59 109.033 178.369 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 23.5 m -64.72 -172.99 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 114.207 -1.361 . . . . 1.6 113.778 -178.5 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -165.05 143.0 6.23 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 114.474 -1.239 . . . . 2.78 108.511 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 50.7 m -144.26 131.48 20.7 Favored 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 120.259 -0.576 . . . . 0.53 112.208 -179.453 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' TYR . . . . . 0.435 ' CZ ' ' H21' ' A' 1001 ' ' OLA . 9.3 m-30 -111.09 160.44 16.88 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 106.813 -1.551 . . . . 0.96 106.813 172.224 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 117' ' ' GLU . . . . . 0.47 ' HG2' ' O ' ' A' ' 128' ' ' LYS . 12.7 pt-20 -143.24 137.95 29.29 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 119.187 0.903 . . . . 1.27 109.471 176.41 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 118' ' ' TYR . . . . . 0.485 ' HB2' ' HB3' ' A' ' 100' ' ' LEU . 78.5 m-85 -107.14 114.84 29.16 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.685 -0.689 . . . . 0.6 111.194 -173.14 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 24.4 ptt180 -123.23 150.4 43.49 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.712 -0.676 . . . . 3.41 109.731 177.453 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' ARG . . . . . 0.579 ' HD3' ' O ' ' A' ' 6' ' ' LYS . 8.6 tpt180 -103.64 120.34 40.72 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.834 0.35 . . . . 1.96 110.82 -175.55 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -117.37 93.58 4.23 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.589 -0.523 . . . . 1.08 109.589 176.74 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 66.89 -114.64 6.56 Favored Glycine 0 N--CA 1.447 -0.623 0 C-N-CA 120.844 -0.693 . . . . 0.92 111.658 -176.867 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 123' ' ' ASP . . . . . 0.447 ' HA ' HH21 ' A' ' 120' ' ' ARG . 39.8 m-20 -99.77 3.94 45.11 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.038 0.446 . . . . 2.31 110.472 177.888 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 124' ' ' TYR . . . . . 0.689 ' CD2' ' HB3' ' A' ' 141' ' ' LYS . 80.6 m-85 -107.37 131.4 54.29 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.211 0.529 . . . . 0.67 111.574 -175.593 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.438 HD11 ' HD1' ' A' ' 118' ' ' TYR . 3.2 tm? -86.87 113.6 22.8 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 107.491 -1.299 . . . . 1.03 107.491 173.294 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 54.6 t -111.8 134.44 54.22 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.951 0 N-CA-C 109.707 -0.479 . . . . 0.47 109.707 -171.509 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 127' ' ' MET . . . . . 0.791 ' SD ' ' HE3' ' A' ' 43' ' ' LYS . 94.1 mtp -110.81 153.54 25.24 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-N 116.097 -0.501 . . . . 1.08 111.117 -177.899 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 128' ' ' LYS . . . . . 0.47 ' O ' ' HG2' ' A' ' 117' ' ' GLU . 33.8 tttm -134.3 134.69 42.16 Favored 'General case' 0 C--N 1.309 -1.154 0 CA-C-N 115.145 -0.934 . . . . 2.2 109.119 173.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 129' ' ' MET . . . . . 0.479 ' HG3' ' CG2' ' A' ' 136' ' ' THR . 7.7 ptm -142.24 130.38 22.07 Favored 'General case' 0 C--N 1.313 -0.98 0 N-CA-C 108.413 -0.958 . . . . 1.11 108.413 177.011 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -131.25 125.09 31.95 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.171 0.51 . . . . 1.06 111.912 -172.264 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 131' ' ' TRP . . . . . 0.49 ' CD1' ' HA ' ' A' ' 26' ' ' ARG . 52.4 t-105 -134.84 125.83 27.6 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.499 -0.773 . . . . 0.76 109.644 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 93.7 mttt 52.77 44.34 30.36 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.893 -0.594 . . . . 1.96 111.667 -177.844 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 85.51 -30.77 4.03 Favored Glycine 0 CA--C 1.519 0.312 0 C-N-CA 120.962 -0.637 . . . . 0.53 112.918 179.572 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 23.1 t -75.13 105.64 4.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 121.002 0.429 . . . . 0.43 110.454 -176.893 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -102.25 138.42 39.21 Favored 'General case' 0 N--CA 1.434 -1.231 0 CA-C-N 115.954 -0.567 . . . . 1.14 110.349 177.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 136' ' ' THR . . . . . 0.479 ' CG2' ' HG3' ' A' ' 129' ' ' MET . 3.3 t -129.61 142.33 50.76 Favored 'General case' 0 C--N 1.309 -1.19 0 CA-C-N 115.741 -0.663 . . . . 0.4 110.206 178.588 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 137' ' ' SER . . . . . 0.556 ' HA ' ' O ' ' A' ' 127' ' ' MET . 17.8 m -114.98 118.07 32.4 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.771 -0.65 . . . . 0.79 110.104 178.569 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 138' ' ' ARG . . . . . 0.464 ' NH1' ' H32' ' A' 1001 ' ' OLA . 60.3 mtp180 -94.33 140.2 30.1 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.378 -0.601 . . . . 1.84 109.378 177.094 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 -105.63 110.03 22.2 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.298 0.571 . . . . 0.64 111.489 -174.514 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 140' ' ' TYR . . . . . 0.588 ' CE2' HD23 ' A' ' 13' ' ' LEU . 14.6 m-85 -110.97 154.8 23.62 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.182 -0.917 . . . . 0.6 109.019 174.282 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 141' ' ' LYS . . . . . 0.689 ' HB3' ' CD2' ' A' ' 124' ' ' TYR . 0.0 OUTLIER -134.83 177.14 8.02 Favored 'General case' 0 C--N 1.311 -1.09 0 N-CA-C 107.069 -1.456 . . . . 1.92 107.069 163.582 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 142' ' ' LYS . . . . . 0.447 ' HA ' ' HA ' ' A' ' 11' ' ' PHE . 60.8 tttm -52.07 166.07 0.18 Allowed 'General case' 0 C--N 1.315 -0.924 0 CA-C-O 121.562 0.696 . . . . 2.13 111.328 176.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 143' ' ' GLN . . . . . 0.564 ' OE1' ' HB3' ' A' ' 12' ' ' LYS . 5.6 mm100 . . . . . 0 C--N 1.316 -0.86 0 N-CA-C 108.984 -0.747 . . . . 1.46 108.984 159.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1001 ' ' OLA . . . . . 0.595 ' C9 ' H141 ' A' 1001 ' ' OLA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' -11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.481 1.086 0 CA-C-O 120.734 0.302 . . . . 14.47 110.802 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' -10' ' ' ARG . . . . . . . . . . . . . 21.3 tpp180 -156.16 92.92 1.38 Allowed 'General case' 0 N--CA 1.453 -0.301 0 N-CA-C 109.689 -0.485 . . . . 15.82 109.689 -179.171 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' -9' ' ' GLY . . . . . . . . . . . . . . . 105.98 5.45 38.21 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.79 -0.719 . . . . 11.88 112.233 -178.707 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' -8' ' ' SER . . . . . . . . . . . . . 15.0 m -66.92 142.16 57.38 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.536 0.208 . . . . 11.68 110.51 -179.591 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' -7' ' ' HIS . . . . . . . . . . . . . 85.7 m-70 60.31 26.92 16.44 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 116.02 -0.537 . . . . 11.79 111.402 -179.551 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' -6' ' ' HIS . . . . . . . . . . . . . 39.7 m80 -109.78 -29.96 8.07 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.862 -0.608 . . . . 10.98 109.766 174.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' -5' ' ' HIS . . . . . . . . . . . . . 92.1 m-70 65.39 -78.22 0.04 OUTLIER 'General case' 0 N--CA 1.462 0.165 0 CA-C-N 115.102 -0.954 . . . . 9.31 111.622 177.794 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' -4' ' ' HIS . . . . . . . . . . . . . 24.5 m-70 -86.33 112.19 21.19 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.659 -0.246 . . . . 10.54 110.676 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' -3' ' ' HIS . . . . . . . . . . . . . 19.3 m-70 -68.08 114.59 6.73 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.104 -0.702 . . . . 8.73 109.104 172.733 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 49.5 p-80 -136.36 144.13 44.44 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 116.261 -0.427 . . . . 7.06 111.432 -170.679 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -84.35 -28.81 32.18 Favored Glycine 0 N--CA 1.447 -0.593 0 N-CA-C 110.406 -1.078 . . . . 3.5 110.406 171.74 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 18.2 m -137.15 140.19 41.68 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.068 -0.715 . . . . 3.11 109.068 172.716 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.483 ' O ' HD21 ' A' ' 74' ' ' LEU . 0.1 OUTLIER -81.74 129.97 34.9 Favored 'General case' 0 C--N 1.315 -0.906 0 N-CA-C 108.96 -0.756 . . . . 2.99 108.96 174.551 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 2.6 m -77.06 134.41 38.78 Favored 'General case' 0 C--N 1.312 -1.028 0 C-N-CA 120.65 -0.42 . . . . 0.99 110.072 -175.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.575 HD23 ' HD2' ' A' ' 4' ' ' PRO . 0.2 OUTLIER -59.38 120.0 44.37 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 115.783 -0.644 . . . . 0.59 110.579 -178.928 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.575 ' HD2' HD23 ' A' ' 3' ' ' LEU . 31.6 Cg_exo -57.81 130.58 39.2 Favored 'Trans proline' 0 N--CA 1.462 -0.333 0 C-N-CA 122.532 2.155 . . . . 0.61 110.795 174.065 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.476 ' HA ' HD12 ' A' ' 8' ' ' LEU . 3.2 m-20 -59.8 -20.24 55.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.003 -0.544 . . . . 2.19 112.276 -175.075 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 57.7 mtmt -70.9 -7.3 44.8 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 111.998 0.37 . . . . 2.53 111.998 177.396 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 31.4 m-85 -93.38 -6.58 46.87 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.623 -0.51 . . . . 0.6 109.623 172.034 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.52 HD23 ' HB3' ' A' ' 45' ' ' PHE . 87.6 mt -100.8 156.97 17.06 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.462 0.649 . . . . 0.46 111.514 -171.534 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 131.31 -147.11 18.41 Favored Glycine 0 N--CA 1.443 -0.844 0 CA-C-N 114.813 -1.085 . . . . 0.52 111.34 -179.546 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.586 HG23 ' HB2' ' A' ' 143' ' ' GLN . 12.9 t -153.63 141.59 20.23 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-O 121.062 0.458 . . . . 1.05 110.096 177.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.677 ' HA ' ' HA ' ' A' ' 142' ' ' LYS . 64.8 m-85 -132.12 135.41 46.38 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 115.865 -0.607 . . . . 0.47 111.895 -175.767 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.479 ' N ' ' O ' ' A' ' 141' ' ' LYS . 38.1 mtmt -75.3 -161.17 0.14 Allowed 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 109.082 -0.71 . . . . 2.19 109.082 163.926 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.512 HD12 ' HB ' ' A' ' 41' ' ' VAL . 3.8 tt -135.26 108.59 7.81 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.139 -0.689 . . . . 1.14 109.139 -176.352 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -83.66 -48.33 10.29 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.459 -0.337 . . . . 2.08 111.195 -178.297 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.41 HH11 ' HD3' ' A' ' 15' ' ' ARG . 1.7 ptm180 -163.75 -174.55 3.72 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.282 0.563 . . . . 3.36 111.633 -177.324 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.548 ' HB3' ' HE ' ' A' ' 138' ' ' ARG . 2.8 p30 -156.28 172.33 18.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.431 -0.804 . . . . 1.19 109.594 176.686 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -143.49 114.28 7.66 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.645 -0.252 . . . . 2.66 110.781 -178.205 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 48.9 t30 74.18 22.6 2.26 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-O 121.644 0.735 . . . . 0.76 111.118 175.51 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 68.5 t80 -73.74 -37.24 65.14 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.475 -0.784 . . . . 0.49 110.919 -174.9 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -59.47 -48.0 83.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.422 -0.354 . . . . 2.04 111.069 177.509 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.424 ' HA ' ' HD3' ' A' ' 24' ' ' LYS . 40.3 mm-40 -56.51 -40.03 74.3 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 116.225 -0.443 . . . . 1.79 111.006 176.528 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 89.1 t80 -57.6 -38.24 74.56 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.163 -0.471 . . . . 0.57 110.976 176.473 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.431 ' CD2' H183 ' A' 1001 ' ' OLA . 95.4 mt -66.35 -38.97 88.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.947 0.403 . . . . 0.37 110.705 -179.26 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.424 ' HD3' ' HA ' ' A' ' 21' ' ' GLU . 55.8 mtpt -62.41 -44.96 95.2 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.682 -0.69 . . . . 1.88 109.765 177.164 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.74 -41.12 90.23 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.248 -0.887 . . . . 0.44 110.899 176.422 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 13.5 mmm180 -66.18 -15.12 62.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.941 -0.572 . . . . 1.29 111.738 -178.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 94.85 18.29 35.18 Favored Glycine 0 N--CA 1.447 -0.598 0 C-N-CA 120.568 -0.825 . . . . 0.62 112.372 179.174 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 40.3 m-85 -86.91 127.47 35.06 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.853 0.359 . . . . 0.64 110.415 178.215 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.501 ' O ' ' HG3' ' A' ' 33' ' ' ARG . . . -71.88 172.9 45.68 Favored Glycine 0 N--CA 1.445 -0.758 0 CA-C-N 115.713 -0.676 . . . . 1.54 112.414 179.331 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.575 ' O ' ' HG2' ' A' ' 34' ' ' GLN . 86.3 t90 -51.0 -50.07 59.22 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 122.765 0.426 . . . . 1.18 111.757 -176.727 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 1.1 mm -55.6 -53.1 40.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 N-CA-C 112.137 0.421 . . . . 2.16 112.137 -179.082 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.535 ' O ' HG13 ' A' ' 36' ' ' ILE . 45.6 mmm -56.92 -41.46 78.21 Favored 'General case' 0 CA--C 1.51 -0.578 0 CA-C-N 116.446 -0.343 . . . . 0.97 111.134 179.013 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.572 ' O ' ' HG3' ' A' ' 37' ' ' LYS . 75.7 mtm-85 -64.23 -31.03 72.07 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 120.922 -0.311 . . . . 1.87 110.513 179.632 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.575 ' HG2' ' O ' ' A' ' 30' ' ' TRP . 27.4 mm-40 -67.15 -24.61 65.91 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.246 0.546 . . . . 1.97 109.999 178.838 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 72.1 t -86.12 -65.72 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 115.594 -0.73 . . . . 0.68 110.536 174.647 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.629 ' HA ' ' H9 ' ' A' 1001 ' ' OLA . 57.3 mt -47.05 -55.0 2.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 N-CA-C 114.673 1.36 . . . . 0.51 114.673 -173.294 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.572 ' HG3' ' O ' ' A' ' 33' ' ' ARG . 0.0 OUTLIER -88.86 18.02 5.16 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 119.628 -0.829 . . . . 0.97 112.124 -174.181 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.522 ' C ' HD13 ' A' ' 38' ' ' LEU . 2.3 tm? -119.68 -41.09 2.71 Favored 'General case' 0 N--CA 1.442 -0.835 0 N-CA-C 109.345 -0.613 . . . . 2.08 109.345 178.343 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -54.34 141.18 31.07 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 115.923 -0.58 . . . . 1.03 112.236 -179.343 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -78.18 141.23 24.79 Favored Glycine 0 N--CA 1.449 -0.472 0 CA-C-N 115.728 -0.669 . . . . 0.84 111.87 176.772 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.512 ' HB ' HD12 ' A' ' 13' ' ' LEU . 37.7 t -126.66 128.91 71.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 120.906 0.384 . . . . 1.3 110.757 -176.277 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.438 ' HB ' ' HB2' ' A' ' 61' ' ' LEU . 19.3 m -114.91 113.66 24.46 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.749 -0.66 . . . . 0.45 109.659 175.838 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.464 ' HG3' ' HE2' ' A' ' 58' ' ' MET . 17.2 ttmt -107.49 137.36 45.66 Favored 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 121.068 -0.253 . . . . 0.79 110.571 -174.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.562 ' HG2' ' OG1' ' A' ' 10' ' ' THR . 27.0 mtpp -134.0 143.14 47.95 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 116.571 -0.286 . . . . 1.96 111.629 -173.839 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.522 ' CE2' ' HG3' ' A' ' 58' ' ' MET . 44.6 m-85 -130.85 129.11 41.91 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.844 -0.616 . . . . 0.54 109.539 171.676 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.446 ' HG3' ' HB3' ' A' ' 57' ' ' ASP . 2.5 ptp180 -152.59 176.07 12.1 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 120.786 0.327 . . . . 3.17 110.694 178.788 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 15.1 m120 -57.89 162.56 3.18 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.744 -0.662 . . . . 1.85 109.543 170.661 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.469 ' HB1' ' OD1' ' A' ' 71' ' ' ASP . . . -60.04 161.76 6.42 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.947 0.404 . . . . 0.87 111.842 -176.281 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -45.89 -63.12 1.05 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.142 -0.935 . . . . 1.48 112.716 -177.504 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 32.0 t -69.96 -33.5 72.19 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.235 0.54 . . . . 2.37 109.58 179.763 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 114.13 32.23 2.06 Favored Glycine 0 N--CA 1.45 -0.385 0 CA-C-N 115.602 -0.726 . . . . 1.91 113.305 171.837 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 5.3 mptp? -78.95 136.05 58.42 Favored Pre-proline 0 C--N 1.324 -0.526 0 CA-C-N 116.755 0.278 . . . . 3.17 110.35 177.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 33.2 Cg_endo -65.92 157.01 61.44 Favored 'Trans proline' 0 CA--C 1.528 0.208 0 C-N-CA 122.896 2.397 . . . . 1.84 111.994 177.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 59.39 13.66 3.31 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-O 121.734 0.778 . . . . 2.44 110.586 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 95.4 mtt180 -135.86 130.53 34.04 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 114.326 -1.306 . . . . 4.1 107.728 172.643 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.574 ' CE1' ' HB2' ' A' ' 3' ' ' LEU . 84.2 m-85 -129.07 170.61 13.29 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-O 121.349 0.595 . . . . 0.97 112.313 -173.695 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.446 ' HB3' ' HG3' ' A' ' 46' ' ' ARG . 8.6 t70 -126.65 141.76 51.75 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 114.912 -1.04 . . . . 1.1 109.084 -179.425 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.538 ' HG2' ' O ' ' A' ' 44' ' ' LYS . 2.0 tmt? -151.11 149.86 30.0 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 109.151 -0.685 . . . . 0.98 109.151 -177.595 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -152.73 156.0 38.31 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.166 0.508 . . . . 1.11 111.89 -177.362 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -122.75 85.51 2.43 Favored 'General case' 0 CA--C 1.519 -0.216 0 N-CA-C 108.053 -1.092 . . . . 1.17 108.053 -178.705 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.502 HD23 ' HB3' ' A' ' 66' ' ' ASP . 87.6 mt -77.81 132.0 37.84 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 120.584 0.231 . . . . 1.67 110.601 -177.489 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.45 HG21 ' H72' ' A' 1001 ' ' OLA . 17.4 p -135.22 -153.93 0.55 Allowed 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.882 -0.414 . . . . 0.45 109.882 -177.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 62.0 p -106.16 -28.05 10.7 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.169 0.509 . . . . 0.54 110.676 178.132 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 43.6 mmtm -102.07 -31.74 10.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.73 -0.668 . . . . 2.24 112.293 -170.435 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.58 ' O ' HD12 ' A' ' 83' ' ' LEU . 55.1 tptt -165.29 133.11 3.08 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 109.448 -0.575 . . . . 1.82 109.448 -175.543 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.502 ' HB3' HD23 ' A' ' 61' ' ' LEU . 10.7 m-20 -113.98 125.23 53.79 Favored 'General case' 0 C--N 1.318 -0.762 0 C-N-CA 120.52 -0.472 . . . . 2.12 110.877 -177.601 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.62 HG23 HD13 ' A' ' 83' ' ' LEU . 3.3 p -87.86 149.57 24.04 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 109.386 -0.598 . . . . 0.56 109.386 175.864 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.47 ' CD2' ' HB3' ' A' ' 70' ' ' LYS . 4.4 t-160 -137.16 88.64 2.37 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-O 121.263 0.554 . . . . 1.95 109.625 175.544 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.479 ' HD2' ' SD ' ' A' ' 58' ' ' MET . 7.2 m-70 -77.73 83.51 4.09 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 108.4 -0.963 . . . . 0.39 108.4 176.698 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.47 ' HB3' ' CD2' ' A' ' 68' ' ' HIS . 1.5 ptmm? -98.11 134.52 41.07 Favored 'General case' 0 C--N 1.314 -0.943 0 CA-C-N 116.04 -0.527 . . . . 2.3 112.252 -175.206 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.469 ' OD1' ' HB1' ' A' ' 48' ' ' ALA . 20.1 m-20 62.68 62.66 1.07 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 114.848 -1.069 . . . . 2.07 111.432 175.159 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 66.3 p-90 -119.45 159.87 23.44 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.169 0.509 . . . . 0.43 110.59 177.009 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.534 ' O ' ' HB3' ' A' ' 76' ' ' GLU . . . -127.76 154.07 45.8 Favored 'General case' 0 C--N 1.313 -0.995 0 N-CA-C 109.151 -0.685 . . . . 0.55 109.151 171.35 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.672 HD13 ' H ' ' A' ' 74' ' ' LEU . 0.0 OUTLIER -63.55 143.85 57.48 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.561 0.696 . . . . 1.71 110.396 174.345 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 81.08 2.05 90.27 Favored Glycine 0 C--N 1.317 -0.506 0 CA-C-N 115.426 -0.806 . . . . 0.59 111.687 -171.605 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.534 ' HB3' ' O ' ' A' ' 73' ' ' ALA . 42.1 tt0 -113.61 158.42 20.84 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.737 0.303 . . . . 2.37 110.215 -177.173 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.4 ' HA ' ' HA ' ' A' ' 91' ' ' THR . 3.4 pt-20 -140.76 145.38 36.31 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 108.907 -0.775 . . . . 1.4 108.907 -176.45 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.471 ' CZ ' ' HB3' ' A' ' 69' ' ' HIS . 19.6 p90 -144.55 163.6 33.4 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 116.641 -0.254 . . . . 0.57 111.372 -174.592 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -82.02 143.95 31.21 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 108.536 -0.913 . . . . 1.95 108.536 171.625 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.448 ' HB3' HD12 ' A' ' 90' ' ' ILE . 11.1 t70 -146.41 159.78 42.94 Favored 'General case' 0 C--O 1.248 0.985 0 N-CA-C 112.544 0.572 . . . . 1.26 112.544 -173.02 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 41.2 mm-40 -90.52 75.61 6.7 Favored 'General case' 0 C--N 1.343 0.314 0 CA-C-N 114.68 -1.145 . . . . 2.13 109.317 179.402 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.07 148.54 35.39 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-N 115.613 -0.721 . . . . 0.95 112.877 -169.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.67 HD22 ' H ' ' A' ' 83' ' ' LEU . 1.5 mm? -52.51 -29.12 23.52 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 115.304 -0.862 . . . . 1.34 110.244 177.263 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.509 ' CA ' H141 ' A' 1001 ' ' OLA . 31.1 t70 -72.49 5.78 2.79 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 114.497 -1.229 . . . . 1.55 111.705 -175.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 40.3 m 68.52 22.06 7.86 Favored 'General case' 0 N--CA 1.464 0.243 0 C-N-CA 123.038 0.535 . . . . 1.21 110.474 179.308 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 3.0 p -119.7 162.13 19.54 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.761 -0.654 . . . . 0.93 111.274 -178.497 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 14.7 mm-40 -109.6 109.63 20.45 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 108.938 -0.764 . . . . 1.88 108.938 -179.616 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' HIS . . . . . 0.533 ' CB ' ' HA ' ' A' ' 106' ' ' LYS . 25.7 p80 -154.49 176.97 11.71 Favored 'General case' 0 C--N 1.318 -0.784 0 C-N-CA 119.007 -1.077 . . . . 1.04 112.599 -177.704 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 26.6 ttpp -81.54 148.17 29.28 Favored 'General case' 0 N--CA 1.444 -0.757 0 CA-C-N 114.772 -1.104 . . . . 1.49 110.639 -174.415 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.448 HD12 ' HB3' ' A' ' 80' ' ' ASP . 56.0 mt -142.0 129.44 20.53 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.835 0 CA-C-N 115.018 -0.992 . . . . 0.54 109.542 177.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.4 ' HA ' ' HA ' ' A' ' 77' ' ' GLU . 20.9 m -114.49 140.32 48.83 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 116.125 -0.488 . . . . 0.43 110.788 -177.469 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.493 ' CD2' HD21 ' A' ' 100' ' ' LEU . 10.2 m-85 -114.61 131.06 56.83 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 108.802 -0.814 . . . . 0.6 108.802 173.8 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -148.48 136.96 21.36 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 120.898 0.38 . . . . 1.69 110.854 -178.388 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -89.21 108.66 19.74 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 108.905 -0.776 . . . . 1.12 108.905 175.67 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 48.9 tptt -86.0 -54.07 4.71 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.158 -0.682 . . . . 3.03 109.158 -173.534 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.409 ' C ' ' H ' ' A' ' 98' ' ' ASN . 13.2 m-20 -121.68 163.86 28.39 Favored Pre-proline 0 C--N 1.319 -0.737 0 N-CA-C 107.995 -1.113 . . . . 1.79 107.995 174.778 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_exo -67.42 5.33 0.96 Allowed 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 122.981 2.454 . . . . 0.98 112.374 -177.095 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' ASN . . . . . 0.409 ' H ' ' C ' ' A' ' 96' ' ' ASP . 9.4 p30 -144.86 19.86 1.63 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.498 -0.774 . . . . 2.32 110.07 179.046 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 24.7 m -145.85 109.82 4.89 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-O 120.995 0.426 . . . . 0.56 111.673 -178.592 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.499 HD23 ' N ' ' A' ' 101' ' ' THR . 7.1 tt -98.54 140.89 32.1 Favored 'General case' 0 C--O 1.217 -0.61 0 N-CA-C 108.449 -0.945 . . . . 1.1 108.449 175.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.499 ' N ' HD23 ' A' ' 100' ' ' LEU . 12.0 p -118.79 132.91 56.14 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 118.777 0.717 . . . . 0.41 111.397 179.342 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 58.6 tt0 -113.66 105.77 13.72 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.681 -0.69 . . . . 1.31 109.48 177.082 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 12.8 m -102.63 114.41 28.61 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.035 0.445 . . . . 0.51 111.281 -175.089 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' HIS . . . . . 0.52 ' HB2' ' HB3' ' A' ' 114' ' ' GLU . 11.9 m170 -95.63 119.33 33.94 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.423 -0.584 . . . . 1.69 109.423 177.721 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.513 ' O ' ' HB2' ' A' ' 88' ' ' HIS . 42.2 mt -120.39 119.2 59.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-O 121.201 0.524 . . . . 0.75 111.046 174.424 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.562 ' HB3' ' OD2' ' A' ' 108' ' ' ASP . 94.0 mttt -67.2 108.44 2.7 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.202 -0.908 . . . . 1.61 111.23 177.623 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 28.6 m -59.53 -21.53 21.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.001 -1.0 . . . . 1.32 112.661 -178.408 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' ASP . . . . . 0.562 ' OD2' ' HB3' ' A' ' 106' ' ' LYS . 17.6 p-10 -80.43 -40.59 26.08 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.829 0.347 . . . . 2.5 110.45 -179.533 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -150.21 95.05 3.64 Favored Pre-proline 0 C--N 1.325 -0.489 0 N-CA-C 109.289 -0.634 . . . . 2.39 109.289 177.637 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_endo -72.55 11.21 0.84 Allowed 'Trans proline' 0 C--O 1.233 0.261 0 C-N-CA 123.412 2.742 . . . . 0.9 112.439 -176.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 34.5 p -75.03 -24.82 58.37 Favored 'General case' 0 N--CA 1.447 -0.6 0 N-CA-C 109.003 -0.739 . . . . 1.47 109.003 173.063 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -112.63 119.2 37.29 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 115.038 -0.983 . . . . 1.59 109.512 174.627 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.442 ' CG1' HG12 ' A' ' 105' ' ' ILE . 32.9 m -131.13 -166.78 0.49 Allowed 'Isoleucine or valine' 0 N--CA 1.433 -1.306 0 N-CA-C 108.269 -1.011 . . . . 1.6 108.269 178.268 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.52 ' HB3' ' HB2' ' A' ' 104' ' ' HIS . 43.6 tt0 -173.67 123.07 0.35 Allowed 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 118.149 0.431 . . . . 2.78 110.259 -172.359 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 4.2 m -127.67 132.82 49.64 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.207 0.527 . . . . 0.53 112.298 -173.384 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 8.3 m-85 -106.08 165.87 10.91 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 107.427 -1.323 . . . . 0.96 107.427 168.448 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' GLU . . . . . 0.523 ' HG2' ' O ' ' A' ' 128' ' ' LYS . 12.8 pt-20 -146.53 124.9 12.3 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 107.865 -1.161 . . . . 1.27 107.865 167.431 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 118' ' ' TYR . . . . . 0.497 ' HB2' ' HB3' ' A' ' 100' ' ' LEU . 15.5 m-85 -93.91 112.56 24.43 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.304 -0.862 . . . . 0.6 111.148 -170.837 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 59.3 mtt180 -120.95 142.34 49.84 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 108.639 -0.875 . . . . 3.41 108.639 174.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.99 146.69 25.25 Favored 'General case' 0 C--N 1.32 -0.695 0 C-N-CA 120.347 -0.541 . . . . 1.96 111.046 -177.435 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -136.97 68.09 1.43 Allowed 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.432 -0.804 . . . . 1.08 108.925 173.364 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 77.0 -110.49 3.03 Favored Glycine 0 N--CA 1.447 -0.594 0 CA-C-N 115.412 -0.813 . . . . 0.92 112.261 -178.667 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -93.12 8.76 38.8 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.158 0.504 . . . . 2.31 110.319 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 124' ' ' TYR . . . . . 0.572 ' CE2' ' HE3' ' A' ' 141' ' ' LYS . 97.8 m-85 -116.24 126.65 53.89 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.518 -0.765 . . . . 0.67 110.946 -179.428 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -88.97 120.88 30.78 Favored 'General case' 0 C--N 1.316 -0.857 0 N-CA-C 106.699 -1.593 . . . . 1.03 106.699 166.429 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 13.8 t -102.02 106.21 19.36 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.211 0 CA-C-O 121.454 0.645 . . . . 0.47 109.405 -173.089 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 127' ' ' MET . . . . . . . . . . . . . 6.6 ttm -81.1 120.36 24.74 Favored 'General case' 0 C--N 1.313 -0.983 0 CA-C-N 114.698 -1.137 . . . . 1.08 109.791 178.657 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 128' ' ' LYS . . . . . 0.523 ' O ' ' HG2' ' A' ' 117' ' ' GLU . 23.3 tptm -116.46 116.35 27.5 Favored 'General case' 0 C--N 1.314 -0.971 0 N-CA-C 108.831 -0.803 . . . . 2.2 108.831 179.568 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 129' ' ' MET . . . . . 0.41 ' CG ' HG23 ' A' ' 136' ' ' THR . 4.6 ptm -135.85 146.83 47.88 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-N 115.622 -0.717 . . . . 1.11 109.341 -176.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 10.4 p -147.46 137.67 23.12 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.067 0.46 . . . . 1.06 111.818 -174.483 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 131' ' ' TRP . . . . . 0.472 ' CD1' ' HG3' ' A' ' 132' ' ' LYS . 43.0 t-105 -145.27 131.06 19.04 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.486 -0.779 . . . . 0.76 109.778 176.312 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 132' ' ' LYS . . . . . 0.472 ' HG3' ' CD1' ' A' ' 131' ' ' TRP . 68.2 mttm 52.31 41.75 30.63 Favored 'General case' 0 C--N 1.329 -0.326 0 O-C-N 123.624 0.578 . . . . 1.96 111.138 -177.514 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 80.78 -23.12 4.45 Favored Glycine 0 CA--C 1.521 0.448 0 C-N-CA 120.963 -0.637 . . . . 0.53 112.982 179.807 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 13.4 t -69.69 102.96 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 N-CA-C 109.696 -0.483 . . . . 0.43 109.696 -179.159 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 1.9 m -99.8 139.47 35.43 Favored 'General case' 0 N--CA 1.433 -1.31 0 CA-C-N 115.85 -0.614 . . . . 1.14 110.517 -178.811 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 136' ' ' THR . . . . . 0.41 HG23 ' CG ' ' A' ' 129' ' ' MET . 3.3 t -138.07 140.22 39.92 Favored 'General case' 0 C--N 1.309 -1.168 0 CA-C-N 115.4 -0.818 . . . . 0.4 110.747 -179.325 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 17.0 m -116.61 109.24 16.96 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.59 -0.732 . . . . 0.79 109.649 176.883 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 138' ' ' ARG . . . . . 0.548 ' HE ' ' HB3' ' A' ' 16' ' ' ASP . 20.7 ttm180 -99.51 125.64 45.31 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.153 -0.476 . . . . 1.84 110.1 178.79 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 94.9 m-85 -97.29 110.5 23.04 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.238 0.542 . . . . 0.64 111.085 -173.375 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 52.3 m-85 -94.01 119.36 32.78 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.345 -0.843 . . . . 0.6 109.688 178.228 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 141' ' ' LYS . . . . . 0.572 ' HE3' ' CE2' ' A' ' 124' ' ' TYR . 1.5 tppp? -102.55 127.23 49.71 Favored 'General case' 0 C--O 1.207 -1.137 0 N-CA-C 108.193 -1.039 . . . . 1.92 108.193 -175.415 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 142' ' ' LYS . . . . . 0.677 ' HA ' ' HA ' ' A' ' 11' ' ' PHE . 84.2 tttt -38.63 158.54 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 124.645 1.178 . . . . 2.13 113.906 -172.788 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 143' ' ' GLN . . . . . 0.586 ' HB2' HG23 ' A' ' 10' ' ' THR . 7.3 mt-30 . . . . . 0 C--O 1.247 0.946 0 O-C-N 120.9 -1.125 . . . . 1.46 110.598 164.145 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1001 ' ' OLA . . . . . 0.629 ' H9 ' ' HA ' ' A' ' 36' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' -11' ' ' MET . . . . . . . . . . . . . 49.3 tpp . . . . . 0 N--CA 1.481 1.077 0 CA-C-O 120.731 0.301 . . . . 14.47 110.268 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' -10' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 55.22 68.21 0.9 Allowed 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 121.34 0.591 . . . . 15.82 110.579 -177.499 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' -9' ' ' GLY . . . . . . . . . . . . . . . 162.05 128.14 0.93 Allowed Glycine 0 N--CA 1.446 -0.689 0 CA-C-N 115.627 -0.715 . . . . 11.88 111.908 -179.224 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' -8' ' ' SER . . . . . . . . . . . . . 19.5 t -91.35 -38.71 12.45 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.127 0.489 . . . . 11.68 109.964 179.152 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' -7' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -75.36 133.8 41.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.945 -0.57 . . . . 11.79 110.797 178.683 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' -6' ' ' HIS . . . . . . . . . . . . . 47.6 t-80 -130.9 66.54 1.53 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.147 0.498 . . . . 10.98 110.011 179.501 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' -5' ' ' HIS . . . . . . . . . . . . . 12.0 p80 -162.59 53.34 0.2 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.381 0.61 . . . . 9.31 110.845 -179.227 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' -4' ' ' HIS . . . . . . . . . . . . . 36.4 p-80 -75.44 -8.77 57.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.036 -0.529 . . . . 10.54 111.336 -178.312 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' -3' ' ' HIS . . . . . . . . . . . . . 14.5 t-80 -163.12 -39.95 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.661 -0.496 . . . . 8.73 109.661 171.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 9.9 m170 -79.97 62.79 4.29 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.973 -0.558 . . . . 7.06 110.067 175.329 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 149.68 93.44 0.11 Allowed Glycine 0 N--CA 1.445 -0.721 0 N-CA-C 111.321 -0.712 . . . . 3.5 111.321 -177.901 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 0' ' ' SER . . . . . 0.626 ' HB2' ' HB3' ' A' ' 74' ' ' LEU . 7.8 m -87.95 -168.33 2.18 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 121.313 0.577 . . . . 3.11 111.562 -175.759 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -76.49 -170.61 1.56 Allowed 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.378 -0.828 . . . . 2.99 109.938 175.343 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 38.7 m -86.72 142.16 28.38 Favored 'General case' 0 C--N 1.313 -0.994 0 N-CA-C 108.186 -1.042 . . . . 0.99 108.186 168.303 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.614 HD23 ' HD2' ' A' ' 4' ' ' PRO . 0.2 OUTLIER -59.43 116.48 16.52 Favored Pre-proline 0 C--N 1.327 -0.377 0 O-C-N 123.335 0.397 . . . . 0.59 110.78 -175.382 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.614 ' HD2' HD23 ' A' ' 3' ' ' LEU . 52.5 Cg_exo -54.29 126.26 21.58 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.793 2.329 . . . . 0.61 111.01 175.511 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -56.68 -22.53 35.42 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.879 -0.601 . . . . 2.19 112.529 -174.198 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 14.9 mmmm -63.8 -21.55 66.48 Favored 'General case' 0 N--CA 1.463 0.185 0 N-CA-C 111.854 0.316 . . . . 2.53 111.854 177.01 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -92.19 0.43 57.46 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 121.171 -0.212 . . . . 0.6 110.901 -178.427 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.556 HD23 ' HB3' ' A' ' 45' ' ' PHE . 96.2 mt -96.25 152.28 18.72 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.308 0.575 . . . . 0.46 111.745 -174.534 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 125.18 168.11 12.69 Favored Glycine 0 N--CA 1.444 -0.79 0 CA-C-N 115.222 -0.899 . . . . 0.52 112.027 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.531 HG23 ' HG2' ' A' ' 44' ' ' LYS . 93.2 m -96.62 120.41 36.89 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.572 -0.529 . . . . 1.05 109.572 175.261 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.463 ' HA ' ' HA ' ' A' ' 142' ' ' LYS . 51.0 m-85 -112.81 129.89 56.28 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.226 -0.443 . . . . 0.47 111.193 -174.347 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.718 ' HB3' ' NE2' ' A' ' 143' ' ' GLN . 21.9 ptmt -95.07 130.95 41.56 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 120.181 -0.608 . . . . 2.19 111.021 170.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.45 HD23 ' N ' ' A' ' 14' ' ' GLU . 4.9 tt -62.45 129.15 39.36 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-N 116.045 -0.525 . . . . 1.14 110.665 177.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.45 ' N ' HD23 ' A' ' 13' ' ' LEU . 32.6 tt0 -102.85 -52.47 3.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.148 -0.478 . . . . 2.08 110.786 176.543 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 24.7 ptt-85 -153.59 175.24 13.44 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.204 -0.453 . . . . 3.36 110.299 -172.626 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -166.02 175.96 8.12 Favored 'General case' 0 C--N 1.329 -0.308 0 O-C-N 122.965 0.166 . . . . 1.19 110.877 -179.388 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -149.05 132.34 16.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.182 -0.463 . . . . 2.66 111.168 -176.376 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 63.3 t30 71.21 23.5 4.06 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-O 121.59 0.71 . . . . 0.76 111.394 171.667 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 52.0 t80 -73.15 -40.21 65.06 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.788 -0.642 . . . . 0.49 111.175 -175.56 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.58 ' OD1' ' HE3' ' A' ' 24' ' ' LYS . 20.6 t70 -59.64 -48.85 80.05 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.849 0.357 . . . . 2.04 110.835 179.73 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 52.0 mm-40 -58.12 -38.09 75.84 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 115.986 -0.552 . . . . 1.79 110.935 178.752 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 77.4 t80 -59.24 -41.04 87.8 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 120.878 0.371 . . . . 0.57 110.655 174.816 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 85.2 mt -63.97 -40.23 95.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.253 -0.431 . . . . 0.37 110.355 -178.355 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.58 ' HE3' ' OD1' ' A' ' 20' ' ' ASP . 97.0 mttt -62.78 -46.22 89.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.025 -0.534 . . . . 1.88 110.438 178.241 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.03 -40.44 85.03 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.305 -0.861 . . . . 0.44 111.094 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 13.8 mmm180 -73.74 -8.04 54.45 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.916 -0.584 . . . . 1.29 111.773 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 96.68 12.82 49.39 Favored Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 120.475 -0.869 . . . . 0.62 112.782 175.58 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 63.3 m-85 -81.31 125.37 30.27 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.927 0.394 . . . . 0.64 110.605 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -75.23 -178.92 43.1 Favored Glycine 0 N--CA 1.447 -0.581 0 CA-C-N 115.565 -0.743 . . . . 1.54 112.982 -178.619 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.549 ' O ' ' HG2' ' A' ' 34' ' ' GLN . 84.1 t90 -53.59 -49.11 68.46 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 123.14 0.576 . . . . 1.18 111.52 -176.592 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.412 HD13 ' HA ' ' A' ' 31' ' ' ILE . 1.3 mm -56.06 -50.92 67.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 120.822 0.344 . . . . 2.16 111.37 179.037 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.531 ' O ' HG13 ' A' ' 36' ' ' ILE . 0.1 OUTLIER -57.07 -43.5 82.17 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.936 -0.575 . . . . 0.97 110.345 177.66 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 48.4 mtm105 -64.48 -23.19 67.19 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.541 -0.299 . . . . 1.87 111.234 178.654 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.549 ' HG2' ' O ' ' A' ' 30' ' ' TRP . 30.3 mm-40 -78.09 -31.26 50.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.777 0.322 . . . . 1.97 110.631 177.007 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.446 ' CG1' ' HG3' ' A' ' 64' ' ' LYS . 95.8 t -88.6 -65.14 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.674 0 CA-C-O 120.838 0.352 . . . . 0.68 111.158 -178.517 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.643 ' HA ' ' H9 ' ' A' 1001 ' ' OLA . 28.5 mt -47.11 -46.67 8.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 C-N-CA 124.007 0.923 . . . . 0.51 113.191 -177.545 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -75.19 -18.44 60.16 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.978 0.418 . . . . 0.97 111.66 -173.107 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.545 HD23 ' O ' ' A' ' 34' ' ' GLN . 4.0 mm? -104.66 1.77 29.83 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.901 0.382 . . . . 2.08 111.141 -176.596 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -84.09 126.67 33.31 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.156 -0.475 . . . . 1.03 110.844 179.58 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.402 ' O ' ' HA ' ' A' ' 62' ' ' THR . . . -75.57 142.65 29.27 Favored Glycine 0 N--CA 1.448 -0.549 0 N-CA-C 110.965 -0.854 . . . . 0.84 110.965 173.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.569 HG21 ' H31' ' A' 1001 ' ' OLA . 15.4 t -128.79 133.01 67.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-O 121.216 0.532 . . . . 1.3 111.73 -170.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 27.2 m -117.06 114.34 23.6 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.446 -0.797 . . . . 0.45 110.132 174.555 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.481 ' HZ2' HG11 ' A' ' 41' ' ' VAL . 44.1 mmtm -90.28 135.22 33.81 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.566 -0.531 . . . . 0.79 109.566 178.251 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.531 ' HG2' HG23 ' A' ' 10' ' ' THR . 56.6 mtpt -129.29 102.27 6.36 Favored 'General case' 0 C--N 1.322 -0.622 0 C-N-CA 121.13 -0.228 . . . . 1.96 111.344 -177.06 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.556 ' HB3' HD23 ' A' ' 8' ' ' LEU . 59.0 m-85 -100.39 121.74 42.01 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.521 -0.548 . . . . 0.54 109.521 174.712 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.458 ' HG3' ' HB3' ' A' ' 57' ' ' ASP . 14.0 ptm180 -149.98 159.89 44.04 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 116.289 -0.414 . . . . 3.17 110.345 -179.192 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.517 ' HA ' ' CD2' ' A' ' 56' ' ' TYR . 13.0 p30 -68.59 153.46 43.73 Favored 'General case' 0 C--N 1.316 -0.861 0 N-CA-C 108.682 -0.859 . . . . 1.85 108.682 171.596 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -48.99 130.79 18.75 Favored 'General case' 0 CA--C 1.518 -0.274 0 CA-C-O 121.625 0.726 . . . . 0.87 111.501 -173.066 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.63 -34.79 77.76 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 114.412 -1.267 . . . . 1.48 111.792 -170.316 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 17.0 m -76.62 17.54 0.39 Allowed 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 112.262 0.467 . . . . 2.37 112.262 179.269 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 68.68 23.08 75.56 Favored Glycine 0 CA--C 1.517 0.17 0 C-N-CA 120.997 -0.62 . . . . 1.91 112.798 177.711 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.408 ' HB2' ' HE3' ' A' ' 52' ' ' LYS . 38.5 ttmt -86.21 116.53 66.15 Favored Pre-proline 0 N--CA 1.447 -0.613 0 N-CA-C 110.467 -0.197 . . . . 3.17 110.467 -177.277 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_exo -60.96 147.06 96.75 Favored 'Trans proline' 0 C--O 1.237 0.429 0 C-N-CA 123.123 2.549 . . . . 1.84 113.467 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 20.5 t70 80.95 -54.97 0.31 Allowed 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 114.548 -1.205 . . . . 2.44 110.014 174.339 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 9.9 mpt_? -63.64 143.4 57.86 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.259 -0.882 . . . . 4.1 111.632 174.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.517 ' CD2' ' HA ' ' A' ' 47' ' ' ASN . 73.5 m-85 -119.66 176.35 5.42 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.667 -0.697 . . . . 0.97 110.958 179.067 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.458 ' HB3' ' HG3' ' A' ' 46' ' ' ARG . 15.5 t70 -133.31 134.28 43.65 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 108.361 -0.977 . . . . 1.1 108.361 178.401 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.431 ' HA ' ' O ' ' A' ' 44' ' ' LYS . 12.1 tpt -137.19 129.77 30.05 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.609 0.242 . . . . 0.98 111.382 -172.694 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.437 ' HG2' ' HA ' ' A' ' 68' ' ' HIS . 41.3 mt-10 -124.85 142.68 51.27 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.36 0.6 . . . . 1.11 111.651 178.858 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.447 ' ND2' ' HE3' ' A' ' 43' ' ' LYS . 0.9 OUTLIER -122.03 72.06 1.02 Allowed 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.305 -0.998 . . . . 1.17 108.305 176.601 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 93.8 mt -74.89 141.66 44.14 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.016 -0.538 . . . . 1.67 111.11 -173.79 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.511 HG21 ' H52' ' A' 1001 ' ' OLA . 43.0 p -139.69 -158.38 0.85 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.351 -0.386 . . . . 0.45 110.28 -178.215 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 65.0 p -96.5 -30.86 13.1 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.163 0.506 . . . . 0.54 111.254 -178.67 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.446 ' HG3' ' CG1' ' A' ' 35' ' ' VAL . 74.4 mmtt -110.01 -21.95 12.06 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.051 -0.522 . . . . 2.24 111.04 -175.187 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.516 ' HG3' ' O ' ' A' ' 83' ' ' LEU . 0.3 OUTLIER -135.77 -155.54 0.64 Allowed 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.094 -0.503 . . . . 1.82 110.795 -173.064 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 165.85 132.95 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.121 -0.945 . . . . 2.12 109.655 -168.83 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 37.8 p -126.5 143.63 51.13 Favored 'General case' 0 C--N 1.316 -0.888 0 N-CA-C 108.974 -0.751 . . . . 0.56 108.974 171.818 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.437 ' HA ' ' HG2' ' A' ' 59' ' ' GLU . 23.4 t-160 -136.88 87.71 2.31 Favored 'General case' 0 C--N 1.316 -0.881 0 N-CA-C 109.555 -0.535 . . . . 1.95 109.555 179.044 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.44 ' HD1' ' CG ' ' A' ' 80' ' ' ASP . 22.2 m-70 -75.26 80.16 2.37 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.259 -0.882 . . . . 0.39 109.928 -178.524 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.408 ' HA ' ' OD2' ' A' ' 57' ' ' ASP . 26.1 mtmt -70.87 122.37 19.81 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.829 0.677 . . . . 2.3 112.829 177.601 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 65.09 68.63 0.5 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.016 -0.993 . . . . 2.07 111.777 167.155 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' TRP . . . . . 0.405 ' HD1' ' O ' ' A' ' 69' ' ' HIS . 62.7 p-90 -114.1 140.74 48.24 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 120.845 0.355 . . . . 0.43 110.395 175.588 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.408 ' HB3' ' HB2' ' A' ' 76' ' ' GLU . . . -97.93 142.42 29.68 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 109.227 -0.657 . . . . 0.55 109.227 172.501 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.626 ' HB3' ' HB2' ' A' ' 0' ' ' SER . 3.4 mt -59.11 123.44 16.62 Favored 'General case' 0 C--N 1.311 -1.096 0 CA-C-O 121.202 0.525 . . . . 1.71 110.069 169.714 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.4 ' HA3' ' H ' ' A' ' 0' ' ' SER . . . 91.01 17.23 52.16 Favored Glycine 0 N--CA 1.448 -0.508 0 CA-C-N 115.722 -0.672 . . . . 0.59 112.397 -173.003 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.408 ' HB2' ' HB3' ' A' ' 73' ' ' ALA . 9.2 tp10 -113.32 154.75 26.35 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.163 0.506 . . . . 2.37 110.749 -178.644 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -127.6 106.16 8.97 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 108.045 -1.094 . . . . 1.4 108.045 -178.774 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 53.0 p90 -123.13 156.11 35.65 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 120.727 0.298 . . . . 0.57 111.522 -168.335 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 63.8 tt0 -79.39 141.88 36.49 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.471 -0.566 . . . . 1.95 109.471 175.613 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.44 ' CG ' ' HD1' ' A' ' 69' ' ' HIS . 23.5 t70 -151.96 158.6 43.35 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.545 -0.298 . . . . 1.26 111.533 -169.881 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -93.28 92.49 7.73 Favored 'General case' 0 CA--C 1.519 -0.229 0 N-CA-C 108.146 -1.057 . . . . 2.13 108.146 173.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -75.66 160.46 30.05 Favored 'General case' 0 C--N 1.312 -1.063 0 N-CA-C 113.671 0.989 . . . . 0.95 113.671 -166.528 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.516 ' O ' ' HG3' ' A' ' 65' ' ' LYS . 14.5 tp -60.74 -29.31 69.31 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 113.567 -1.651 . . . . 1.34 111.075 -177.378 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.573 ' HA ' H142 ' A' 1001 ' ' OLA . 7.0 p-10 -81.69 20.54 0.92 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.935 -0.575 . . . . 1.55 111.79 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 42.8 m 64.2 30.76 13.53 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 115.652 -0.704 . . . . 1.21 112.477 170.149 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 36.9 p -130.67 172.2 12.23 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 121.069 0.461 . . . . 0.93 110.163 176.893 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 12.5 mm100 -108.88 119.27 39.04 Favored 'General case' 0 C--N 1.317 -0.839 0 N-CA-C 108.226 -1.027 . . . . 1.88 108.226 176.378 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' HIS . . . . . 0.651 ' CB ' ' HA ' ' A' ' 106' ' ' LYS . 25.8 p80 -161.83 179.47 8.05 Favored 'General case' 0 C--N 1.32 -0.714 0 C-N-CA 120.345 -0.542 . . . . 1.04 111.713 178.684 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 61.8 pttt -88.96 154.92 19.84 Favored 'General case' 0 N--CA 1.442 -0.856 0 CA-C-N 115.663 -0.699 . . . . 1.49 110.499 -175.231 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 51.9 mt -142.37 129.25 19.11 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.007 0 CA-C-N 114.85 -1.068 . . . . 0.54 110.005 -177.821 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 1.3 m -105.15 133.17 50.37 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 115.975 -0.557 . . . . 0.43 110.832 -179.752 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -107.87 129.46 55.08 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 108.615 -0.883 . . . . 0.6 108.615 172.177 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -147.34 136.71 22.61 Favored 'General case' 0 C--N 1.315 -0.913 0 C-N-CA 121.11 -0.236 . . . . 1.69 110.395 -174.457 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.448 HD23 HD21 ' A' ' 74' ' ' LEU . 0.2 OUTLIER -90.46 109.62 20.75 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 108.693 -0.855 . . . . 1.12 108.693 175.66 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 33.8 tttm -79.86 -43.86 21.54 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.649 0.738 . . . . 3.03 109.522 -172.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -155.5 159.38 31.71 Favored Pre-proline 0 C--N 1.315 -0.913 0 N-CA-C 107.383 -1.34 . . . . 1.79 107.383 175.403 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 34.3 Cg_exo -60.81 4.06 0.24 Allowed 'Trans proline' 0 N--CA 1.476 0.478 0 C-N-CA 123.316 2.678 . . . . 0.98 114.668 -172.123 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' ASN . . . . . 0.403 ' O ' ' HA ' ' A' ' 119' ' ' ARG . 28.3 t-20 -124.99 -4.71 7.48 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.519 0.199 . . . . 2.32 110.901 177.595 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 70.3 m -141.59 117.41 10.45 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-O 121.511 0.672 . . . . 0.56 112.792 -176.844 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.608 HD23 ' N ' ' A' ' 101' ' ' THR . 7.4 tt -90.99 146.13 24.12 Favored 'General case' 0 C--O 1.222 -0.351 0 N-CA-C 108.189 -1.041 . . . . 1.1 108.189 172.47 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.608 ' N ' HD23 ' A' ' 100' ' ' LEU . 15.6 p -122.23 131.76 54.09 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 118.311 0.505 . . . . 0.41 111.316 178.251 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 56.2 tt0 -113.51 109.81 19.26 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.155 -0.683 . . . . 1.31 109.155 176.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 11.9 m -101.36 114.91 29.33 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.228 -0.442 . . . . 0.51 110.851 -175.019 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' HIS . . . . . 0.48 ' HE1' ' CE2' ' A' ' 116' ' ' TYR . 19.3 m170 -93.3 115.31 27.89 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.844 -0.428 . . . . 1.69 109.844 179.231 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.509 HG12 HG12 ' A' ' 113' ' ' VAL . 24.4 mt -122.13 117.9 53.76 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.321 0 CA-C-O 121.447 0.642 . . . . 0.75 111.338 179.161 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.651 ' HA ' ' CB ' ' A' ' 88' ' ' HIS . 98.2 mttt -66.41 118.35 9.93 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 115.34 -0.845 . . . . 1.61 111.58 178.172 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.472 ' H ' ' CB ' ' A' ' 88' ' ' HIS . 15.5 m -58.15 -22.88 20.35 Favored 'Isoleucine or valine' 0 C--O 1.233 0.205 0 CA-C-N 115.285 -0.87 . . . . 1.32 111.268 176.796 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -87.59 -50.16 6.7 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.847 -0.615 . . . . 2.5 110.531 177.473 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.587 ' O ' ' HB2' ' A' ' 106' ' ' LYS . 13.5 t70 -130.13 89.29 45.64 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.367 0.604 . . . . 2.39 110.111 -178.141 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -74.88 6.02 3.58 Favored 'Trans proline' 0 N--CA 1.462 -0.373 0 C-N-CA 123.221 2.614 . . . . 0.9 113.212 -177.63 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 18.1 p -94.12 -22.5 18.43 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.961 0.41 . . . . 1.47 110.859 176.897 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -93.53 53.54 1.89 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.512 0.672 . . . . 1.59 109.527 175.649 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.509 HG12 HG12 ' A' ' 105' ' ' ILE . 9.9 m -67.42 178.87 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.13 -0.941 . . . . 1.6 112.205 177.916 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -163.14 137.29 6.1 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.541 -0.754 . . . . 2.78 109.48 178.733 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 92.4 m -129.13 121.22 27.3 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.38 0.609 . . . . 0.53 111.935 -177.189 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' TYR . . . . . 0.48 ' CE2' ' HE1' ' A' ' 104' ' ' HIS . 11.1 m-30 -103.65 153.03 21.09 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 107.249 -1.389 . . . . 0.96 107.249 170.475 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 117' ' ' GLU . . . . . 0.493 ' HG2' HG22 ' A' ' 101' ' ' THR . 24.4 mt-10 -131.92 131.99 43.17 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 108.075 -1.083 . . . . 1.27 108.075 178.917 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 118' ' ' TYR . . . . . 0.477 ' HB2' ' HB3' ' A' ' 100' ' ' LEU . 80.9 m-85 -105.8 100.22 9.79 Favored 'General case' 0 C--N 1.314 -0.964 0 N-CA-C 109.935 -0.394 . . . . 0.6 109.935 -179.865 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 119' ' ' ARG . . . . . 0.415 ' NH1' ' HB2' ' A' ' 121' ' ' ASP . 0.0 OUTLIER -111.47 154.16 25.11 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 120.611 -0.435 . . . . 3.41 110.418 179.654 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 27.5 tpt180 -107.51 124.39 49.83 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.594 -0.276 . . . . 1.96 110.38 -175.673 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' ASP . . . . . 0.415 ' HB2' ' NH1' ' A' ' 119' ' ' ARG . 27.4 t70 -131.45 113.12 13.32 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 110.036 -0.357 . . . . 1.08 110.036 178.415 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 65.78 -113.35 5.69 Favored Glycine 0 N--CA 1.446 -0.658 0 N-CA-C 111.399 -0.681 . . . . 0.92 111.399 -177.299 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -116.06 11.62 15.38 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.88 0.371 . . . . 2.31 110.456 177.703 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 91.2 m-85 -111.72 141.96 44.66 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.27 0.557 . . . . 0.67 111.144 -179.36 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.428 HD21 ' HB3' ' A' ' 118' ' ' TYR . 3.1 tm? -82.67 115.69 21.72 Favored 'General case' 0 N--CA 1.445 -0.719 0 N-CA-C 106.749 -1.574 . . . . 1.03 106.749 168.749 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 60.3 t -103.09 107.75 22.8 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.96 0 CA-C-O 121.454 0.645 . . . . 0.47 109.723 -173.59 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 127' ' ' MET . . . . . 0.451 ' HB3' ' HB2' ' A' ' 138' ' ' ARG . 9.2 tpt -70.04 121.14 16.86 Favored 'General case' 0 N--CA 1.44 -0.926 0 CA-C-N 114.601 -1.181 . . . . 1.08 109.418 179.654 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 128' ' ' LYS . . . . . 0.444 ' HB3' ' HB2' ' A' ' 117' ' ' GLU . 25.9 tptp -118.35 88.7 2.97 Favored 'General case' 0 C--N 1.313 -0.984 0 CA-C-O 121.761 0.791 . . . . 2.2 109.149 -175.204 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 129' ' ' MET . . . . . 0.455 ' HB2' ' CG2' ' A' ' 136' ' ' THR . 42.5 mtp -103.91 135.66 45.01 Favored 'General case' 0 C--N 1.318 -0.801 0 N-CA-C 108.85 -0.796 . . . . 1.11 108.85 -178.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 130' ' ' SER . . . . . 0.534 ' HA ' ' O ' ' A' ' 134' ' ' VAL . 8.3 m -145.94 136.61 24.24 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.392 0.615 . . . . 1.06 111.531 -178.273 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 131' ' ' TRP . . . . . 0.519 ' CD1' ' HD3' ' A' ' 132' ' ' LYS . 61.2 t-105 -151.53 130.64 12.67 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 114.687 -1.142 . . . . 0.76 109.49 178.45 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 132' ' ' LYS . . . . . 0.519 ' HD3' ' CD1' ' A' ' 131' ' ' TRP . 6.1 mptp? 49.53 44.46 24.18 Favored 'General case' 0 C--N 1.332 -0.189 0 O-C-N 123.637 0.586 . . . . 1.96 111.753 -175.907 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 82.97 -18.12 18.23 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.932 -0.651 . . . . 0.53 113.512 177.34 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 134' ' ' VAL . . . . . 0.534 ' O ' ' HA ' ' A' ' 130' ' ' SER . 15.8 t -79.27 107.26 11.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.973 0.387 . . . . 0.43 110.466 -178.199 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -104.28 127.59 51.94 Favored 'General case' 0 N--CA 1.444 -0.734 0 CA-C-O 121.383 0.611 . . . . 1.14 111.487 178.088 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 136' ' ' THR . . . . . 0.455 ' CG2' ' HB2' ' A' ' 129' ' ' MET . 3.6 t -115.6 129.32 56.47 Favored 'General case' 0 C--N 1.314 -0.969 0 CA-C-N 115.261 -0.881 . . . . 0.4 109.909 177.771 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 137' ' ' SER . . . . . 0.441 ' HA ' ' O ' ' A' ' 127' ' ' MET . 22.6 m -107.99 113.05 25.95 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.981 -0.554 . . . . 0.79 109.785 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 138' ' ' ARG . . . . . 0.519 ' HD3' ' O1 ' ' A' 1001 ' ' OLA . 25.0 mtp180 -108.47 123.5 48.98 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 109.69 -0.485 . . . . 1.84 109.69 -178.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 75.9 m-85 -90.2 107.39 19.1 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-O 121.393 0.616 . . . . 0.64 110.857 -173.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 140' ' ' TYR . . . . . 0.416 ' CE1' ' HG2' ' A' ' 43' ' ' LYS . 65.2 m-85 -99.86 120.41 39.72 Favored 'General case' 0 N--CA 1.443 -0.799 0 CA-C-N 114.865 -1.061 . . . . 0.6 109.608 177.412 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 141' ' ' LYS . . . . . 0.57 ' HG3' ' O ' ' A' ' 142' ' ' LYS . 17.5 ptpt -95.37 162.36 13.7 Favored 'General case' 0 C--N 1.312 -1.058 0 N-CA-C 107.029 -1.471 . . . . 1.92 107.029 174.442 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 142' ' ' LYS . . . . . 0.57 ' O ' ' HG3' ' A' ' 141' ' ' LYS . 39.0 tttt -61.33 -178.95 0.14 Allowed 'General case' 0 C--N 1.312 -1.022 0 CA-C-N 118.816 0.734 . . . . 2.13 110.633 173.733 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 143' ' ' GLN . . . . . 0.718 ' NE2' ' HB3' ' A' ' 12' ' ' LYS . 65.4 mm-40 . . . . . 0 C--O 1.248 1.013 0 O-C-N 121.506 -0.746 . . . . 1.46 110.321 163.297 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1001 ' ' OLA . . . . . 0.643 ' H9 ' ' HA ' ' A' ' 36' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' -11' ' ' MET . . . . . . . . . . . . . 97.3 mmm . . . . . 0 N--CA 1.479 0.995 0 N-CA-C 110.083 -0.34 . . . . 14.47 110.083 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' -10' ' ' ARG . . . . . . . . . . . . . 18.1 tpp180 -157.27 -44.62 0.07 Allowed 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.097 -0.501 . . . . 15.82 110.251 -178.64 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' -9' ' ' GLY . . . . . . . . . . . . . . . 176.1 68.08 0.06 OUTLIER Glycine 0 N--CA 1.444 -0.778 0 C-N-CA 120.651 -0.785 . . . . 11.88 111.969 -179.101 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' -8' ' ' SER . . . . . . . . . . . . . 23.8 m -77.83 84.96 4.12 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.256 0.55 . . . . 11.68 109.988 178.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' -7' ' ' HIS . . . . . . . . . . . . . 31.9 m80 -74.18 96.15 2.71 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.452 -0.795 . . . . 11.79 110.719 -177.638 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' -6' ' ' HIS . . . . . . . . . . . . . 32.8 m170 -71.45 86.03 0.85 Allowed 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.434 -0.58 . . . . 10.98 109.434 176.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' -5' ' ' HIS . . . . . . . . . . . . . 33.6 p-80 -91.19 116.08 28.53 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.396 -0.82 . . . . 9.31 110.721 -176.095 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' -4' ' ' HIS . . . . . . . . . . . . . 8.2 p-80 -115.6 99.32 7.25 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.725 -0.67 . . . . 10.54 111.014 -178.291 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' -3' ' ' HIS . . . . . . . . . . . . . 63.3 m-70 -133.03 36.06 3.49 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.138 -0.69 . . . . 8.73 109.138 176.172 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 38.2 t-80 -111.12 21.97 15.77 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.083 -0.962 . . . . 7.06 109.459 -175.639 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 77.53 -56.57 3.77 Favored Glycine 0 N--CA 1.449 -0.441 0 N-CA-C 111.166 -0.773 . . . . 3.5 111.166 -174.093 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 20.1 m -151.37 137.05 17.92 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 109.054 -0.721 . . . . 3.11 109.054 174.607 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 3.2 ttmp? -65.33 137.51 57.57 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 108.154 -1.054 . . . . 2.99 108.154 171.041 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.742 ' HA ' ' OH ' ' A' ' 56' ' ' TYR . 0.7 OUTLIER -82.75 124.36 30.18 Favored 'General case' 0 C--N 1.315 -0.92 0 C-N-CA 119.853 -0.739 . . . . 0.99 110.763 -175.877 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.44 ' HA ' HD23 ' A' ' 3' ' ' LEU . 5.7 mt -57.12 126.99 75.3 Favored Pre-proline 0 C--N 1.323 -0.55 0 CA-C-N 115.018 -0.992 . . . . 0.59 111.489 179.471 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_exo -60.12 131.02 36.86 Favored 'Trans proline' 0 N--CA 1.455 -0.747 0 C-N-CA 122.475 2.117 . . . . 0.61 110.875 172.188 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -50.94 -26.22 5.65 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 115.647 -0.706 . . . . 2.19 111.771 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.412 ' O ' ' HD3' ' A' ' 120' ' ' ARG . 75.8 mmtt -57.76 -22.63 48.01 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.478 0.547 . . . . 2.53 112.478 176.842 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 23.8 m-85 -104.36 -1.56 26.71 Favored 'General case' 0 C--O 1.225 -0.215 0 O-C-N 121.639 -0.663 . . . . 0.6 110.74 178.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.568 HD23 ' HB3' ' A' ' 45' ' ' PHE . 95.6 mt -101.6 152.98 20.16 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.154 0.502 . . . . 0.46 111.703 -173.219 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 123.01 -117.75 3.36 Favored Glycine 0 N--CA 1.445 -0.737 0 CA-C-N 115.408 -0.815 . . . . 0.52 111.658 -179.34 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.56 ' O ' ' HD2' ' A' ' 142' ' ' LYS . 12.4 t -167.7 136.03 2.45 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.362 0.601 . . . . 1.05 110.111 178.54 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.45 ' HB3' ' HB3' ' A' ' 140' ' ' TYR . 67.0 m-85 -130.98 127.74 38.99 Favored 'General case' 0 C--N 1.311 -1.085 0 CA-C-N 115.547 -0.751 . . . . 0.47 111.711 -175.494 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.462 ' HB3' HE21 ' A' ' 143' ' ' GLN . 0.0 OUTLIER -95.9 135.93 36.99 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 120.139 -0.624 . . . . 2.19 109.419 169.66 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.424 ' HA ' ' HA ' ' A' ' 140' ' ' TYR . 6.7 tt -59.06 129.69 43.38 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.104 0.478 . . . . 1.14 111.157 -178.595 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -97.53 -52.59 3.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.864 -0.607 . . . . 2.08 110.143 -178.753 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 34.7 ptt-85 -154.9 175.82 13.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.798 0.332 . . . . 3.36 110.765 -176.777 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -149.4 158.11 43.89 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.19 -0.459 . . . . 1.19 110.549 179.491 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 37.3 mm-40 -136.14 123.6 22.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.31 -0.404 . . . . 2.66 111.019 -177.723 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 69.17 29.31 4.7 Favored 'General case' 0 N--CA 1.475 0.806 0 CA-C-O 121.797 0.808 . . . . 0.76 111.116 174.28 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 31.9 t80 -72.89 -42.42 63.6 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.374 -0.83 . . . . 0.49 110.888 -175.16 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -52.56 -57.04 11.24 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 116.126 -0.488 . . . . 2.04 111.521 176.836 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -56.14 -38.81 71.33 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 116.434 -0.348 . . . . 1.79 111.56 -179.703 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 60.2 t80 -58.82 -41.74 87.56 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 120.751 -0.38 . . . . 0.57 111.017 176.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 90.6 mt -65.8 -37.25 85.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.829 0.347 . . . . 0.37 110.883 -178.098 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 50.4 mtpt -64.87 -44.01 91.09 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.849 -0.614 . . . . 1.88 109.906 178.434 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.91 -40.36 84.3 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.285 -0.87 . . . . 0.44 110.893 176.054 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.498 ' NH1' ' HB2' ' A' ' 114' ' ' GLU . 16.6 mmm180 -65.11 -17.25 64.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.694 -0.685 . . . . 1.29 111.536 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 94.72 15.94 44.2 Favored Glycine 0 N--CA 1.443 -0.877 0 C-N-CA 120.597 -0.811 . . . . 0.62 112.258 -178.464 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 47.7 m-85 -84.11 125.58 32.27 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.889 0.376 . . . . 0.64 110.035 177.456 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.501 ' O ' ' HG3' ' A' ' 33' ' ' ARG . . . -77.6 -178.08 47.7 Favored Glycine 0 N--CA 1.443 -0.899 0 CA-C-N 115.659 -0.7 . . . . 1.54 111.856 179.651 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.568 ' O ' ' HG2' ' A' ' 34' ' ' GLN . 82.7 t90 -51.14 -49.94 59.86 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 111.918 0.34 . . . . 1.18 111.918 -175.894 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.419 HD13 ' HA ' ' A' ' 31' ' ' ILE . 1.6 mm -56.16 -55.5 18.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 N-CA-C 112.3 0.481 . . . . 2.16 112.3 -177.737 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.451 ' O ' HG13 ' A' ' 36' ' ' ILE . 54.9 mmm -57.52 -39.36 76.4 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 121.136 -0.226 . . . . 0.97 111.324 179.255 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.501 ' HG3' ' O ' ' A' ' 29' ' ' GLY . 61.1 mtm-85 -65.64 -26.38 67.79 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.815 -0.354 . . . . 1.87 110.628 179.23 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.568 ' HG2' ' O ' ' A' ' 30' ' ' TRP . 27.5 mm-40 -74.56 -26.43 59.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.078 0.466 . . . . 1.97 110.359 177.872 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.494 HG13 ' HE3' ' A' ' 64' ' ' LYS . 76.3 t -85.23 -65.17 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 120.942 0.401 . . . . 0.68 110.805 177.259 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.551 ' HA ' ' H9 ' ' A' 1001 ' ' OLA . 54.2 mt -47.62 -39.73 7.04 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.49 0 C-N-CA 124.003 0.921 . . . . 0.51 113.018 -178.007 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.432 ' HB2' ' O ' ' A' ' 33' ' ' ARG . 18.9 mtpp -72.64 -27.72 62.3 Favored 'General case' 0 N--CA 1.466 0.333 0 N-CA-C 112.388 0.514 . . . . 0.97 112.388 -179.003 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.553 HD23 ' O ' ' A' ' 34' ' ' GLN . 4.2 mm? -100.17 -1.57 36.25 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.839 0.352 . . . . 2.08 111.665 -173.022 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -84.13 115.6 22.48 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-O 120.876 0.37 . . . . 1.03 110.834 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.515 ' O ' ' HA ' ' A' ' 62' ' ' THR . . . -72.34 146.77 39.7 Favored Glycine 0 N--CA 1.447 -0.596 0 N-CA-C 110.802 -0.919 . . . . 0.84 110.802 174.859 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.794 ' HB ' HG22 ' A' ' 62' ' ' THR . 1.3 p -144.69 138.95 23.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-O 121.77 0.795 . . . . 1.3 112.365 -175.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 86.1 m -123.72 139.78 53.64 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 114.58 -1.191 . . . . 0.45 109.869 178.371 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.443 ' HE2' ' HE3' ' A' ' 127' ' ' MET . 40.6 mttp -117.65 135.0 54.29 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.916 0.389 . . . . 0.79 110.799 -179.631 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.444 ' HG2' ' OG1' ' A' ' 10' ' ' THR . 46.2 mtpt -132.28 120.13 21.73 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.179 -0.464 . . . . 1.96 110.823 -172.33 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.568 ' HB3' HD23 ' A' ' 8' ' ' LEU . 45.7 m-85 -113.14 133.98 54.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.307 -0.406 . . . . 0.54 110.635 -179.727 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.486 ' HG3' ' O ' ' A' ' 47' ' ' ASN . 6.9 ptp180 -156.08 166.01 34.73 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.691 0.281 . . . . 3.17 110.626 178.291 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.486 ' O ' ' HG3' ' A' ' 46' ' ' ARG . 54.0 m-80 -65.65 153.1 42.58 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 108.462 -0.94 . . . . 1.85 108.462 170.161 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.479 ' N ' ' HA ' ' A' ' 56' ' ' TYR . . . -47.96 133.73 14.31 Favored 'General case' 0 CA--C 1.515 -0.376 0 CA-C-O 121.656 0.741 . . . . 0.87 111.918 -173.176 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.47 -39.47 83.79 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 114.039 -1.437 . . . . 1.48 111.859 -173.224 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 50.8 m -79.43 12.15 2.61 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 112.211 0.449 . . . . 2.37 112.211 178.434 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 68.34 29.96 73.3 Favored Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 121.06 -0.591 . . . . 1.91 113.878 176.35 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.538 ' HD2' ' OD1' ' A' ' 71' ' ' ASP . 91.6 mttt -84.83 120.0 73.33 Favored Pre-proline 0 C--N 1.325 -0.491 0 CA-C-N 116.975 0.387 . . . . 3.17 110.077 177.018 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.459 ' O ' ' HB2' ' A' ' 54' ' ' ASP . 75.2 Cg_exo -55.26 142.71 78.29 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.963 2.442 . . . . 1.84 112.587 177.862 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.459 ' HB2' ' O ' ' A' ' 53' ' ' PRO . 48.6 m-20 84.22 -53.75 0.12 Allowed 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 114.932 -1.031 . . . . 2.44 110.199 176.735 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.44 ' HG2' ' HB2' ' A' ' 73' ' ' ALA . 74.5 mtt180 -66.13 152.78 44.02 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 112.744 0.646 . . . . 4.1 112.744 178.267 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.742 ' OH ' ' HA ' ' A' ' 2' ' ' THR . 28.6 m-85 -129.1 178.65 6.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.245 -0.888 . . . . 0.97 110.505 -178.562 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -131.54 135.72 47.27 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.377 -0.829 . . . . 1.1 108.877 174.691 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 8.0 tpt -138.51 131.83 30.25 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.508 0.194 . . . . 0.98 110.577 -176.327 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -127.09 146.26 50.44 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.267 0.556 . . . . 1.11 112.121 -175.773 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.478 ' HB2' ' OG1' ' A' ' 67' ' ' THR . 37.7 m-80 -123.75 101.58 7.36 Favored 'General case' 0 CA--C 1.515 -0.392 0 N-CA-C 108.353 -0.98 . . . . 1.17 108.353 172.899 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.54 ' O ' ' HA ' ' A' ' 41' ' ' VAL . 75.3 mt -97.12 112.5 24.25 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.86 -0.609 . . . . 1.67 110.903 -176.558 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.794 HG22 ' HB ' ' A' ' 41' ' ' VAL . 12.9 p -120.94 -170.7 2.05 Favored 'General case' 0 N--CA 1.445 -0.72 0 N-CA-C 109.243 -0.651 . . . . 0.45 109.243 178.498 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 43.0 p -90.15 -25.84 20.48 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-O 120.956 0.408 . . . . 0.54 111.038 -177.738 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.494 ' HE3' HG13 ' A' ' 35' ' ' VAL . 74.5 mmtt -104.11 -25.13 13.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 2.24 111.689 -172.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.432 ' HG2' ' O ' ' A' ' 82' ' ' ALA . 26.8 tptp -157.3 134.04 10.03 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.975 0.417 . . . . 1.82 110.751 178.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -106.23 134.65 49.03 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 109.445 -0.576 . . . . 2.12 109.445 175.173 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.48 HG22 ' O ' ' A' ' 81' ' ' GLU . 69.0 p -115.93 151.42 35.4 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 109.494 -0.558 . . . . 0.56 109.494 177.74 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 9.8 t-160 -145.05 96.72 2.9 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 109.625 -0.509 . . . . 1.95 109.625 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.439 ' HD1' ' CG ' ' A' ' 80' ' ' ASP . 6.5 m-70 -72.27 88.08 1.15 Allowed 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.603 -0.726 . . . . 0.39 109.092 178.137 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 84.5 mttt -77.65 117.83 19.44 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.263 -0.881 . . . . 2.3 112.409 -176.788 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.538 ' OD1' ' HD2' ' A' ' 52' ' ' LYS . 11.9 t70 61.75 60.18 1.64 Allowed 'General case' 0 C--O 1.235 0.336 0 O-C-N 123.809 0.693 . . . . 2.07 111.603 165.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 67.2 p-90 -108.2 145.62 33.97 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.399 -0.364 . . . . 0.43 110.513 -178.388 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.635 ' O ' ' HB2' ' A' ' 76' ' ' GLU . . . -106.04 143.76 33.71 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 110.159 -0.312 . . . . 0.55 110.159 176.603 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.568 HD11 HD23 ' A' ' 94' ' ' LEU . 4.7 tt -59.79 120.97 10.56 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.595 -0.52 . . . . 1.71 109.595 171.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 96.07 10.83 55.79 Favored Glycine 0 N--CA 1.45 -0.422 0 CA-C-N 115.84 -0.618 . . . . 0.59 112.284 -173.637 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.635 ' HB2' ' O ' ' A' ' 73' ' ' ALA . 7.6 mm-40 -110.06 160.01 16.82 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.266 0.555 . . . . 2.37 111.278 -177.87 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.455 ' OE2' ' HD2' ' A' ' 89' ' ' LYS . 30.9 tt0 -131.48 110.1 10.76 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 114.882 -1.054 . . . . 1.4 108.804 -175.677 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 46.4 p90 -130.23 161.13 31.88 Favored 'General case' 0 C--N 1.319 -0.717 0 CA-C-N 116.178 -0.464 . . . . 0.57 110.711 -170.883 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 -92.99 153.0 18.99 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.364 0.602 . . . . 1.95 110.738 174.719 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.501 ' HB3' HD12 ' A' ' 90' ' ' ILE . 8.9 t70 -154.71 153.94 32.09 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.374 -0.83 . . . . 1.26 110.434 -174.074 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.48 ' O ' HG22 ' A' ' 67' ' ' THR . 7.0 pt-20 -88.18 87.41 7.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.925 0.869 . . . . 2.13 108.991 178.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.432 ' O ' ' HG2' ' A' ' 65' ' ' LYS . . . -78.64 171.67 14.8 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 114.423 -1.262 . . . . 0.95 113.514 -161.714 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 91.1 mt -55.0 -30.68 59.99 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 115.81 -0.632 . . . . 1.34 111.289 -178.364 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.468 ' HA ' H141 ' A' 1001 ' ' OLA . 5.9 p-10 -76.96 21.1 0.22 Allowed 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.536 -0.757 . . . . 1.55 111.931 -178.043 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 16.1 m 77.62 -46.18 0.46 Allowed 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 123.904 0.882 . . . . 1.21 111.794 171.008 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 3.2 p -78.67 164.39 24.65 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 120.737 0.303 . . . . 0.93 110.365 176.271 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 29.6 pt20 -110.42 141.84 42.95 Favored 'General case' 0 N--CA 1.44 -0.96 0 N-CA-C 109.384 -0.598 . . . . 1.88 109.384 177.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' HIS . . . . . 0.631 ' CB ' ' HA ' ' A' ' 106' ' ' LYS . 16.8 p80 -157.22 -176.12 5.79 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 116.249 -0.432 . . . . 1.04 111.879 -174.646 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.455 ' HD2' ' OE2' ' A' ' 77' ' ' GLU . 39.0 ttpt -73.1 142.9 47.54 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.092 -0.958 . . . . 1.49 111.048 -177.155 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.501 HD12 ' HB3' ' A' ' 80' ' ' ASP . 63.0 mt -145.63 128.85 10.48 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 115.474 -0.784 . . . . 0.54 110.063 177.52 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 2.2 m -109.57 139.86 44.07 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 120.833 0.349 . . . . 0.43 110.788 178.09 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.426 ' CD2' HD21 ' A' ' 100' ' ' LEU . 5.0 m-85 -116.9 128.29 55.09 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.099 -0.5 . . . . 0.6 109.671 175.139 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -159.92 151.7 20.19 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.97 -0.382 . . . . 1.69 109.97 -176.496 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.568 HD23 HD11 ' A' ' 74' ' ' LEU . 1.3 mm? -97.03 121.23 38.68 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 109.85 -0.426 . . . . 1.12 109.85 179.502 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 46.1 tptt -81.77 -48.13 12.02 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.883 -0.784 . . . . 3.03 108.883 -176.583 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -140.03 165.82 28.04 Favored Pre-proline 0 C--N 1.323 -0.563 0 N-CA-C 107.513 -1.291 . . . . 1.79 107.513 176.083 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 26.0 Cg_exo -64.56 2.33 1.3 Allowed 'Trans proline' 0 C--N 1.349 0.558 0 C-N-CA 122.958 2.439 . . . . 0.98 113.55 -173.705 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 74.2 m-20 -139.93 23.07 2.44 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.315 -0.402 . . . . 2.32 110.468 178.43 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.517 ' HA ' ' O ' ' A' ' 118' ' ' TYR . 85.6 m -151.03 108.59 3.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.229 0.538 . . . . 0.56 111.748 -179.077 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.566 ' HB3' ' HB2' ' A' ' 118' ' ' TYR . 6.4 tt -90.51 137.28 32.48 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.38 -0.97 . . . . 1.1 108.38 175.331 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.564 ' N ' HD23 ' A' ' 100' ' ' LEU . 3.6 p -114.36 126.48 55.04 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 120.854 0.359 . . . . 0.41 110.967 178.902 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.406 ' HG3' ' CE1' ' A' ' 92' ' ' PHE . 49.4 tt0 -115.86 109.43 17.62 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.856 -0.611 . . . . 1.31 109.765 178.349 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' THR . . . . . 0.426 ' O ' ' HA ' ' A' ' 90' ' ' ILE . 7.6 m -98.35 110.14 22.78 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.372 -0.376 . . . . 0.51 110.761 -175.752 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 29.0 m-70 -93.14 100.22 12.65 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.284 -0.417 . . . . 1.69 110.258 -179.408 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.589 ' HA ' HG12 ' A' ' 113' ' ' VAL . 30.0 mt -108.49 118.19 55.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 121.458 0.647 . . . . 0.75 111.723 179.718 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.631 ' HA ' ' CB ' ' A' ' 88' ' ' HIS . 46.5 mtpt -69.93 124.73 24.78 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.438 -0.801 . . . . 1.61 112.305 179.54 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.491 HG23 ' HA ' ' A' ' 88' ' ' HIS . 93.9 t -63.65 -30.91 51.12 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.725 0 CA-C-N 114.547 -1.206 . . . . 1.32 109.891 173.254 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -70.35 -45.58 65.84 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 114.709 -1.132 . . . . 2.5 110.399 179.549 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.514 ' O ' ' HB2' ' A' ' 106' ' ' LYS . 4.3 p-10 -158.7 107.02 1.62 Allowed Pre-proline 0 N--CA 1.453 -0.293 0 CA-C-O 121.698 0.761 . . . . 2.39 110.647 177.408 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.413 ' HD2' ' HA ' ' A' ' 109' ' ' ASP . 70.1 Cg_endo -73.16 11.15 0.98 Allowed 'Trans proline' 0 CA--C 1.529 0.246 0 C-N-CA 123.527 2.818 . . . . 0.9 112.822 -179.689 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 39.2 p -90.92 -16.86 27.39 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.992 -0.549 . . . . 1.47 111.244 178.079 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -114.46 39.45 2.79 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.952 0.882 . . . . 1.59 109.866 -176.15 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.589 HG12 ' HA ' ' A' ' 105' ' ' ILE . 19.3 m -85.22 178.53 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 115.361 -0.836 . . . . 1.6 111.484 -175.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.498 ' HB2' ' NH1' ' A' ' 26' ' ' ARG . 8.7 tp10 -161.36 153.37 19.65 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.336 -0.393 . . . . 2.78 110.316 177.007 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 30.4 m -123.9 120.02 31.32 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.883 -0.599 . . . . 0.53 109.965 179.21 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 17.9 m-30 -95.23 146.94 23.98 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 107.788 -1.19 . . . . 0.96 107.788 176.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' GLU . . . . . 0.421 ' HB2' ' NH1' ' A' ' 119' ' ' ARG . 36.2 mt-10 -129.16 123.0 30.99 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.867 -0.79 . . . . 1.27 108.867 -178.407 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 118' ' ' TYR . . . . . 0.566 ' HB2' ' HB3' ' A' ' 100' ' ' LEU . 2.2 m-85 -98.44 122.12 41.23 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.378 -0.373 . . . . 0.6 110.755 -175.788 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 119' ' ' ARG . . . . . 0.421 ' NH1' ' HB2' ' A' ' 117' ' ' GLU . 0.0 OUTLIER -131.96 151.3 51.81 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 120.786 0.327 . . . . 3.41 110.375 173.033 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 120' ' ' ARG . . . . . 0.412 ' HD3' ' O ' ' A' ' 6' ' ' LYS . 9.0 tpt180 -101.31 105.86 16.98 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.34 -0.391 . . . . 1.96 110.449 -177.007 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -95.21 91.98 6.55 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.593 -0.521 . . . . 1.08 109.593 177.169 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 69.38 -100.15 0.71 Allowed Glycine 0 N--CA 1.446 -0.639 0 N-CA-C 111.124 -0.791 . . . . 0.92 111.124 -175.659 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -122.5 12.21 10.02 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.797 0.332 . . . . 2.31 111.003 176.151 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 92.7 m-85 -105.86 134.9 48.25 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.337 -0.392 . . . . 0.67 110.319 175.741 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -85.58 117.73 24.66 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 107.632 -1.247 . . . . 1.03 107.632 173.723 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 43.9 t -112.95 123.79 68.95 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.918 0 CA-C-O 121.39 0.614 . . . . 0.47 109.666 -174.56 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 127' ' ' MET . . . . . 0.525 ' HB3' ' HB3' ' A' ' 138' ' ' ARG . 20.7 ttm -105.19 140.42 38.38 Favored 'General case' 0 C--N 1.312 -1.024 0 CA-C-N 115.071 -0.968 . . . . 1.08 110.136 -179.786 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 38.8 tttm -112.47 126.21 55.07 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-N 115.851 -0.613 . . . . 2.2 109.386 176.768 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 49.4 mtp -124.62 119.81 30.09 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 107.985 -1.117 . . . . 1.11 107.985 177.083 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 130' ' ' SER . . . . . 0.518 ' HB3' ' HB3' ' A' ' 135' ' ' SER . 2.7 p -141.02 125.57 17.77 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 120.995 0.426 . . . . 1.06 112.138 -172.58 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 131' ' ' TRP . . . . . . . . . . . . . 70.1 t-105 -139.26 128.06 23.41 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.575 -0.739 . . . . 0.76 110.236 -178.157 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 53.9 mtmt 47.2 48.24 16.07 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 115.746 -0.661 . . . . 1.96 112.3 -176.724 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 86.77 -36.15 3.3 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.996 -0.621 . . . . 0.53 113.435 177.558 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 20.0 t -74.16 111.17 9.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 121.146 0.498 . . . . 0.43 110.204 -176.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 135' ' ' SER . . . . . 0.518 ' HB3' ' HB3' ' A' ' 130' ' ' SER . 0.1 OUTLIER -111.09 143.44 41.81 Favored 'General case' 0 N--CA 1.443 -0.778 0 CA-C-N 115.771 -0.65 . . . . 1.14 111.745 -177.36 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 8.2 t -129.89 140.09 51.03 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.771 -0.649 . . . . 0.4 110.191 175.637 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 6.9 m -102.92 118.79 37.6 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.153 0.502 . . . . 0.79 109.87 177.714 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 138' ' ' ARG . . . . . 0.525 ' HB3' ' HB3' ' A' ' 127' ' ' MET . 4.5 tpt180 -96.84 110.65 23.1 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.463 -0.79 . . . . 1.84 108.921 -179.505 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 99.2 m-85 -96.37 111.91 23.83 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.987 0.422 . . . . 0.64 111.811 -172.458 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 140' ' ' TYR . . . . . 0.45 ' HB3' ' HB3' ' A' ' 11' ' ' PHE . 55.6 m-85 -107.23 136.68 46.64 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.696 -0.683 . . . . 0.6 110.619 177.597 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 8.2 ptpt -112.21 163.19 14.64 Favored 'General case' 0 C--O 1.21 -0.983 0 N-CA-C 108.053 -1.092 . . . . 1.92 108.053 173.092 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 142' ' ' LYS . . . . . 0.56 ' HD2' ' O ' ' A' ' 10' ' ' THR . 29.0 tptp -45.24 159.13 0.06 Allowed 'General case' 0 CA--C 1.547 0.846 0 CA-C-O 121.196 0.522 . . . . 2.13 111.708 173.109 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 143' ' ' GLN . . . . . 0.462 HE21 ' HB3' ' A' ' 12' ' ' LYS . 4.1 mt-30 . . . . . 0 C--O 1.247 0.923 0 O-C-N 120.815 -1.178 . . . . 1.46 109.946 159.136 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1001 ' ' OLA . . . . . 0.862 H182 ' H41' ' A' 1001 ' ' OLA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' -11' ' ' MET . . . . . . . . . . . . . 23.6 mmt . . . . . 0 N--CA 1.481 1.116 0 CA-C-O 120.603 0.239 . . . . 14.47 110.812 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' -10' ' ' ARG . . . . . . . . . . . . . 78.8 mtt180 -117.09 -65.65 1.16 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.753 0.311 . . . . 15.82 110.713 -179.687 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' -9' ' ' GLY . . . . . . . . . . . . . . . -171.35 114.13 0.52 Allowed Glycine 0 N--CA 1.446 -0.662 0 C-N-CA 121.001 -0.618 . . . . 11.88 111.857 179.778 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' -8' ' ' SER . . . . . . . . . . . . . 11.5 t -80.65 82.85 6.56 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.244 0.545 . . . . 11.68 110.154 -178.73 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' -7' ' ' HIS . . . . . . . . . . . . . 65.0 m-70 -67.04 -76.13 0.09 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.772 -0.649 . . . . 11.79 110.148 178.102 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' -6' ' ' HIS . . . . . . . . . . . . . 8.9 t-160 -118.84 -16.92 9.24 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 120.83 -0.348 . . . . 10.98 110.396 176.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' -5' ' ' HIS . . . . . . . . . . . . . 91.7 m-70 -78.88 72.6 5.41 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.604 -0.517 . . . . 9.31 109.604 176.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' -4' ' ' HIS . . . . . . . . . . . . . 37.7 m80 -83.71 -44.76 14.14 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.978 -0.555 . . . . 10.54 110.964 -175.761 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' -3' ' ' HIS . . . . . 0.401 ' O ' ' HA3' ' A' ' 75' ' ' GLY . 76.7 m-70 -135.67 54.73 1.9 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.392 -0.367 . . . . 8.73 111.401 -177.905 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 20.0 t-80 -106.17 30.82 5.59 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 120.105 -0.638 . . . . 7.06 110.734 -179.483 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -85.27 60.46 4.75 Favored Glycine 0 N--CA 1.449 -0.451 0 N-CA-C 110.964 -0.855 . . . . 3.5 110.964 172.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 20.6 m -122.32 -178.16 3.81 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.553 0.692 . . . . 3.11 111.407 -174.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 7.2 ptmt -126.38 -163.67 1.25 Allowed 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 114.839 -1.073 . . . . 2.99 110.25 176.63 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.431 ' O ' ' HD3' ' A' ' 4' ' ' PRO . 25.5 m -66.84 147.43 53.26 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 115.818 -0.628 . . . . 0.99 109.8 174.017 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.523 HD12 HD21 ' A' ' 8' ' ' LEU . 2.4 tm? -72.73 111.02 9.62 Favored Pre-proline 0 C--N 1.325 -0.459 0 N-CA-C 109.145 -0.687 . . . . 0.59 109.145 177.132 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.431 ' HD3' ' O ' ' A' ' 2' ' ' THR . 53.3 Cg_exo -54.31 123.56 13.89 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.641 2.227 . . . . 0.61 112.04 -179.881 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.519 ' HA ' HD12 ' A' ' 8' ' ' LEU . 23.2 m-20 -53.22 -22.33 6.61 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.278 -0.874 . . . . 2.19 112.735 -175.257 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 7.7 ptpp? -58.39 -27.71 64.52 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 111.72 0.267 . . . . 2.53 111.72 178.352 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 50.9 m-85 -85.03 -8.7 58.59 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.688 0.28 . . . . 0.6 110.744 -178.755 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.711 HD23 ' HB3' ' A' ' 45' ' ' PHE . 83.0 mt -99.27 145.17 27.58 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-O 121.145 0.498 . . . . 0.46 111.494 -169.491 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 138.01 -178.52 19.13 Favored Glycine 0 N--CA 1.446 -0.664 0 CA-C-N 115.522 -0.763 . . . . 0.52 111.954 -177.906 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.402 HG23 ' HG2' ' A' ' 44' ' ' LYS . 6.1 m -109.96 125.34 52.76 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.646 -0.501 . . . . 1.05 109.646 177.372 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.445 ' HA ' ' HA ' ' A' ' 142' ' ' LYS . 49.2 m-85 -124.36 137.56 54.46 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 111.657 0.243 . . . . 0.47 111.657 -175.016 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.563 ' HB3' ' OE1' ' A' ' 143' ' ' GLN . 15.1 ptmm? -103.78 132.03 50.42 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-O 120.994 0.425 . . . . 2.19 110.436 170.553 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.1 tt -49.73 123.65 8.28 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 115.845 -0.616 . . . . 1.14 111.059 -179.602 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -90.02 -55.13 3.74 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 116.43 -0.35 . . . . 2.08 110.622 179.541 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.404 HH11 ' HD3' ' A' ' 15' ' ' ARG . 13.5 ptt-85 -159.89 177.54 10.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.351 -0.386 . . . . 3.36 110.091 -178.246 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -135.88 172.43 13.03 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.744 0.307 . . . . 1.19 110.716 -178.515 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -155.4 110.3 2.98 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.06 -0.518 . . . . 2.66 110.468 -179.34 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 65.5 t30 72.03 20.08 4.45 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-O 121.765 0.793 . . . . 0.76 110.928 175.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 63.2 t80 -73.67 -39.1 64.68 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.446 -0.797 . . . . 0.49 110.991 -175.07 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.539 ' OD1' ' HE3' ' A' ' 24' ' ' LYS . 26.2 t70 -58.26 -51.45 69.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.555 -0.293 . . . . 2.04 110.998 178.092 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -53.48 -42.9 67.73 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 116.178 -0.464 . . . . 1.79 110.987 177.102 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 90.8 t80 -59.29 -40.07 85.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.829 -0.623 . . . . 0.57 111.005 177.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 77.1 mt -63.43 -40.37 96.99 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.827 0.346 . . . . 0.37 110.455 -178.627 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.539 ' HE3' ' OD1' ' A' ' 20' ' ' ASP . 94.0 mttt -60.79 -47.73 85.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.025 -0.534 . . . . 1.88 110.008 178.662 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.17 -36.14 72.6 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.067 -0.97 . . . . 0.44 110.856 178.697 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 14.1 mmm180 -73.95 -8.01 54.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.024 -0.535 . . . . 1.29 111.824 -179.688 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 111.11 -6.68 28.93 Favored Glycine 0 N--CA 1.446 -0.67 0 C-N-CA 120.784 -0.722 . . . . 0.62 112.308 176.263 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.455 ' HB3' ' HB2' ' A' ' 32' ' ' MET . 36.7 m-85 -79.15 99.46 6.99 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.038 0.447 . . . . 0.64 109.86 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -68.12 -55.28 13.7 Favored Glycine 0 N--CA 1.45 -0.371 0 CA-C-N 115.685 -0.689 . . . . 1.54 113.397 -173.253 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.463 ' O ' ' HG2' ' A' ' 34' ' ' GLN . 83.2 t90 -154.93 -54.53 0.09 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.996 0.398 . . . . 1.18 111.169 -177.642 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.443 HD13 ' HA ' ' A' ' 31' ' ' ILE . 1.6 mm -53.19 -55.2 13.58 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.239 0 CA-C-N 116.53 -0.305 . . . . 2.16 111.813 -177.831 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.48 ' O ' HG13 ' A' ' 36' ' ' ILE . 64.2 mmm -60.15 -36.6 77.91 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.416 -0.356 . . . . 0.97 111.16 179.805 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.458 ' HD2' ' OD2' ' A' ' 20' ' ' ASP . 47.1 mtm105 -63.26 -30.84 71.9 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.929 -0.309 . . . . 1.87 110.662 177.871 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.509 ' O ' HD23 ' A' ' 38' ' ' LEU . 29.6 mm-40 -68.68 -30.79 69.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.123 0.487 . . . . 1.97 110.375 178.254 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.505 ' CG1' ' HG3' ' A' ' 64' ' ' LYS . 95.2 t -86.92 -65.28 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.208 -0.451 . . . . 0.68 111.548 179.564 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.48 HG13 ' O ' ' A' ' 32' ' ' MET . 61.0 mt -44.47 -44.02 2.34 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.501 0 N-CA-C 113.881 1.067 . . . . 0.51 113.881 -177.487 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 51.6 mtmt -74.63 -28.42 60.87 Favored 'General case' 0 N--CA 1.466 0.33 0 N-CA-C 111.97 0.359 . . . . 0.97 111.97 -176.596 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.509 HD23 ' O ' ' A' ' 34' ' ' GLN . 4.4 mm? -89.82 -11.95 40.57 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.035 0.445 . . . . 2.08 110.541 -174.81 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -78.1 113.62 16.2 Favored 'General case' 0 N--CA 1.445 -0.687 0 CA-C-N 115.633 -0.712 . . . . 1.03 110.65 178.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.654 ' O ' ' HA ' ' A' ' 62' ' ' THR . . . -68.1 141.02 36.94 Favored Glycine 0 N--CA 1.448 -0.515 0 N-CA-C 110.849 -0.9 . . . . 0.84 110.849 175.884 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.551 HG21 HH12 ' A' ' 138' ' ' ARG . 41.3 t -124.09 123.63 67.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-O 121.131 0.491 . . . . 1.3 111.202 -174.152 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 29.5 m -110.33 115.44 29.68 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.762 -0.653 . . . . 0.45 110.008 176.121 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.559 ' HZ1' ' C1 ' ' A' 1001 ' ' OLA . 74.2 mmtt -87.99 133.41 33.96 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.33 -0.395 . . . . 0.79 110.137 179.374 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.559 ' O ' ' HA ' ' A' ' 58' ' ' MET . 65.8 mttm -123.2 116.01 22.7 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.511 -0.313 . . . . 1.96 110.281 177.793 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.711 ' HB3' HD23 ' A' ' 8' ' ' LEU . 70.2 m-85 -120.6 138.99 53.61 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 109.951 -0.389 . . . . 0.54 109.951 175.766 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.454 ' O ' ' HB3' ' A' ' 56' ' ' TYR . 19.0 ptt180 -171.25 172.85 5.12 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.835 0.35 . . . . 3.17 110.902 -175.685 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 19.0 m120 -65.31 161.96 18.48 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 108.398 -0.964 . . . . 1.85 108.398 168.071 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.576 ' HA ' ' HB2' ' A' ' 57' ' ' ASP . . . -53.4 129.62 32.65 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-O 121.71 0.767 . . . . 0.87 111.476 -175.122 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.404 ' H ' ' HB2' ' A' ' 57' ' ' ASP . . . -68.43 -40.43 81.2 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 114.473 -1.24 . . . . 1.48 112.131 -169.594 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 17.1 t -81.71 16.78 1.66 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.005 0.431 . . . . 2.37 110.955 179.301 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 73.05 22.43 79.07 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.945 -0.645 . . . . 1.91 113.036 177.287 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.441 ' O ' ' HB3' ' A' ' 48' ' ' ALA . 13.9 tppt? -71.26 122.37 86.88 Favored Pre-proline 0 N--CA 1.443 -0.781 0 N-CA-C 109.756 -0.461 . . . . 3.17 109.756 176.237 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.587 ' O ' ' HB3' ' A' ' 54' ' ' ASP . 74.0 Cg_endo -72.67 142.95 36.82 Favored 'Trans proline' 0 C--O 1.237 0.458 0 C-N-CA 122.031 1.821 . . . . 1.84 112.08 -179.244 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.587 ' HB3' ' O ' ' A' ' 53' ' ' PRO . 9.9 t70 86.55 -56.34 0.06 Allowed 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 124.049 0.94 . . . . 2.44 109.781 176.866 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.466 ' HD3' ' HB3' ' A' ' 71' ' ' ASP . 58.7 mtt180 -67.52 155.83 38.13 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-O 121.847 0.832 . . . . 4.1 112.885 177.088 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.454 ' HB3' ' O ' ' A' ' 46' ' ' ARG . 30.9 m-85 -120.1 176.08 5.61 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 114.736 -1.12 . . . . 0.97 109.057 179.777 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.576 ' HB2' ' HA ' ' A' ' 48' ' ' ALA . 13.7 t70 -133.02 145.06 50.5 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 110.085 -0.339 . . . . 1.1 110.085 -177.159 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.559 ' HA ' ' O ' ' A' ' 44' ' ' LYS . 1.6 tmt? -147.24 139.84 24.82 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.554 -0.294 . . . . 0.98 110.401 -175.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.466 ' HG2' ' HA ' ' A' ' 68' ' ' HIS . 32.7 mt-10 -135.76 157.4 46.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.332 0.586 . . . . 1.11 112.456 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.442 ' HB2' ' OG1' ' A' ' 67' ' ' THR . 36.7 m-80 -131.09 108.92 10.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 114.84 -1.073 . . . . 1.17 109.64 175.073 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 75.2 mt -103.02 127.78 50.13 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.573 -0.285 . . . . 1.67 110.323 177.365 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.654 ' HA ' ' O ' ' A' ' 40' ' ' GLY . 58.8 p -133.31 -169.27 2.24 Favored 'General case' 0 N--CA 1.445 -0.689 0 N-CA-C 109.624 -0.51 . . . . 0.45 109.624 -179.101 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 71.7 p -90.79 -19.98 22.87 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-O 121.054 0.454 . . . . 0.54 111.303 -179.086 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.505 ' HG3' ' CG1' ' A' ' 35' ' ' VAL . 32.8 mmmt -115.32 -20.57 10.27 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.251 -0.431 . . . . 2.24 111.402 -175.56 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.493 ' HB3' ' H ' ' A' ' 66' ' ' ASP . 29.7 mmmt -131.3 -156.21 0.74 Allowed 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.149 0.499 . . . . 1.82 111.266 -174.882 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.493 ' H ' ' HB3' ' A' ' 65' ' ' LYS . 5.0 p-10 162.04 120.47 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 114.249 -1.341 . . . . 2.12 107.767 -173.046 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.442 ' OG1' ' HB2' ' A' ' 60' ' ' ASN . 69.9 p -137.23 145.43 43.6 Favored 'General case' 0 C--N 1.313 -1.02 0 CA-C-N 115.901 -0.59 . . . . 0.56 109.815 -174.857 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.466 ' HA ' ' HG2' ' A' ' 59' ' ' GLU . 4.7 t-160 -132.55 93.46 3.24 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.927 0.394 . . . . 1.95 110.062 -177.722 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 8.0 m-70 -73.78 84.03 1.65 Allowed 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.928 -0.767 . . . . 0.39 108.928 175.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.409 ' HA ' ' OD2' ' A' ' 57' ' ' ASP . 15.2 ptpt -84.45 121.71 27.95 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 112.472 0.545 . . . . 2.3 112.472 -174.337 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.466 ' HB3' ' HD3' ' A' ' 55' ' ' ARG . 53.2 m-20 66.02 79.65 0.24 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 114.848 -1.069 . . . . 2.07 111.862 170.096 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' TRP . . . . . 0.484 ' HB3' ' CE1' ' A' ' 78' ' ' PHE . 43.7 p-90 -120.96 140.71 51.5 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.352 -0.386 . . . . 0.43 110.92 174.634 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.454 ' O ' ' HB3' ' A' ' 76' ' ' GLU . . . -106.98 153.61 22.31 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.113 -0.699 . . . . 0.55 109.113 172.151 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.444 HD11 ' HB2' ' A' ' 3' ' ' LEU . 4.6 mp -56.36 136.36 53.58 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.348 0.595 . . . . 1.71 111.594 173.545 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.401 ' HA3' ' O ' ' A' ' -3' ' ' HIS . . . 72.56 15.07 77.52 Favored Glycine 0 N--CA 1.447 -0.592 0 CA-C-N 114.823 -1.081 . . . . 0.59 112.493 -177.292 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.454 ' HB3' ' O ' ' A' ' 73' ' ' ALA . 35.2 tt0 -107.77 127.32 53.6 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.471 0.653 . . . . 2.37 111.428 -177.72 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -97.49 122.43 40.55 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 114.802 -1.09 . . . . 1.4 109.49 174.162 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.484 ' CE1' ' HB3' ' A' ' 72' ' ' TRP . 37.2 p90 -132.48 158.81 41.12 Favored 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 109.475 -0.565 . . . . 0.57 109.475 -179.433 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 23.7 tt0 -90.53 140.63 29.55 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 109.4 -0.592 . . . . 1.95 109.4 177.458 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.582 ' HB3' HD12 ' A' ' 90' ' ' ILE . 5.5 t70 -168.58 164.78 12.41 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.708 -0.478 . . . . 1.26 109.708 -175.928 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.53 ' HA ' ' HA ' ' A' ' 87' ' ' GLN . 35.2 tt0 -97.14 118.17 32.97 Favored 'General case' 0 CA--C 1.514 -0.437 0 N-CA-C 109.52 -0.548 . . . . 2.13 109.52 178.92 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.466 ' HB3' ' OD1' ' A' ' 84' ' ' ASP . . . -94.82 -179.32 4.81 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-N 115.193 -0.912 . . . . 0.95 111.883 -178.143 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.52 ' O ' H132 ' A' 1001 ' ' OLA . 3.5 mm? -55.28 -26.85 42.7 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 111.704 0.261 . . . . 1.34 111.704 -177.106 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.539 ' HA ' H131 ' A' 1001 ' ' OLA . 17.0 p-10 -78.37 17.23 0.67 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.098 0.475 . . . . 1.55 111.987 -175.278 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.7 t 62.83 27.61 16.1 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.435 -0.802 . . . . 1.21 112.024 166.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 9.7 p -140.97 162.13 36.21 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 109.113 -0.699 . . . . 0.93 109.113 173.693 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.53 ' HA ' ' HA ' ' A' ' 81' ' ' GLU . 8.7 pt20 -110.58 128.52 55.69 Favored 'General case' 0 CA--C 1.504 -0.823 0 CA-C-O 121.558 0.694 . . . . 1.88 109.592 178.555 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' HIS . . . . . 0.851 ' HA ' HG23 ' A' ' 107' ' ' VAL . 2.5 p80 -152.85 179.48 8.62 Favored 'General case' 0 C--N 1.308 -1.219 0 CA-C-N 114.915 -1.039 . . . . 1.04 109.927 -172.674 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.53 136.75 47.65 Favored 'General case' 0 C--O 1.236 0.382 0 C-N-CA 120.501 -0.48 . . . . 1.49 109.997 -177.173 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.582 HD12 ' HB3' ' A' ' 80' ' ' ASP . 50.4 mt -134.11 126.76 50.36 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.928 0 CA-C-N 115.415 -0.811 . . . . 0.54 110.24 -178.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 18.6 m -112.92 128.08 56.38 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-N 116.141 -0.481 . . . . 0.43 110.697 178.66 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -103.79 122.83 45.92 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 108.504 -0.925 . . . . 0.6 108.504 172.397 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 20.6 t0 -156.62 156.02 32.81 Favored 'General case' 0 C--N 1.316 -0.887 0 N-CA-C 108.977 -0.749 . . . . 1.69 108.977 -172.125 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 2.4 mp -100.85 134.94 43.07 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-O 121.256 0.551 . . . . 1.12 110.822 -178.635 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 53.4 tttp -94.4 -54.28 3.59 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.314 -0.857 . . . . 3.03 108.77 -178.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.443 ' C ' ' H ' ' A' ' 98' ' ' ASN . 7.4 m-20 -121.85 167.98 12.47 Favored Pre-proline 0 C--N 1.323 -0.578 0 N-CA-C 108.345 -0.983 . . . . 1.79 108.345 174.431 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 15.3 Cg_exo -70.97 14.65 0.33 Allowed 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.925 2.417 . . . . 0.98 112.175 179.059 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' ASN . . . . . 0.443 ' H ' ' C ' ' A' ' 96' ' ' ASP . 30.8 p30 -147.61 14.47 1.08 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.561 -0.745 . . . . 2.32 110.18 176.886 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.408 ' HA ' ' HA ' ' A' ' 119' ' ' ARG . 57.1 m -141.08 111.53 6.87 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-O 121.104 0.478 . . . . 0.56 112.123 -176.133 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.551 ' HB3' ' HB2' ' A' ' 118' ' ' TYR . 0.6 OUTLIER -82.84 155.98 23.87 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.862 -1.162 . . . . 1.1 107.862 171.664 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.588 HG22 ' HG2' ' A' ' 117' ' ' GLU . 15.0 p -134.59 135.27 42.11 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 118.672 0.669 . . . . 0.41 111.036 173.435 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.407 ' O ' ' HA ' ' A' ' 115' ' ' THR . 64.0 tt0 -115.4 106.12 13.62 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.566 -0.743 . . . . 1.31 109.463 177.041 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' THR . . . . . 0.405 ' O ' ' HA ' ' A' ' 90' ' ' ILE . 52.2 m -104.89 119.64 39.5 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 109.973 -0.38 . . . . 0.51 109.973 -178.536 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' HIS . . . . . 0.636 ' HB2' ' CE1' ' A' ' 88' ' ' HIS . 29.2 p80 -120.78 117.94 28.73 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.454 -0.498 . . . . 1.69 111.348 179.634 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.726 ' O ' ' HB2' ' A' ' 88' ' ' HIS . 53.6 mt -119.5 132.12 70.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.449 -0.796 . . . . 0.75 110.62 -177.227 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.512 ' HG3' ' HB3' ' A' ' 112' ' ' ASP . 39.4 mmtm -55.93 119.87 6.52 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 115.702 -0.681 . . . . 1.61 112.748 -179.664 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.851 HG23 ' HA ' ' A' ' 88' ' ' HIS . 82.7 t -63.86 -39.43 85.41 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.554 0 CA-C-N 115.464 -0.789 . . . . 1.32 110.704 172.244 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -62.62 -36.94 84.4 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.039 -0.982 . . . . 2.5 110.751 -177.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.42 ' O ' ' HB2' ' A' ' 106' ' ' LYS . 29.6 t70 -169.99 101.23 0.45 Allowed Pre-proline 0 C--N 1.323 -0.58 0 CA-C-N 115.533 -0.758 . . . . 2.39 108.996 -176.719 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -71.47 24.8 0.23 Allowed 'Trans proline' 0 C--O 1.233 0.241 0 C-N-CA 123.928 3.085 . . . . 0.9 114.443 -169.897 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 81.2 p -78.41 -28.85 46.94 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 109.603 -0.517 . . . . 1.47 109.603 174.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' ASP . . . . . 0.512 ' HB3' ' HG3' ' A' ' 106' ' ' LYS . 35.8 t70 -91.99 109.51 20.85 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 116.053 -0.521 . . . . 1.59 110.047 175.432 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -131.35 125.97 57.76 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.113 0 CA-C-N 115.468 -0.787 . . . . 1.6 109.093 -178.508 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.575 ' HB3' ' CE1' ' A' ' 104' ' ' HIS . 37.1 tt0 -138.15 140.26 39.78 Favored 'General case' 0 C--N 1.316 -0.861 0 C-N-CA 120.71 -0.396 . . . . 2.78 110.68 -178.275 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 115' ' ' THR . . . . . 0.407 ' HA ' ' O ' ' A' ' 102' ' ' GLU . 47.8 m -133.17 133.11 42.39 Favored 'General case' 0 N--CA 1.445 -0.681 0 CA-C-N 115.763 -0.653 . . . . 0.53 110.956 -174.873 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -106.36 158.41 16.9 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 107.241 -1.392 . . . . 0.96 107.241 171.674 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' GLU . . . . . 0.588 ' HG2' HG22 ' A' ' 101' ' ' THR . 31.0 mt-10 -129.97 111.29 12.39 Favored 'General case' 0 N--CA 1.443 -0.822 0 N-CA-C 107.695 -1.224 . . . . 1.27 107.695 -179.301 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 118' ' ' TYR . . . . . 0.551 ' HB2' ' HB3' ' A' ' 100' ' ' LEU . 95.9 m-85 -87.86 86.32 7.14 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.035 0.445 . . . . 0.6 110.056 -177.927 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 119' ' ' ARG . . . . . 0.408 ' HA ' ' HA ' ' A' ' 99' ' ' THR . 19.3 ttt85 -93.93 153.25 18.32 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.723 -0.671 . . . . 3.41 109.91 -179.833 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 120' ' ' ARG . . . . . 0.548 ' NH2' ' HA ' ' A' ' 123' ' ' ASP . 12.4 mmm180 -109.91 121.61 45.63 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-O 120.924 0.392 . . . . 1.96 111.581 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -122.15 100.77 7.14 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.819 -0.628 . . . . 1.08 109.766 176.065 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 69.54 -111.6 3.97 Favored Glycine 0 N--CA 1.443 -0.872 0 C-N-CA 120.686 -0.769 . . . . 0.92 111.269 -176.413 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 123' ' ' ASP . . . . . 0.548 ' HA ' ' NH2' ' A' ' 120' ' ' ARG . 38.0 t70 -112.74 4.2 16.94 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.301 0.572 . . . . 2.31 110.267 176.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 74.8 m-85 -100.16 140.74 33.97 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.107 -0.497 . . . . 0.67 110.735 -178.4 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.5 HD21 ' HB3' ' A' ' 118' ' ' TYR . 0.3 OUTLIER -87.22 123.36 32.15 Favored 'General case' 0 N--CA 1.445 -0.68 0 N-CA-C 107.671 -1.233 . . . . 1.03 107.671 173.004 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 77.4 t -111.8 113.15 43.37 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.052 0 CA-C-O 121.075 0.464 . . . . 0.47 109.912 -176.874 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 127' ' ' MET . . . . . 0.467 ' HE3' ' HE3' ' A' ' 43' ' ' LYS . 27.6 ttm -90.55 141.07 29.14 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-N 115.63 -0.714 . . . . 1.08 109.95 177.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 33.0 ttmt -134.25 136.28 43.5 Favored 'General case' 0 C--N 1.315 -0.896 0 N-CA-C 109.575 -0.528 . . . . 2.2 109.575 174.507 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 2.5 ptm -146.74 135.77 22.48 Favored 'General case' 0 C--N 1.313 -1.004 0 N-CA-C 108.766 -0.827 . . . . 1.11 108.766 -179.292 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 130' ' ' SER . . . . . 0.492 ' HA ' ' O ' ' A' ' 134' ' ' VAL . 6.2 p -131.4 136.93 48.43 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.977 0.418 . . . . 1.06 111.944 -172.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 131' ' ' TRP . . . . . 0.582 ' CD1' ' HG2' ' A' ' 132' ' ' LYS . 47.3 t-105 -151.07 131.66 13.91 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.77 -0.65 . . . . 0.76 110.116 176.079 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 132' ' ' LYS . . . . . 0.582 ' HG2' ' CD1' ' A' ' 131' ' ' TRP . 74.9 mmtt 53.29 37.37 25.11 Favored 'General case' 0 C--N 1.328 -0.355 0 O-C-N 123.746 0.654 . . . . 1.96 111.321 -178.248 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 85.72 -12.52 59.15 Favored Glycine 0 CA--C 1.519 0.34 0 C-N-CA 121.057 -0.592 . . . . 0.53 113.247 179.379 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 134' ' ' VAL . . . . . 0.492 ' O ' ' HA ' ' A' ' 130' ' ' SER . 4.8 t -83.93 105.51 13.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 117.03 0.415 . . . . 0.43 110.245 -178.55 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -101.22 128.4 47.36 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 116.108 -0.497 . . . . 1.14 110.745 176.183 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 3.1 t -123.44 136.37 54.57 Favored 'General case' 0 C--N 1.311 -1.081 0 CA-C-N 115.721 -0.672 . . . . 0.4 110.52 179.318 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 137' ' ' SER . . . . . 0.45 ' HA ' ' O ' ' A' ' 127' ' ' MET . 16.6 m -108.1 111.03 22.86 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-N 116.064 -0.517 . . . . 0.79 109.715 175.321 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 138' ' ' ARG . . . . . 0.551 HH12 HG21 ' A' ' 41' ' ' VAL . 7.7 ttt180 -96.87 120.61 37.53 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 109.077 -0.712 . . . . 1.84 109.077 179.385 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 91.3 m-85 -93.51 111.02 22.6 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.166 0.508 . . . . 0.64 111.063 -172.055 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 140' ' ' TYR . . . . . 0.444 ' HB2' ' HB3' ' A' ' 125' ' ' LEU . 93.6 m-85 -103.78 121.77 43.72 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.519 -0.764 . . . . 0.6 110.384 178.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 141' ' ' LYS . . . . . 0.6 ' HD2' ' O ' ' A' ' 142' ' ' LYS . 5.0 tmmm? -101.76 152.99 20.21 Favored 'General case' 0 N--CA 1.436 -1.166 0 N-CA-C 107.423 -1.325 . . . . 1.92 107.423 179.424 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 142' ' ' LYS . . . . . 0.6 ' O ' ' HD2' ' A' ' 141' ' ' LYS . 80.9 tttt -50.89 166.23 0.09 Allowed 'General case' 0 CA--C 1.547 0.83 0 CA-C-O 121.719 0.771 . . . . 2.13 112.253 179.671 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 143' ' ' GLN . . . . . 0.563 ' OE1' ' HB3' ' A' ' 12' ' ' LYS . 7.5 mm100 . . . . . 0 C--O 1.247 0.966 0 O-C-N 121.099 -1.001 . . . . 1.46 110.59 163.007 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1001 ' ' OLA . . . . . 0.66 H141 ' C10' ' A' 1001 ' ' OLA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' -11' ' ' MET . . . . . . . . . . . . . 1.5 mpt? . . . . . 0 N--CA 1.481 1.116 0 CA-C-O 120.809 0.337 . . . . 14.47 110.794 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' -10' ' ' ARG . . . . . 0.647 ' NE ' ' HA ' ' A' ' -10' ' ' ARG . 2.9 mmp_? -132.65 16.69 4.34 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.064 -0.516 . . . . 15.82 110.467 175.132 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' -9' ' ' GLY . . . . . . . . . . . . . . . 110.22 -159.03 14.11 Favored Glycine 0 N--CA 1.445 -0.707 0 C-N-CA 120.875 -0.679 . . . . 11.88 112.073 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' -8' ' ' SER . . . . . . . . . . . . . 66.7 m -156.25 156.43 34.07 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 110.16 -0.311 . . . . 11.68 110.16 178.762 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' -7' ' ' HIS . . . . . . . . . . . . . 20.3 m170 58.32 56.07 4.66 Favored 'General case' 0 C--N 1.33 -0.262 0 O-C-N 123.598 0.561 . . . . 11.79 112.347 176.505 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' -6' ' ' HIS . . . . . . . . . . . . . 89.3 m-70 -90.3 -55.45 3.59 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 108.99 -0.745 . . . . 10.98 108.99 172.045 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' -5' ' ' HIS . . . . . . . . . . . . . 10.9 p-80 -175.77 -159.98 0.07 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 114.685 -1.143 . . . . 9.31 108.334 179.261 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' -4' ' ' HIS . . . . . . . . . . . . . 16.7 m80 -71.22 82.46 0.73 Allowed 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.371 0.605 . . . . 10.54 110.451 174.202 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' -3' ' ' HIS . . . . . . . . . . . . . 81.6 t60 -100.11 115.09 28.97 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.441 -0.8 . . . . 8.73 110.043 -179.338 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 54.0 m-70 -68.35 127.09 31.7 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.932 -0.576 . . . . 7.06 109.821 179.039 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -61.19 -44.56 97.97 Favored Glycine 0 CA--C 1.508 -0.371 0 N-CA-C 110.905 -0.878 . . . . 3.5 110.905 177.071 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 15.3 m -105.59 119.09 38.23 Favored 'General case' 0 N--CA 1.442 -0.832 0 N-CA-C 108.578 -0.897 . . . . 3.11 108.578 169.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.61 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 87.2 mttt -73.48 91.99 1.84 Allowed 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.439 -0.346 . . . . 2.99 110.355 -177.064 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.6 m -60.37 139.82 57.47 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.055 -0.521 . . . . 0.99 109.654 -174.8 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.559 HD21 HD12 ' A' ' 100' ' ' LEU . 0.4 OUTLIER -57.17 118.81 26.7 Favored Pre-proline 0 C--O 1.233 0.216 0 O-C-N 123.36 0.413 . . . . 0.59 111.808 -170.179 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.528 ' HD2' HD23 ' A' ' 3' ' ' LEU . 27.8 Cg_exo -59.82 131.06 37.73 Favored 'Trans proline' 0 N--CA 1.461 -0.432 0 C-N-CA 122.743 2.295 . . . . 0.61 111.012 172.221 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.523 ' HA ' HD12 ' A' ' 8' ' ' LEU . 7.9 p-10 -56.57 -22.04 30.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.063 -0.517 . . . . 2.19 111.72 -179.297 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 34.9 ttmt -59.02 -22.46 60.71 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 116.091 -0.504 . . . . 2.53 111.993 176.218 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -99.32 2.86 45.8 Favored 'General case' 0 C--N 1.331 -0.198 0 O-C-N 122.086 -0.384 . . . . 0.6 111.495 -179.701 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.523 HD12 ' HA ' ' A' ' 5' ' ' ASP . 97.3 mt -97.56 151.72 19.76 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.451 0.643 . . . . 0.46 111.648 -173.332 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.417 ' HA3' ' HE3' ' A' ' 142' ' ' LYS . . . 121.04 173.66 14.76 Favored Glycine 0 N--CA 1.442 -0.94 0 CA-C-N 114.972 -1.013 . . . . 0.52 111.681 -178.826 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 12.2 m -99.16 125.72 44.78 Favored 'General case' 0 N--CA 1.444 -0.745 0 N-CA-C 109.528 -0.545 . . . . 1.05 109.528 176.504 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 61.5 m-85 -118.36 129.63 55.54 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.311 -0.404 . . . . 0.47 111.016 -177.045 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.65 ' HB3' ' NE2' ' A' ' 143' ' ' GLN . 21.6 ptmt -97.72 134.72 40.52 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 120.088 -0.645 . . . . 2.19 110.685 172.018 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.447 ' HA ' ' HA ' ' A' ' 140' ' ' TYR . 6.5 tt -55.64 120.61 7.52 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 116.247 -0.433 . . . . 1.14 110.474 178.217 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -90.49 -53.08 4.59 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.958 -0.564 . . . . 2.08 110.369 -178.325 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 23.3 ptt-85 -143.3 159.84 41.6 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.951 0.405 . . . . 3.36 110.107 179.108 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -132.87 137.29 46.64 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 115.693 -0.685 . . . . 1.19 110.103 -172.531 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -140.31 124.56 17.71 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 111.899 0.333 . . . . 2.66 111.899 -173.215 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 67.41 20.04 9.97 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 123.501 0.721 . . . . 0.76 111.796 172.452 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.4 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 19.5 t80 -75.6 -38.54 58.99 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.643 -0.708 . . . . 0.49 110.835 -176.065 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.43 ' O ' ' HG3' ' A' ' 24' ' ' LYS . 10.5 p-10 -64.28 -42.13 96.57 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 110.259 -0.275 . . . . 2.04 110.259 178.079 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 35.9 mm-40 -52.28 -45.14 65.35 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-O 120.914 0.388 . . . . 1.79 110.601 173.819 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 60.4 t80 -59.46 -42.23 91.52 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.552 -0.749 . . . . 0.57 111.06 176.198 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.4 ' HG ' ' O ' ' A' ' 19' ' ' PHE . 82.8 mt -64.29 -40.1 95.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.943 0.402 . . . . 0.37 110.889 -175.83 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.444 ' HG2' ' NH1' ' A' ' 33' ' ' ARG . 89.3 mttt -62.46 -50.9 69.6 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.795 -0.639 . . . . 1.88 109.819 178.242 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.417 ' HB1' ' HB2' ' A' ' 132' ' ' LYS . . . -60.45 -37.03 79.65 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 114.938 -1.028 . . . . 0.44 111.343 178.114 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.533 ' HA ' ' CD1' ' A' ' 131' ' ' TRP . 7.8 tpt180 -73.23 -8.87 57.7 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.04 -0.527 . . . . 1.29 111.452 -177.343 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 97.04 25.84 10.9 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.305 -0.95 . . . . 0.62 113.466 174.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.632 ' OH ' H141 ' A' 1001 ' ' OLA . 82.4 m-85 -96.75 112.59 24.28 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.161 -0.681 . . . . 0.64 109.161 173.363 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -71.25 -59.07 5.17 Favored Glycine 0 N--CA 1.449 -0.452 0 CA-C-N 115.141 -0.936 . . . . 1.54 113.764 -170.776 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 67.0 t90 -155.07 -56.41 0.1 Allowed 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 117.322 0.561 . . . . 1.18 112.092 -178.727 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.83 ' H ' HD12 ' A' ' 31' ' ' ILE . 3.8 mp -55.4 -50.2 67.36 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.642 0 CA-C-O 121.559 0.695 . . . . 2.16 109.871 -173.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.51 ' HA ' ' CG2' ' A' ' 35' ' ' VAL . 69.5 mmm -64.23 -31.47 72.68 Favored 'General case' 0 N--CA 1.433 -1.289 0 CA-C-N 114.959 -1.019 . . . . 0.97 111.287 -177.374 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.444 ' NH1' ' HG2' ' A' ' 24' ' ' LYS . 14.2 mtm180 -69.72 -22.19 63.41 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 120.473 -0.491 . . . . 1.87 110.19 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.54 ' O ' HD23 ' A' ' 38' ' ' LEU . 25.7 mm-40 -81.08 -30.4 34.73 Favored 'General case' 0 N--CA 1.455 -0.186 0 CA-C-N 116.215 -0.448 . . . . 1.97 110.926 178.008 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.51 ' CG2' ' HA ' ' A' ' 32' ' ' MET . 4.3 m -88.22 -55.01 6.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 N-CA-C 111.7 0.259 . . . . 0.68 111.7 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.672 ' HA ' ' H9 ' ' A' 1001 ' ' OLA . 66.1 mt -48.0 -46.93 12.83 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.398 0 N-CA-C 113.044 0.757 . . . . 0.51 113.044 -179.448 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 48.4 mtmt -74.53 -22.95 58.76 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 112.288 0.477 . . . . 0.97 112.288 -174.796 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.54 HD23 ' O ' ' A' ' 34' ' ' GLN . 4.5 mm? -90.63 -6.71 54.25 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.069 0.461 . . . . 2.08 110.919 -176.932 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.712 ' HA ' ' OG1' ' A' ' 63' ' ' THR . . . -83.2 109.96 17.65 Favored 'General case' 0 N--CA 1.442 -0.859 0 CA-C-N 115.842 -0.617 . . . . 1.03 110.659 176.406 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.68 ' O ' ' HA ' ' A' ' 62' ' ' THR . . . -65.78 139.58 39.09 Favored Glycine 0 N--CA 1.447 -0.603 0 N-CA-C 110.633 -0.987 . . . . 0.84 110.633 175.021 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 22.0 t -117.33 123.17 71.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-O 121.166 0.508 . . . . 1.3 111.738 -172.514 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 58.0 m -116.21 117.13 29.17 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.63 -0.714 . . . . 0.45 109.666 174.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.582 ' HE3' ' ND2' ' A' ' 60' ' ' ASN . 40.1 mmtm -99.3 130.66 45.6 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.336 -0.393 . . . . 0.79 110.016 -179.004 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.515 ' O ' ' HG2' ' A' ' 58' ' ' MET . 36.6 ttmt -130.34 127.93 40.44 Favored 'General case' 0 C--N 1.32 -0.679 0 C-N-CA 121.015 -0.274 . . . . 1.96 111.133 -176.677 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 77.2 m-85 -122.85 132.69 54.31 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.361 -0.607 . . . . 0.54 109.361 176.314 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 12.8 ptm180 -162.9 171.83 16.02 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.108 0.48 . . . . 3.17 111.558 -178.694 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 -67.87 146.36 53.73 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.116 -0.947 . . . . 1.85 108.913 173.011 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -52.71 141.52 20.82 Favored 'General case' 0 CA--C 1.512 -0.489 0 CA-C-O 121.618 0.723 . . . . 0.87 111.069 -179.238 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.88 -31.95 69.05 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 114.13 -1.395 . . . . 1.48 112.781 -168.85 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.642 ' OG ' ' HE2' ' A' ' 52' ' ' LYS . 2.5 p -78.87 15.23 1.12 Allowed 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.353 0.501 . . . . 2.37 112.353 178.727 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 65.09 43.46 95.62 Favored Glycine 0 C--N 1.331 0.252 0 C-N-CA 121.127 -0.559 . . . . 1.91 113.112 177.297 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.642 ' HE2' ' OG ' ' A' ' 50' ' ' SER . 51.7 mtmt -111.7 131.11 22.53 Favored Pre-proline 0 C--N 1.322 -0.606 0 CA-C-O 120.515 0.198 . . . . 3.17 110.725 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -76.72 161.17 33.96 Favored 'Trans proline' 0 N--CA 1.462 -0.355 0 C-N-CA 122.759 2.306 . . . . 1.84 111.781 177.255 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 65.71 5.9 3.59 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-O 121.563 0.697 . . . . 2.44 110.52 175.425 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.412 ' HD3' ' HA ' ' A' ' 55' ' ' ARG . 22.2 mmt180 -137.23 123.22 20.23 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 114.84 -1.073 . . . . 4.1 108.334 175.395 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.424 ' CZ ' ' HB2' ' A' ' 3' ' ' LEU . 97.3 m-85 -116.43 165.32 13.36 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-O 121.298 0.57 . . . . 0.97 111.966 -172.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -123.04 130.92 53.42 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.022 -0.99 . . . . 1.1 108.45 177.354 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.55 ' SD ' ' HD2' ' A' ' 69' ' ' HIS . 1.5 tmt? -140.19 138.11 34.89 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 109.92 -0.4 . . . . 0.98 109.92 -174.573 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -133.34 145.84 50.76 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.182 0.515 . . . . 1.11 111.987 -176.247 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.582 ' ND2' ' HE3' ' A' ' 43' ' ' LYS . 0.6 OUTLIER -118.32 73.75 0.92 Allowed 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 108.527 -0.916 . . . . 1.17 108.527 176.702 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -72.8 129.61 38.57 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.484 -0.325 . . . . 1.67 110.347 -176.134 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.68 ' HA ' ' O ' ' A' ' 40' ' ' GLY . 55.6 p -137.14 -177.16 4.64 Favored 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 109.795 -0.446 . . . . 0.45 109.795 179.268 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.712 ' OG1' ' HA ' ' A' ' 39' ' ' ALA . 27.7 p -95.29 -16.8 22.17 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.967 0.413 . . . . 0.54 110.849 179.289 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.461 ' HG2' ' C10' ' A' 1001 ' ' OLA . 25.4 tptp -106.26 -20.1 13.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.045 -0.525 . . . . 2.24 110.507 -176.514 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.69 ' HG3' ' H ' ' A' ' 66' ' ' ASP . 32.4 tptt -143.59 -145.39 0.17 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.832 0.349 . . . . 1.82 110.357 -178.012 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.69 ' H ' ' HG3' ' A' ' 65' ' ' LYS . 17.5 t70 160.3 119.29 0.0 OUTLIER 'General case' 0 C--N 1.316 -0.858 0 C-N-CA 124.469 1.108 . . . . 2.12 109.459 -168.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.504 HG22 ' O ' ' A' ' 81' ' ' GLU . 45.2 p -122.46 160.5 25.39 Favored 'General case' 0 C--N 1.312 -1.06 0 CA-C-N 116.008 -0.542 . . . . 0.56 109.971 175.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 3.8 t-160 -143.76 88.15 1.97 Allowed 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.212 0.53 . . . . 1.95 110.266 178.072 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.55 ' HD2' ' SD ' ' A' ' 58' ' ' MET . 13.3 m-70 -76.85 85.1 3.43 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.145 -0.687 . . . . 0.39 109.145 178.212 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.27 131.7 37.28 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 112.436 0.532 . . . . 2.3 112.436 -176.202 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 63.87 48.97 2.98 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.154 -0.93 . . . . 2.07 112.157 168.371 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' TRP . . . . . 0.454 ' HE1' ' CB ' ' A' ' 58' ' ' MET . 69.3 p-90 -104.45 159.25 15.88 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.003 0.43 . . . . 0.43 110.48 179.151 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.628 ' O ' ' HB3' ' A' ' 76' ' ' GLU . . . -134.24 156.55 48.19 Favored 'General case' 0 C--N 1.317 -0.833 0 N-CA-C 109.329 -0.619 . . . . 0.55 109.329 171.911 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.644 HD13 ' H ' ' A' ' 74' ' ' LEU . 0.0 OUTLIER -66.9 142.94 57.12 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-O 121.735 0.779 . . . . 1.71 110.237 173.058 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 78.35 3.66 86.11 Favored Glycine 0 C--N 1.315 -0.628 0 CA-C-N 114.712 -1.131 . . . . 0.59 111.85 -170.519 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.628 ' HB3' ' O ' ' A' ' 73' ' ' ALA . 8.9 tp10 -113.56 156.49 23.52 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-O 120.87 0.367 . . . . 2.37 110.475 -178.283 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.469 ' HA ' ' HA ' ' A' ' 91' ' ' THR . 1.1 pt-20 -135.51 139.58 44.1 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 108.86 -0.792 . . . . 1.4 108.86 -179.191 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 31.6 p90 -143.56 157.77 44.17 Favored 'General case' 0 C--N 1.316 -0.879 0 O-C-N 122.321 -0.237 . . . . 0.57 110.472 179.291 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 32.6 tt0 -88.32 138.35 31.52 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.666 -0.494 . . . . 1.95 109.666 177.869 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.485 ' O ' ' HA ' ' A' ' 87' ' ' GLN . 50.0 t0 -159.63 164.99 33.65 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.357 -0.383 . . . . 1.26 110.023 -174.564 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.504 ' O ' HG22 ' A' ' 67' ' ' THR . 35.4 tt0 -100.51 103.58 14.92 Favored 'General case' 0 CA--C 1.511 -0.536 0 N-CA-C 108.572 -0.899 . . . . 2.13 108.572 179.37 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.494 ' HB2' HD11 ' A' ' 90' ' ' ILE . . . -82.76 179.13 7.87 Favored 'General case' 0 C--N 1.311 -1.099 0 CA-C-N 114.569 -1.196 . . . . 0.95 112.566 -171.391 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.574 HD22 ' H ' ' A' ' 83' ' ' LEU . 2.9 mm? -54.69 -29.47 53.02 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 121.425 0.631 . . . . 1.34 110.097 178.303 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.404 ' HA ' H142 ' A' 1001 ' ' OLA . 1.7 p30 -68.99 2.81 2.4 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 114.607 -1.179 . . . . 1.55 112.302 -177.016 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 24.2 m 68.18 19.33 9.16 Favored 'General case' 0 C--O 1.232 0.182 0 C-N-CA 122.948 0.499 . . . . 1.21 112.177 173.145 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 15.4 p -129.2 165.44 21.34 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.381 -0.372 . . . . 0.93 110.088 174.418 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.485 ' HA ' ' O ' ' A' ' 80' ' ' ASP . 0.0 OUTLIER -110.89 121.9 46.51 Favored 'General case' 0 CA--C 1.509 -0.604 0 N-CA-C 108.851 -0.796 . . . . 1.88 108.851 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 88' ' ' HIS . . . . . 0.558 ' CB ' ' HA ' ' A' ' 106' ' ' LYS . 17.6 p80 -152.2 -178.3 6.71 Favored 'General case' 0 C--N 1.31 -1.139 0 CA-C-N 115.576 -0.738 . . . . 1.04 110.045 -174.434 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.435 ' H ' HG13 ' A' ' 107' ' ' VAL . 39.2 ttpt -73.42 141.38 46.94 Favored 'General case' 0 C--N 1.32 -0.7 0 O-C-N 123.535 0.522 . . . . 1.49 109.762 179.652 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.494 HD11 ' HB2' ' A' ' 82' ' ' ALA . 49.0 mt -138.96 118.36 13.89 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.033 0 CA-C-N 115.834 -0.621 . . . . 0.54 109.939 176.535 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.469 ' HA ' ' HA ' ' A' ' 77' ' ' GLU . 11.0 m -108.04 137.96 45.13 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.557 -0.747 . . . . 0.43 110.959 -176.232 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 32.4 m-85 -113.15 143.01 45.1 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 108.921 -0.77 . . . . 0.6 108.921 176.037 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -165.58 153.03 10.59 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 120.63 0.253 . . . . 1.69 110.34 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.442 ' HB2' ' HB2' ' A' ' 1' ' ' LYS . 1.9 mm? -95.73 114.32 26.04 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.349 0.595 . . . . 1.12 109.481 176.796 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 52.0 tttm -86.26 -47.48 9.38 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.328 -0.851 . . . . 3.03 109.712 -174.119 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -134.37 167.53 22.38 Favored Pre-proline 0 C--N 1.318 -0.774 0 N-CA-C 108.107 -1.071 . . . . 1.79 108.107 176.839 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_exo -65.39 -0.97 4.03 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.73 2.287 . . . . 0.98 112.35 -177.665 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 66.6 t30 -143.21 33.14 1.34 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.844 -0.616 . . . . 2.32 109.796 177.795 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 68.4 m -154.57 111.8 3.38 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-O 121.098 0.475 . . . . 0.56 112.012 179.666 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.559 HD12 HD21 ' A' ' 3' ' ' LEU . 1.3 tt -95.11 133.52 38.84 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.439 -0.948 . . . . 1.1 108.439 174.199 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 10.6 p -109.4 128.73 55.36 Favored 'General case' 0 C--N 1.323 -0.583 0 O-C-N 121.271 -0.893 . . . . 0.41 111.464 179.79 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 48.7 tt0 -112.32 103.24 11.36 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.457 -0.792 . . . . 1.31 109.331 176.283 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' THR . . . . . 0.405 ' O ' ' HA ' ' A' ' 90' ' ' ILE . 24.8 m -97.58 112.08 24.09 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.109 0.481 . . . . 0.51 111.059 -173.722 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' HIS . . . . . 0.422 ' HB3' ' CE1' ' A' ' 88' ' ' HIS . 16.1 m170 -92.19 98.03 11.27 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.054 -0.521 . . . . 1.69 110.139 178.102 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.554 ' HA ' HG12 ' A' ' 113' ' ' VAL . 10.5 mt -100.59 109.89 26.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-O 121.322 0.582 . . . . 0.75 111.327 177.321 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.558 ' HA ' ' CB ' ' A' ' 88' ' ' HIS . 96.9 mttt -63.48 114.36 3.85 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 114.998 -1.001 . . . . 1.61 110.839 177.406 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.435 HG13 ' H ' ' A' ' 89' ' ' LYS . 17.3 m -61.51 -22.13 27.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.102 -0.954 . . . . 1.32 111.35 178.484 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 108' ' ' ASP . . . . . 0.54 ' OD2' ' HB3' ' A' ' 106' ' ' LYS . 10.6 p-10 -81.12 -44.09 18.44 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.935 -0.575 . . . . 2.5 110.427 178.426 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -141.7 93.62 7.6 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.256 0.551 . . . . 2.39 110.577 175.89 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -73.22 6.53 2.56 Favored 'Trans proline' 0 N--CA 1.464 -0.254 0 C-N-CA 123.467 2.778 . . . . 0.9 112.438 -179.278 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 30.6 p -94.61 -13.99 25.4 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.399 0.619 . . . . 1.47 110.197 173.825 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -110.37 43.67 1.36 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.418 -0.81 . . . . 1.59 109.33 -179.247 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.554 HG12 ' HA ' ' A' ' 105' ' ' ILE . 22.9 m -79.61 179.72 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.564 -0.744 . . . . 1.6 111.874 -178.58 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.44 ' HB2' ' NH1' ' A' ' 26' ' ' ARG . 8.0 tp10 -160.09 154.47 23.7 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.811 -0.631 . . . . 2.78 109.682 175.712 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 23.3 m -136.17 133.08 36.78 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.082 0.468 . . . . 0.53 111.086 -178.49 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 13.6 m-30 -98.92 154.37 18.1 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 107.725 -1.213 . . . . 0.96 107.725 173.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' GLU . . . . . 0.516 ' HB2' ' HB3' ' A' ' 128' ' ' LYS . 33.7 mt-10 -131.88 113.54 13.58 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.245 -1.02 . . . . 1.27 108.245 175.276 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 83.7 m-85 -89.84 103.32 15.98 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-O 121.226 0.536 . . . . 0.6 110.384 -178.635 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 12.4 ttp180 -111.74 142.77 43.66 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.277 -0.874 . . . . 3.41 109.27 178.744 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 8.6 tpt180 -96.2 135.46 37.98 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 109.618 -0.512 . . . . 1.96 109.618 -179.642 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -131.35 86.19 2.33 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.395 0.616 . . . . 1.08 109.876 175.798 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 70.02 -112.18 4.24 Favored Glycine 0 N--CA 1.443 -0.873 0 CA-C-N 115.327 -0.852 . . . . 0.92 112.284 179.35 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -96.29 3.45 53.01 Favored 'General case' 0 C--N 1.323 -0.586 0 O-C-N 122.791 -0.241 . . . . 2.31 110.976 -177.404 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 94.9 m-85 -119.82 144.68 47.21 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.158 0.504 . . . . 0.67 111.568 -178.493 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -96.94 125.91 41.7 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 107.152 -1.425 . . . . 1.03 107.152 172.332 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 59.4 t -116.69 127.18 74.37 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.831 0 CA-C-O 121.259 0.552 . . . . 0.47 110.658 -170.567 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 127' ' ' MET . . . . . 0.477 ' HB3' ' HB2' ' A' ' 138' ' ' ARG . 20.0 ttm -97.97 143.29 28.69 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 115.464 -0.789 . . . . 1.08 110.351 177.391 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 128' ' ' LYS . . . . . 0.516 ' HB3' ' HB2' ' A' ' 117' ' ' GLU . 5.4 tppp? -119.15 126.61 52.0 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 109.33 -0.618 . . . . 2.2 109.33 174.498 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 129' ' ' MET . . . . . 0.497 ' HB2' ' CG2' ' A' ' 136' ' ' THR . 59.9 mtp -128.44 135.59 49.69 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 107.816 -1.179 . . . . 1.11 107.816 174.018 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 3.4 p -146.43 122.58 10.82 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 121.231 0.539 . . . . 1.06 111.954 -177.017 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 131' ' ' TRP . . . . . 0.649 ' CD1' ' HG2' ' A' ' 132' ' ' LYS . 64.2 t-105 -139.82 132.72 29.28 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.092 -0.958 . . . . 0.76 109.45 179.33 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 132' ' ' LYS . . . . . 0.649 ' HG2' ' CD1' ' A' ' 131' ' ' TRP . 75.5 mmtt 57.38 34.37 24.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.697 -0.683 . . . . 1.96 110.882 -177.424 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 75.99 5.61 80.6 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.873 -0.68 . . . . 0.53 113.539 179.679 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 51.4 t -101.97 107.3 21.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 N-CA-C 110.043 -0.355 . . . . 0.43 110.043 177.527 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 135' ' ' SER . . . . . 0.4 ' HA ' ' O ' ' A' ' 129' ' ' MET . 8.2 m -95.61 153.19 17.84 Favored 'General case' 0 N--CA 1.436 -1.158 0 CA-C-O 121.28 0.562 . . . . 1.14 111.194 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 136' ' ' THR . . . . . 0.497 ' CG2' ' HB2' ' A' ' 129' ' ' MET . 2.9 t -137.12 136.62 38.46 Favored 'General case' 0 C--N 1.313 -1.015 0 CA-C-N 115.286 -0.87 . . . . 0.4 109.833 174.537 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 38.3 m -107.86 114.8 29.01 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.179 0.514 . . . . 0.79 109.877 177.628 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 138' ' ' ARG . . . . . 0.534 HH11 ' HG3' ' A' ' 138' ' ' ARG . 7.9 mmm-85 -98.46 113.4 25.38 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 108.846 -0.798 . . . . 1.84 108.846 -179.274 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 94.9 m-85 -94.01 112.58 24.43 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.111 0.482 . . . . 0.64 111.078 -174.801 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 140' ' ' TYR . . . . . 0.447 ' HA ' ' HA ' ' A' ' 13' ' ' LEU . 74.1 m-85 -105.5 130.76 53.5 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.505 -0.77 . . . . 0.6 109.789 178.044 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 141' ' ' LYS . . . . . 0.447 ' HG3' ' O ' ' A' ' 142' ' ' LYS . 10.5 ptmt -98.18 164.52 12.29 Favored 'General case' 0 C--N 1.313 -0.994 0 N-CA-C 107.181 -1.414 . . . . 1.92 107.181 171.81 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 142' ' ' LYS . . . . . 0.447 ' O ' ' HG3' ' A' ' 141' ' ' LYS . 21.5 tptm -54.11 171.9 0.1 Allowed 'General case' 0 C--N 1.314 -0.956 0 CA-C-O 121.452 0.644 . . . . 2.13 111.207 172.884 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 143' ' ' GLN . . . . . 0.65 ' NE2' ' HB3' ' A' ' 12' ' ' LYS . 60.7 mm-40 . . . . . 0 C--O 1.248 0.98 0 O-C-N 121.252 -0.905 . . . . 1.46 109.807 158.58 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1001 ' ' OLA . . . . . 0.672 ' H9 ' ' HA ' ' A' ' 36' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' -11' ' ' MET . . . . . . . . . . . . . 60.6 ttp . . . . . 0 N--CA 1.481 1.118 0 CA-C-O 120.762 0.315 . . . . 14.47 110.972 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' -10' ' ' ARG . . . . . . . . . . . . . 39.1 mmt180 -90.37 72.72 7.05 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.884 0.373 . . . . 15.82 110.972 -177.705 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' -9' ' ' GLY . . . . . . . . . . . . . . . 134.38 119.29 1.95 Allowed Glycine 0 N--CA 1.445 -0.75 0 C-N-CA 120.435 -0.888 . . . . 11.88 112.562 177.795 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' -8' ' ' SER . . . . . . . . . . . . . 38.4 t -161.26 138.73 9.04 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.942 0.401 . . . . 11.68 109.949 177.328 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' -7' ' ' HIS . . . . . . . . . . . . . 14.3 t60 -86.06 -6.0 59.11 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.313 -0.625 . . . . 11.79 109.313 178.277 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' -6' ' ' HIS . . . . . . . . . . . . . 74.4 m-70 -92.12 117.83 30.23 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.595 -0.73 . . . . 10.98 110.009 -179.417 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' -5' ' ' HIS . . . . . 0.528 ' O ' ' HA2' ' A' ' -1' ' ' GLY . 1.3 p80 -145.31 79.28 1.58 Allowed 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.485 0.659 . . . . 9.31 110.712 -177.057 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' -4' ' ' HIS . . . . . . . . . . . . . 30.3 m-70 -104.56 -169.87 1.68 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.729 -0.669 . . . . 10.54 109.978 178.321 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' -3' ' ' HIS . . . . . . . . . . . . . 81.3 m-70 68.91 -70.74 0.13 Allowed 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 123.039 0.536 . . . . 8.73 110.561 -178.697 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 66.0 m-70 -90.65 -37.4 13.79 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.791 -0.448 . . . . 7.06 109.791 175.533 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' -1' ' ' GLY . . . . . 0.528 ' HA2' ' O ' ' A' ' -5' ' ' HIS . . . 66.46 59.66 7.04 Favored Glycine 0 N--CA 1.444 -0.772 0 N-CA-C 110.812 -0.915 . . . . 3.5 110.812 -174.504 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 8.8 m 72.02 150.4 0.1 Allowed 'General case' 0 C--N 1.329 -0.32 0 O-C-N 124.671 0.865 . . . . 3.11 110.237 -175.664 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.474 ' O ' HD11 ' A' ' 74' ' ' LEU . 26.9 mtpp -81.85 93.53 6.89 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 108.582 -0.895 . . . . 2.99 108.582 172.646 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.9 m -59.79 130.18 45.54 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.803 0.335 . . . . 0.99 110.263 -172.591 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.545 HD23 ' HD2' ' A' ' 4' ' ' PRO . 0.4 OUTLIER -58.73 120.46 45.96 Favored Pre-proline 0 C--N 1.324 -0.508 0 CA-C-N 115.589 -0.732 . . . . 0.59 110.772 -176.746 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.545 ' HD2' HD23 ' A' ' 3' ' ' LEU . 76.8 Cg_exo -51.8 119.92 6.34 Favored 'Trans proline' 0 N--CA 1.461 -0.385 0 C-N-CA 122.774 2.316 . . . . 0.61 111.667 173.51 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.479 ' HA ' HD12 ' A' ' 8' ' ' LEU . 28.8 t70 -51.64 -27.33 11.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.528 -0.76 . . . . 2.19 111.967 -179.356 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.401 ' HB3' ' HG3' ' A' ' 120' ' ' ARG . 44.6 mmtm -56.61 -30.78 63.62 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.045 0.387 . . . . 2.53 112.045 176.832 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -84.49 -8.98 58.76 Favored 'General case' 0 C--O 1.225 -0.212 0 O-C-N 122.08 -0.388 . . . . 0.6 110.792 -177.561 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.479 HD12 ' HA ' ' A' ' 5' ' ' ASP . 91.4 mt -92.89 133.9 35.63 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.112 0.482 . . . . 0.46 111.125 -170.398 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 149.0 175.08 21.14 Favored Glycine 0 N--CA 1.446 -0.675 0 CA-C-N 115.358 -0.837 . . . . 0.52 111.986 -179.342 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 4.6 m -111.47 115.45 29.24 Favored 'General case' 0 N--CA 1.446 -0.657 0 N-CA-C 109.187 -0.671 . . . . 1.05 109.187 177.352 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 61.1 m-85 -115.3 131.2 57.0 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 112.9 0.704 . . . . 0.47 112.9 -169.242 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.472 ' HG2' ' CD ' ' A' ' 143' ' ' GLN . 18.5 mmtp -82.42 128.08 33.91 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 115.878 -0.601 . . . . 2.19 110.893 167.304 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.427 HD12 ' HB ' ' A' ' 41' ' ' VAL . 5.5 tt -55.41 121.79 9.76 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.309 -0.405 . . . . 1.14 110.035 171.466 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.434 ' HB2' ' HG3' ' A' ' 141' ' ' LYS . 7.2 tp10 -93.29 -54.64 3.61 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-O 120.645 0.26 . . . . 2.08 110.764 179.588 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 5.8 ptp180 -159.05 178.84 9.62 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 120.888 0.375 . . . . 3.36 111.495 -175.127 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -145.62 155.01 42.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.708 -0.678 . . . . 1.19 110.073 177.832 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -95.47 -51.83 4.4 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.584 0.587 . . . . 2.66 112.584 -175.206 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -146.83 52.39 1.1 Allowed 'General case' 0 C--O 1.238 0.463 0 CA-C-O 121.96 0.886 . . . . 0.76 110.517 -176.511 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.72 ' HE1' ' HE2' ' A' ' 129' ' ' MET . 11.0 t80 -77.5 -36.14 52.9 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.244 -0.889 . . . . 0.49 110.974 -172.738 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -57.08 -57.41 12.7 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.531 -0.304 . . . . 2.04 111.486 178.502 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -59.11 -36.67 75.57 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.772 -0.194 . . . . 1.79 111.271 178.479 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.563 ' O ' ' HB2' ' A' ' 26' ' ' ARG . 78.3 t80 -56.24 -41.07 75.14 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.894 0.378 . . . . 0.57 110.262 175.308 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.493 ' HG ' ' O ' ' A' ' 19' ' ' PHE . 96.0 mt -68.0 -38.78 83.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.049 -0.523 . . . . 0.37 110.724 -179.063 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 39.4 mttp -63.47 -52.49 61.13 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-O 121.071 0.462 . . . . 1.88 110.302 178.204 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.06 -37.71 80.69 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.708 -0.678 . . . . 0.44 111.13 178.715 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.563 ' HB2' ' O ' ' A' ' 22' ' ' TYR . 0.3 OUTLIER -65.84 -13.39 59.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.845 -0.616 . . . . 1.29 110.942 -178.552 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 93.7 20.8 30.5 Favored Glycine 0 N--CA 1.447 -0.584 0 C-N-CA 120.628 -0.796 . . . . 0.62 112.717 179.459 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.401 ' CD1' ' HB3' ' A' ' 26' ' ' ARG . 60.5 m-85 -93.21 125.26 37.71 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.995 0.426 . . . . 0.64 110.283 177.099 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -78.41 -178.27 49.54 Favored Glycine 0 N--CA 1.443 -0.853 0 C-N-CA 120.685 -0.769 . . . . 1.54 111.688 -177.844 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.493 ' O ' ' HG2' ' A' ' 34' ' ' GLN . 88.2 t90 -50.64 -49.33 57.18 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 122.536 0.334 . . . . 1.18 111.717 -176.88 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.402 HD13 ' HA ' ' A' ' 31' ' ' ILE . 1.9 mm -56.4 -56.79 11.66 Favored 'Isoleucine or valine' 0 C--O 1.232 0.142 0 N-CA-C 111.881 0.326 . . . . 2.16 111.881 -178.855 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.427 ' CE ' H121 ' A' 1001 ' ' OLA . 66.1 mmm -60.84 -37.43 82.04 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.672 0.272 . . . . 0.97 110.924 179.58 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.432 HH11 ' HD3' ' A' ' 33' ' ' ARG . 39.9 ttp-105 -69.4 -20.53 63.81 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.117 -0.492 . . . . 1.87 110.425 -178.483 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.493 ' HG2' ' O ' ' A' ' 30' ' ' TRP . 27.4 mm-40 -83.43 -34.7 25.41 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.194 -0.457 . . . . 1.97 110.455 175.402 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.437 HG13 ' HE3' ' A' ' 64' ' ' LYS . 75.0 t -76.59 -67.49 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-O 121.179 0.514 . . . . 0.68 111.101 -179.555 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.669 ' HA ' ' H9 ' ' A' 1001 ' ' OLA . 97.0 mt -38.59 -58.75 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 N-CA-C 114.962 1.467 . . . . 0.51 114.962 -176.519 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.41 ' HG2' ' O ' ' A' ' 33' ' ' ARG . 60.4 pttt -84.1 0.03 50.03 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.098 -0.641 . . . . 0.97 112.052 -170.82 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.509 ' C ' HD13 ' A' ' 38' ' ' LEU . 1.1 tm? -93.43 -37.13 12.13 Favored 'General case' 0 N--CA 1.442 -0.836 0 N-CA-C 109.149 -0.685 . . . . 2.08 109.149 178.31 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -59.55 124.89 21.52 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 115.481 -0.781 . . . . 1.03 111.472 -179.57 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.496 ' O ' ' HA ' ' A' ' 62' ' ' THR . . . -68.96 139.52 32.88 Favored Glycine 0 N--CA 1.446 -0.643 0 N-CA-C 110.847 -0.901 . . . . 0.84 110.847 174.93 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.427 ' HB ' HD12 ' A' ' 13' ' ' LEU . 54.5 t -122.85 127.31 74.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-O 121.28 0.562 . . . . 1.3 111.427 -174.329 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.444 HG23 HE21 ' A' ' 143' ' ' GLN . 44.3 m -106.0 106.18 16.57 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.307 -0.86 . . . . 0.45 110.111 174.547 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.414 ' HZ1' ' C1 ' ' A' 1001 ' ' OLA . 36.5 mmtm -81.42 122.11 27.09 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.327 -0.62 . . . . 0.79 109.327 175.176 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -129.8 117.06 19.64 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-O 120.834 0.35 . . . . 1.96 111.076 -172.768 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.412 ' HB2' ' HA ' ' A' ' 8' ' ' LEU . 58.5 m-85 -122.61 130.7 53.29 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.016 -0.538 . . . . 0.54 109.722 178.286 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.508 ' HG3' ' HB3' ' A' ' 57' ' ' ASP . 35.2 ptt180 -156.94 172.56 18.45 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.87 0.367 . . . . 3.17 111.231 -179.402 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.429 ' HA ' ' CD2' ' A' ' 56' ' ' TYR . 13.3 m120 -63.02 159.78 16.41 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.59 -0.732 . . . . 1.85 109.102 170.595 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.418 ' HA ' ' HB2' ' A' ' 57' ' ' ASP . . . -53.16 142.93 19.24 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 118.162 0.437 . . . . 0.87 111.906 -177.326 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -45.02 -60.47 2.06 Favored 'General case' 0 C--O 1.237 0.402 0 O-C-N 123.834 0.708 . . . . 1.48 112.833 -175.305 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 66.5 m -58.67 -42.44 88.44 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.489 0.661 . . . . 2.37 110.219 178.659 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 115.66 32.09 1.82 Allowed Glycine 0 N--CA 1.448 -0.502 0 CA-C-N 114.781 -1.099 . . . . 1.91 111.195 179.022 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 52.5 mtmt -87.19 127.69 58.24 Favored Pre-proline 0 C--N 1.322 -0.593 0 N-CA-C 109.501 -0.555 . . . . 3.17 109.501 -177.888 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.444 ' O ' ' HB2' ' A' ' 54' ' ' ASP . 26.3 Cg_endo -60.13 151.6 71.73 Favored 'Trans proline' 0 C--O 1.236 0.415 0 C-N-CA 123.032 2.488 . . . . 1.84 112.862 -175.908 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.444 ' HB2' ' O ' ' A' ' 53' ' ' PRO . 20.6 m-20 86.54 -58.8 0.05 Allowed 'General case' 0 CA--C 1.516 -0.334 0 O-C-N 124.689 1.243 . . . . 2.44 108.796 177.897 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.434 ' HD2' ' N ' ' A' ' 55' ' ' ARG . 4.7 mpt_? -68.38 137.86 54.89 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 114.892 -1.049 . . . . 4.1 112.111 177.316 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.429 ' CD2' ' HA ' ' A' ' 47' ' ' ASN . 43.6 m-85 -120.51 174.88 6.28 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.124 -0.943 . . . . 0.97 110.237 177.061 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.508 ' HB3' ' HG3' ' A' ' 46' ' ' ARG . 20.0 t70 -130.06 134.48 47.41 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.237 -0.653 . . . . 1.1 109.237 -177.673 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 1.6 tmt? -143.31 129.27 19.54 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.599 0.238 . . . . 0.98 110.397 -175.896 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.424 ' HG2' ' HA ' ' A' ' 68' ' ' HIS . 48.7 mt-10 -133.24 155.61 49.04 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.193 0.52 . . . . 1.11 111.876 -174.135 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.433 ' HB2' ' OG1' ' A' ' 67' ' ' THR . 54.0 m-80 -128.94 94.62 3.88 Favored 'General case' 0 CA--C 1.515 -0.366 0 CA-C-N 115.302 -0.863 . . . . 1.17 109.906 177.72 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.442 ' HB3' ' HB ' ' A' ' 42' ' ' THR . 63.1 tp -89.56 126.0 35.43 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 109.948 -0.39 . . . . 1.67 109.948 -179.876 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.496 ' HA ' ' O ' ' A' ' 40' ' ' GLY . 19.2 p -135.27 -174.17 3.54 Favored 'General case' 0 N--CA 1.451 -0.398 0 N-CA-C 109.736 -0.468 . . . . 0.45 109.736 -178.847 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 18.4 p -91.8 -20.49 21.44 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.936 0.398 . . . . 0.54 110.953 -178.206 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.437 ' HE3' HG13 ' A' ' 35' ' ' VAL . 75.9 mmtt -107.94 -33.87 7.08 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.919 0.39 . . . . 2.24 111.167 -173.507 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.691 ' HG3' ' H ' ' A' ' 66' ' ' ASP . 22.3 tptp -139.27 -142.27 0.15 Allowed 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 109.331 -0.618 . . . . 1.82 109.331 -178.923 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.691 ' H ' ' HG3' ' A' ' 65' ' ' LYS . 15.2 t70 160.55 129.51 0.0 OUTLIER 'General case' 0 C--N 1.308 -1.227 0 O-C-N 124.406 1.067 . . . . 2.12 109.677 -168.245 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.482 HG23 HD13 ' A' ' 83' ' ' LEU . 13.0 p -126.8 157.7 38.53 Favored 'General case' 0 C--N 1.314 -0.957 0 N-CA-C 108.584 -0.895 . . . . 0.56 108.584 168.442 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.424 ' HA ' ' HG2' ' A' ' 59' ' ' GLU . 0.3 OUTLIER -152.85 80.88 1.21 Allowed 'General case' 0 C--N 1.314 -0.96 0 CA-C-O 121.835 0.826 . . . . 1.95 110.391 -176.818 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -67.1 87.15 0.15 Allowed 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 114.429 -1.26 . . . . 0.39 109.453 178.629 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -87.93 127.75 35.37 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 112.854 0.687 . . . . 2.3 112.854 -177.693 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 17.2 t70 62.43 67.83 0.7 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 114.81 -1.086 . . . . 2.07 110.959 170.241 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 68.2 p-90 -119.21 162.11 19.24 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.824 -0.626 . . . . 0.43 110.991 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -124.62 146.34 49.13 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.081 -0.711 . . . . 0.55 109.081 171.777 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.739 HD13 ' H ' ' A' ' 74' ' ' LEU . 0.0 OUTLIER -61.84 140.19 58.29 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.757 0.789 . . . . 1.71 110.122 173.3 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 84.23 7.92 84.38 Favored Glycine 0 N--CA 1.444 -0.778 0 CA-C-N 114.871 -1.059 . . . . 0.59 111.88 -170.203 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -117.29 125.46 51.12 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-O 121.354 0.597 . . . . 2.37 111.412 -178.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.465 ' HA ' ' HA ' ' A' ' 91' ' ' THR . 42.4 tt0 -89.86 127.87 36.08 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.013 -0.994 . . . . 1.4 110.401 173.346 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 21.0 p90 -133.3 154.29 50.83 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.932 -0.577 . . . . 0.57 110.537 -178.536 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -94.13 145.86 24.39 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 110.01 -0.367 . . . . 1.95 110.01 177.784 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 41.9 t0 -152.3 168.14 26.38 Favored 'General case' 0 C--O 1.248 0.977 0 N-CA-C 110.029 -0.36 . . . . 1.26 110.029 -176.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.462 ' O ' HG22 ' A' ' 67' ' ' THR . 10.0 pt-20 -85.13 88.83 7.51 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-O 121.807 0.813 . . . . 2.13 109.829 -178.769 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.559 ' HB1' ' OD1' ' A' ' 84' ' ' ASP . . . -48.31 146.96 2.52 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 113.893 -1.503 . . . . 0.95 114.298 -169.044 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.482 HD13 HG23 ' A' ' 67' ' ' THR . 2.8 mm? -55.83 -36.67 67.75 Favored 'General case' 0 CA--C 1.517 -0.315 0 CA-C-N 115.32 -0.855 . . . . 1.34 108.754 170.545 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.559 ' OD1' ' HB1' ' A' ' 82' ' ' ALA . 6.2 p-10 -78.65 23.62 0.31 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 114.499 -1.228 . . . . 1.55 112.287 -177.752 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 48.0 m 61.44 29.04 18.27 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 115.748 -0.66 . . . . 1.21 112.532 170.038 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 71.8 p -128.67 -174.7 3.31 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.684 -0.487 . . . . 0.93 109.684 174.849 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.439 ' OE1' ' HA ' ' A' ' 81' ' ' GLU . 13.5 mm100 -117.5 119.64 35.65 Favored 'General case' 0 C--N 1.31 -1.124 0 N-CA-C 108.011 -1.107 . . . . 1.88 108.011 172.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' HIS . . . . . 0.712 ' HA ' HG13 ' A' ' 107' ' ' VAL . 20.7 p80 -153.33 169.43 23.11 Favored 'General case' 0 C--N 1.316 -0.858 0 C-N-CA 118.373 -1.331 . . . . 1.04 113.243 179.313 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.404 ' HG2' ' O ' ' A' ' 105' ' ' ILE . 53.7 pttt -81.49 152.98 27.07 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 114.458 -1.246 . . . . 1.49 110.266 -174.366 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.46 ' HA ' ' HA ' ' A' ' 104' ' ' HIS . 67.6 mt -145.91 120.99 3.05 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 CA-C-N 115.18 -0.918 . . . . 0.54 110.077 -176.491 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.465 ' HA ' ' HA ' ' A' ' 77' ' ' GLU . 19.3 m -98.2 124.58 42.86 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-O 120.861 0.362 . . . . 0.43 110.367 175.28 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -102.12 124.08 47.09 Favored 'General case' 0 CA--C 1.506 -0.713 0 N-CA-C 108.157 -1.053 . . . . 0.6 108.157 174.387 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -143.3 138.37 29.49 Favored 'General case' 0 C--N 1.314 -0.949 0 C-N-CA 120.651 -0.419 . . . . 1.69 110.516 -171.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.482 HD22 ' HG ' ' A' ' 100' ' ' LEU . 1.8 mm? -87.34 116.23 25.29 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.281 -0.418 . . . . 1.12 109.915 176.269 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 53.6 tttm -89.92 -52.84 4.77 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.659 -0.7 . . . . 3.03 109.115 -176.739 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -133.98 165.4 36.96 Favored Pre-proline 0 C--N 1.32 -0.699 0 N-CA-C 107.895 -1.15 . . . . 1.79 107.895 174.677 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 13.2 Cg_exo -71.75 4.46 3.08 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.624 2.216 . . . . 0.98 111.312 178.884 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' ASN . . . . . 0.537 ' O ' ' HA ' ' A' ' 119' ' ' ARG . 5.1 t-20 -127.34 0.95 6.35 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.319 -0.855 . . . . 2.32 109.495 178.273 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 24.6 m -143.54 107.72 4.75 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-O 121.238 0.542 . . . . 0.56 112.039 -175.34 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.544 HD23 ' N ' ' A' ' 101' ' ' THR . 3.2 tt -91.77 143.39 26.58 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 107.386 -1.339 . . . . 1.1 107.386 172.59 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.544 ' N ' HD23 ' A' ' 100' ' ' LEU . 33.0 p -125.94 141.93 51.75 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 119.576 1.08 . . . . 0.41 112.476 -179.205 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.598 ' O ' ' HA ' ' A' ' 115' ' ' THR . 34.8 tt0 -112.05 109.76 19.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.418 -0.81 . . . . 1.31 109.695 172.703 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 54.3 m -103.22 101.43 11.37 Favored 'General case' 0 C--N 1.317 -0.808 0 N-CA-C 108.978 -0.749 . . . . 0.51 108.978 175.612 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' HIS . . . . . 0.46 ' HA ' ' HA ' ' A' ' 90' ' ' ILE . 0.8 OUTLIER -111.58 135.91 51.51 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-O 121.14 0.495 . . . . 1.69 110.714 -174.736 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.664 ' O ' ' HB2' ' A' ' 88' ' ' HIS . 48.7 mt -137.44 137.88 45.44 Favored 'Isoleucine or valine' 0 C--O 1.233 0.214 0 CA-C-N 115.231 -0.895 . . . . 0.75 111.278 -172.615 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.562 ' HB2' ' O ' ' A' ' 109' ' ' ASP . 34.1 mmtm -59.39 123.82 18.01 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.975 -0.557 . . . . 1.61 111.866 174.255 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.712 HG13 ' HA ' ' A' ' 88' ' ' HIS . 19.2 m -68.61 -27.97 38.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 115.832 -0.622 . . . . 1.32 110.209 171.559 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -72.16 -67.78 0.52 Allowed 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.356 -0.838 . . . . 2.5 109.97 177.626 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.562 ' O ' ' HB2' ' A' ' 106' ' ' LYS . 6.8 p-10 -124.19 93.16 47.23 Favored Pre-proline 0 C--N 1.323 -0.571 0 CA-C-N 115.307 -0.86 . . . . 2.39 110.128 178.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.457 ' HD2' ' HA ' ' A' ' 109' ' ' ASP . 51.4 Cg_endo -67.0 14.26 0.13 Allowed 'Trans proline' 0 C--O 1.233 0.247 0 C-N-CA 123.871 3.047 . . . . 0.9 113.865 -175.669 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 32.3 p -76.49 -22.5 54.43 Favored 'General case' 0 N--CA 1.443 -0.812 0 N-CA-C 109.427 -0.583 . . . . 1.47 109.427 172.225 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' ASP . . . . . 0.551 ' HB3' ' CG ' ' A' ' 106' ' ' LYS . 38.1 t70 -78.9 92.06 4.85 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.454 -0.794 . . . . 1.59 109.635 172.625 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.489 HG12 HG12 ' A' ' 105' ' ' ILE . 0.0 OUTLIER -117.16 124.35 72.91 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.608 0 CA-C-N 115.595 -0.729 . . . . 1.6 111.024 -178.983 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.419 ' HB3' ' CD2' ' A' ' 104' ' ' HIS . 40.8 tt0 -147.87 147.11 29.41 Favored 'General case' 0 C--N 1.317 -0.828 0 C-N-CA 120.144 -0.622 . . . . 2.78 111.578 -177.01 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 115' ' ' THR . . . . . 0.598 ' HA ' ' O ' ' A' ' 102' ' ' GLU . 31.6 m -135.52 127.24 29.12 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 115.848 -0.615 . . . . 0.53 110.986 -179.648 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 116' ' ' TYR . . . . . 0.422 ' CE2' ' HE1' ' A' ' 104' ' ' HIS . 18.6 m-85 -106.18 155.26 19.63 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 107.204 -1.406 . . . . 0.96 107.204 171.552 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 117' ' ' GLU . . . . . 0.527 ' HG2' HG22 ' A' ' 101' ' ' THR . 26.3 mt-10 -130.04 130.7 45.27 Favored 'General case' 0 N--CA 1.447 -0.596 0 N-CA-C 108.589 -0.893 . . . . 1.27 108.589 -175.742 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 50.8 m-85 -101.86 103.27 13.95 Favored 'General case' 0 C--N 1.316 -0.854 0 N-CA-C 109.814 -0.439 . . . . 0.6 109.814 -179.619 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' ARG . . . . . 0.537 ' HA ' ' O ' ' A' ' 98' ' ' ASN . 69.1 mtp85 -102.57 157.06 17.2 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.955 -0.566 . . . . 3.41 110.151 179.394 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 120' ' ' ARG . . . . . 0.663 ' NH2' ' HA ' ' A' ' 123' ' ' ASP . 6.4 mmm180 -117.65 118.26 31.61 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 120.949 0.404 . . . . 1.96 111.995 178.043 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -132.06 118.91 20.29 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.551 -0.75 . . . . 1.08 109.883 175.098 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 70.2 -116.57 6.77 Favored Glycine 0 N--CA 1.447 -0.567 0 N-CA-C 110.792 -0.923 . . . . 0.92 110.792 -174.575 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 123' ' ' ASP . . . . . 0.663 ' HA ' ' NH2' ' A' ' 120' ' ' ARG . 28.3 t70 -121.73 19.28 11.08 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.625 0.726 . . . . 2.31 109.515 172.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 124' ' ' TYR . . . . . 0.67 ' CE2' ' HB3' ' A' ' 141' ' ' LYS . 88.5 m-85 -102.75 133.77 47.25 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.635 -0.711 . . . . 0.67 111.073 -178.156 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.464 ' HB3' ' HB2' ' A' ' 140' ' ' TYR . 3.1 tm? -81.49 111.48 17.85 Favored 'General case' 0 N--CA 1.445 -0.715 0 N-CA-C 107.162 -1.421 . . . . 1.03 107.162 171.05 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 46.8 t -101.19 108.36 23.23 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.862 0 CA-C-O 121.046 0.451 . . . . 0.47 110.213 -171.226 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 127' ' ' MET . . . . . . . . . . . . . 10.3 ttm -81.43 123.96 29.03 Favored 'General case' 0 C--N 1.313 -0.983 0 CA-C-N 115.743 -0.662 . . . . 1.08 110.008 176.669 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 22.4 tptm -117.22 128.05 54.71 Favored 'General case' 0 C--N 1.315 -0.903 0 N-CA-C 108.703 -0.851 . . . . 2.2 108.703 178.424 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 129' ' ' MET . . . . . 0.72 ' HE2' ' HE1' ' A' ' 19' ' ' PHE . 7.2 ptm -150.1 135.54 18.17 Favored 'General case' 0 C--N 1.311 -1.077 0 N-CA-C 109.231 -0.655 . . . . 1.11 109.231 -175.478 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 1.8 m -140.77 136.92 32.99 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 120.905 0.383 . . . . 1.06 111.012 -176.818 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 131' ' ' TRP . . . . . 0.606 ' CD1' ' HD3' ' A' ' 132' ' ' LYS . 33.0 t-105 -141.32 125.33 17.2 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.892 -0.595 . . . . 0.76 110.09 -178.119 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 132' ' ' LYS . . . . . 0.606 ' HD3' ' CD1' ' A' ' 131' ' ' TRP . 13.9 mptt 48.9 45.19 22.48 Favored 'General case' 0 C--N 1.33 -0.283 0 O-C-N 123.695 0.622 . . . . 1.96 112.051 -179.118 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 82.65 -7.22 66.12 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.941 -0.647 . . . . 0.53 113.604 177.581 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 16.5 t -94.34 104.68 16.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 117.353 0.576 . . . . 0.43 110.055 178.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 1.3 m -99.46 150.22 22.41 Favored 'General case' 0 N--CA 1.441 -0.892 0 CA-C-N 116.019 -0.537 . . . . 1.14 110.684 -179.541 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 5.8 t -152.19 143.47 23.28 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.881 -0.6 . . . . 0.4 111.013 176.696 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 37.9 m -110.3 125.78 53.52 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.6 -0.727 . . . . 0.79 110.182 174.218 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 9.2 mtm180 -107.78 114.94 29.26 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.028 -0.73 . . . . 1.84 109.028 175.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 91.2 m-85 -91.47 121.03 32.81 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.124 -0.489 . . . . 0.64 111.344 -173.129 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 140' ' ' TYR . . . . . 0.464 ' HB2' ' HB3' ' A' ' 125' ' ' LEU . 61.0 m-85 -111.6 137.04 49.98 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.405 -0.816 . . . . 0.6 110.111 178.037 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 141' ' ' LYS . . . . . 0.67 ' HB3' ' CE2' ' A' ' 124' ' ' TYR . 0.0 OUTLIER -120.7 165.09 15.57 Favored 'General case' 0 C--O 1.208 -1.104 0 N-CA-C 107.755 -1.202 . . . . 1.92 107.755 174.024 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 60.0 mttp -49.13 164.47 0.07 Allowed 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 119.033 0.833 . . . . 2.13 112.685 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 143' ' ' GLN . . . . . 0.472 ' CD ' ' HG2' ' A' ' 12' ' ' LYS . 46.8 mm-40 . . . . . 0 C--O 1.25 1.095 0 O-C-N 121.299 -0.876 . . . . 1.46 110.495 165.748 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1001 ' ' OLA . . . . . 0.669 ' H9 ' ' HA ' ' A' ' 36' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' -11' ' ' MET . . . . . . . . . . . . . 26.1 mmt . . . . . 0 N--CA 1.481 1.1 0 CA-C-O 120.742 0.306 . . . . 14.47 110.183 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' -10' ' ' ARG . . . . . . . . . . . . . 77.5 mtp180 -120.17 -6.95 9.9 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.909 0.385 . . . . 15.82 111.069 -178.384 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' -9' ' ' GLY . . . . . . . . . . . . . . . 84.1 10.65 80.18 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.945 -0.645 . . . . 11.88 112.731 178.391 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' -8' ' ' SER . . . . . . . . . . . . . 20.0 m -91.22 -49.63 6.27 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.632 0.253 . . . . 11.68 111.273 -177.063 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' -7' ' ' HIS . . . . . . . . . . . . . 14.1 p-80 -112.94 150.41 31.88 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 120.964 -0.295 . . . . 11.79 110.556 -178.714 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' -6' ' ' HIS . . . . . . . . . . . . . 37.8 t-80 58.58 44.57 17.46 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 121.502 0.668 . . . . 10.98 109.744 179.802 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' -5' ' ' HIS . . . . . . . . . . . . . 13.9 p-80 -104.63 -7.01 19.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.771 -0.65 . . . . 9.31 111.87 -174.045 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' -4' ' ' HIS . . . . . . . . . . . . . 8.8 p80 -71.13 -23.98 62.19 Favored 'General case' 0 N--CA 1.464 0.23 0 C-N-CA 120.61 -0.436 . . . . 10.54 110.089 179.389 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' -3' ' ' HIS . . . . . . . . . . . . . 27.7 m80 -150.24 97.43 2.55 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.817 -0.629 . . . . 8.73 109.477 172.156 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 15.6 t-80 -89.39 54.15 2.84 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.37 0.605 . . . . 7.06 110.422 -176.101 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 88.5 153.33 26.43 Favored Glycine 0 N--CA 1.447 -0.623 0 C-N-CA 120.912 -0.661 . . . . 3.5 112.201 -179.421 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 14.3 m -92.76 128.87 38.78 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 120.684 0.278 . . . . 3.11 110.614 -179.59 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.424 ' O ' HD11 ' A' ' 74' ' ' LEU . 28.7 mtpp -70.67 118.75 13.87 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 108.948 -0.76 . . . . 2.99 108.948 172.104 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.3 m -66.05 125.86 26.79 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 109.596 -0.52 . . . . 0.99 109.596 -177.702 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.59 HD23 ' HD2' ' A' ' 4' ' ' PRO . 0.4 OUTLIER -57.3 120.89 43.41 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-N 116.062 -0.517 . . . . 0.59 110.817 -176.655 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.59 ' HD2' HD23 ' A' ' 3' ' ' LEU . 44.0 Cg_exo -56.18 123.81 14.75 Favored 'Trans proline' 0 N--CA 1.459 -0.512 0 C-N-CA 122.666 2.244 . . . . 0.61 111.015 174.293 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.467 ' HA ' HD12 ' A' ' 8' ' ' LEU . 4.2 m-20 -53.04 -21.97 5.26 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.819 -0.628 . . . . 2.19 112.398 -178.374 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 52.2 mtmt -52.42 -32.22 38.16 Favored 'General case' 0 CA--C 1.532 0.255 0 N-CA-C 112.042 0.386 . . . . 2.53 112.042 176.317 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 30.3 m-85 -92.55 -2.12 56.42 Favored 'General case' 0 C--N 1.331 -0.21 0 O-C-N 122.2 -0.313 . . . . 0.6 111.743 -175.501 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.467 HD12 ' HA ' ' A' ' 5' ' ' ASP . 89.8 mt -95.19 142.08 28.04 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.071 0.462 . . . . 0.46 111.413 -170.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 136.38 174.78 13.49 Favored Glycine 0 N--CA 1.448 -0.558 0 CA-C-N 115.47 -0.786 . . . . 0.52 112.126 179.613 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.499 HG23 ' HG2' ' A' ' 44' ' ' LYS . 52.7 m -102.97 120.39 40.56 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.843 -0.429 . . . . 1.05 109.843 175.699 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.5 ' HA ' ' HA ' ' A' ' 142' ' ' LYS . 23.9 m-85 -118.82 135.27 54.63 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.953 -0.112 . . . . 0.47 111.29 -175.438 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.59 ' HD3' ' O ' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -94.49 139.8 30.67 Favored 'General case' 0 C--O 1.235 0.312 0 C-N-CA 120.247 -0.581 . . . . 2.19 110.551 169.375 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.0 tt -55.75 112.64 1.21 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.03 -0.532 . . . . 1.14 110.895 174.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -78.58 -52.13 8.92 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.675 -0.491 . . . . 2.08 109.675 179.238 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 28.7 ptt-85 -162.75 177.11 9.61 Favored 'General case' 0 C--O 1.234 0.266 0 N-CA-C 110.036 -0.357 . . . . 3.36 110.036 178.215 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -134.02 159.14 41.7 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.482 -0.326 . . . . 1.19 110.623 -177.436 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -141.38 117.42 10.57 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.363 -0.38 . . . . 2.66 110.246 179.642 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 42.2 t30 68.86 25.3 6.2 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-O 121.516 0.674 . . . . 0.76 110.951 176.422 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.604 ' CD1' ' HD2' ' A' ' 138' ' ' ARG . 19.5 t80 -76.02 -41.21 51.68 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.549 -0.75 . . . . 0.49 110.676 -176.116 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.425 ' O ' ' HG3' ' A' ' 24' ' ' LYS . 16.3 t70 -54.62 -52.0 63.6 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.979 0.419 . . . . 2.04 110.447 176.598 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 63.7 mm-40 -53.76 -43.25 69.02 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.574 -0.739 . . . . 1.79 111.449 177.195 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 80.3 t80 -58.05 -41.28 82.96 Favored 'General case' 0 C--O 1.226 -0.161 0 CA-C-N 116.615 -0.266 . . . . 0.57 110.626 176.471 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.446 ' HG ' ' O ' ' A' ' 19' ' ' PHE . 90.0 mt -65.66 -41.02 93.01 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.821 0.343 . . . . 0.37 110.405 -178.242 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.425 ' HG3' ' O ' ' A' ' 20' ' ' ASP . 27.4 mtpp -61.72 -52.95 62.16 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.37 0.605 . . . . 1.88 109.825 177.561 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.87 -40.14 79.49 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 114.877 -1.056 . . . . 0.44 111.179 178.477 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 23.7 tpt85 -67.82 -19.52 65.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.714 -0.676 . . . . 1.29 111.184 -177.302 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 103.77 25.39 7.25 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.654 -0.784 . . . . 0.62 113.5 179.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 59.4 m-85 -99.28 127.27 45.26 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 117.159 0.479 . . . . 0.64 110.69 177.854 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.523 ' O ' ' HG3' ' A' ' 33' ' ' ARG . . . -75.4 178.65 47.2 Favored Glycine 0 N--CA 1.446 -0.644 0 CA-C-N 115.543 -0.753 . . . . 1.54 112.57 -179.558 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.551 ' O ' ' HG2' ' A' ' 34' ' ' GLN . 86.7 t90 -49.42 -51.29 36.33 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 122.91 0.484 . . . . 1.18 112.022 -175.296 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.408 ' HA ' HD13 ' A' ' 31' ' ' ILE . 1.3 mm -54.18 -53.79 26.19 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 N-CA-C 111.748 0.277 . . . . 2.16 111.748 -178.806 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.582 ' O ' HG13 ' A' ' 36' ' ' ILE . 69.2 mmm -57.98 -40.81 81.57 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.341 -0.39 . . . . 0.97 110.993 179.515 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.523 ' HG3' ' O ' ' A' ' 29' ' ' GLY . 59.8 mtm-85 -68.21 -15.98 63.79 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.766 0.317 . . . . 1.87 111.134 -179.071 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.553 ' O ' HD23 ' A' ' 38' ' ' LEU . 29.0 mm-40 -89.62 -17.8 27.75 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.838 0.351 . . . . 1.97 110.523 176.913 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 57.8 t -95.13 -63.8 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 121.071 0.462 . . . . 0.68 110.876 177.376 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.582 HG13 ' O ' ' A' ' 32' ' ' MET . 34.9 mt -45.72 -49.11 4.47 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.424 0 N-CA-C 114.447 1.277 . . . . 0.51 114.447 -174.442 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.617 ' HG3' HD22 ' A' ' 38' ' ' LEU . 64.6 pttt -85.28 -0.18 53.92 Favored 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 120.045 -0.662 . . . . 0.97 111.908 -173.507 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.617 HD22 ' HG3' ' A' ' 37' ' ' LYS . 2.7 mm? -110.12 2.01 19.17 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.104 0.478 . . . . 2.08 110.343 176.909 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -85.31 123.52 30.88 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 115.876 -0.602 . . . . 1.03 110.25 178.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.592 ' O ' ' HA ' ' A' ' 62' ' ' THR . . . -66.46 130.53 31.79 Favored Glycine 0 N--CA 1.446 -0.672 0 N-CA-C 111.086 -0.806 . . . . 0.84 111.086 175.005 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.468 HG22 HG22 ' A' ' 62' ' ' THR . 40.7 t -121.04 124.86 73.15 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-O 120.952 0.406 . . . . 1.3 110.578 -174.885 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 15.1 m -114.49 114.24 25.53 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.904 -0.589 . . . . 0.45 110.253 179.298 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.457 ' HE3' ' HE3' ' A' ' 127' ' ' MET . 73.8 mmtt -89.31 136.36 33.07 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.084 -0.507 . . . . 0.79 109.932 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.504 ' O ' ' HA ' ' A' ' 58' ' ' MET . 93.7 mttt -133.55 100.42 4.8 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.604 0.24 . . . . 1.96 111.27 -176.385 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 82.3 m-85 -105.37 129.69 53.64 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.716 -0.476 . . . . 0.54 109.716 175.85 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.419 ' HG3' ' O ' ' A' ' 47' ' ' ASN . 12.3 ptp180 -156.42 172.01 19.26 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 116.64 -0.255 . . . . 3.17 110.528 -178.847 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.419 ' O ' ' HG3' ' A' ' 46' ' ' ARG . 25.5 m-80 -65.5 152.57 43.7 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 108.571 -0.9 . . . . 1.85 108.571 169.173 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.434 ' HA ' ' HB2' ' A' ' 57' ' ' ASP . . . -53.82 134.19 42.48 Favored 'General case' 0 CA--C 1.519 -0.222 0 CA-C-O 121.376 0.608 . . . . 0.87 111.153 -176.89 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.7 -38.98 86.83 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 114.425 -1.261 . . . . 1.48 112.672 -167.733 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 32.5 t -83.37 16.96 2.28 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-O 121.341 0.591 . . . . 2.37 110.957 179.217 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 67.7 36.53 87.74 Favored Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.953 -0.642 . . . . 1.91 112.758 178.672 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -82.22 121.78 78.9 Favored Pre-proline 0 C--N 1.324 -0.532 0 N-CA-C 109.995 -0.372 . . . . 3.17 109.995 177.377 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.461 ' O ' ' HB2' ' A' ' 54' ' ' ASP . 61.1 Cg_endo -70.66 141.17 40.94 Favored 'Trans proline' 0 C--O 1.236 0.376 0 C-N-CA 122.708 2.272 . . . . 1.84 112.007 -177.592 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.461 ' HB2' ' O ' ' A' ' 53' ' ' PRO . 16.1 m-20 79.78 -48.63 0.37 Allowed 'General case' 0 N--CA 1.469 0.523 0 O-C-N 124.091 0.87 . . . . 2.44 109.455 -178.764 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 15.7 mmt180 -60.26 136.0 57.9 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.352 -0.84 . . . . 4.1 111.911 172.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.505 ' CE1' ' HB2' ' A' ' 3' ' ' LEU . 47.4 m-85 -121.18 165.67 15.06 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.316 -0.856 . . . . 0.97 109.856 174.852 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.434 ' HB2' ' HA ' ' A' ' 48' ' ' ALA . 21.2 t70 -120.2 140.03 51.75 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 116.463 -0.335 . . . . 1.1 110.282 -176.852 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.504 ' HA ' ' O ' ' A' ' 44' ' ' LYS . 9.9 tpt -137.36 135.2 36.8 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.253 -0.43 . . . . 0.98 110.244 -178.043 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.453 ' HB3' ' HB2' ' A' ' 44' ' ' LYS . 35.3 tt0 -133.08 137.08 46.25 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 121.03 0.443 . . . . 1.11 110.436 -179.89 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.634 ' HB2' ' OG1' ' A' ' 67' ' ' THR . 0.9 OUTLIER -117.62 90.29 3.3 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 108.454 -0.943 . . . . 1.17 108.454 -178.243 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 59.8 tp -90.44 139.52 30.6 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.388 -0.369 . . . . 1.67 110.358 -177.592 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.592 ' HA ' ' O ' ' A' ' 40' ' ' GLY . 49.3 p -138.4 -164.37 1.62 Allowed 'General case' 0 N--CA 1.445 -0.704 0 N-CA-C 109.342 -0.614 . . . . 0.45 109.342 177.699 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 64.0 p -94.44 -31.4 13.99 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-O 121.22 0.533 . . . . 0.54 110.772 179.167 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.465 ' HB2' ' H82' ' A' 1001 ' ' OLA . 72.2 mmtt -108.83 -11.01 15.08 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.622 -0.717 . . . . 2.24 111.794 -172.879 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.489 ' HG2' ' HA ' ' A' ' 83' ' ' LEU . 12.9 tptp -142.42 -152.99 0.44 Allowed 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 120.911 -0.316 . . . . 1.82 110.904 -177.643 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 15.2 t70 166.97 126.84 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.242 -0.89 . . . . 2.12 110.094 -169.528 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.634 ' OG1' ' HB2' ' A' ' 60' ' ' ASN . 35.4 p -139.68 148.86 42.97 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 109.459 -0.571 . . . . 0.56 109.459 175.217 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 9.8 t-160 -141.22 98.08 3.3 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 121.083 0.468 . . . . 1.95 109.846 -179.422 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 32.3 m-70 -76.9 85.46 3.46 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.702 -0.681 . . . . 0.39 109.467 178.719 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 25.0 mttp -71.76 116.08 11.72 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.539 -0.755 . . . . 2.3 112.564 -175.388 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.4 p30 48.69 82.73 0.04 OUTLIER 'General case' 0 N--CA 1.472 0.632 0 CA-C-O 122.595 1.188 . . . . 2.07 113.276 174.103 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' TRP . . . . . 0.486 ' HE1' ' CB ' ' A' ' 58' ' ' MET . 64.1 p-90 -114.84 162.36 16.99 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 114.453 -1.248 . . . . 0.43 109.518 176.151 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.647 ' O ' ' HB3' ' A' ' 76' ' ' GLU . . . -126.32 151.24 47.82 Favored 'General case' 0 C--N 1.317 -0.812 0 N-CA-C 109.31 -0.626 . . . . 0.55 109.31 172.444 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.656 HD13 ' H ' ' A' ' 74' ' ' LEU . 0.0 OUTLIER -65.27 145.05 56.71 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.528 0.68 . . . . 1.71 110.11 172.241 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 82.01 -9.15 58.07 Favored Glycine 0 N--CA 1.446 -0.684 0 CA-C-N 115.068 -0.969 . . . . 0.59 111.983 -171.273 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.647 ' HB3' ' O ' ' A' ' 73' ' ' ALA . 7.6 tp10 -97.21 150.28 21.08 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.251 0.548 . . . . 2.37 110.663 -175.405 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -129.35 123.08 30.87 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.08 -0.963 . . . . 1.4 108.817 179.191 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 51.0 p90 -131.92 157.12 44.85 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 116.246 -0.433 . . . . 0.57 109.954 -176.154 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 49.1 tt0 -92.23 142.26 27.67 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 109.224 -0.658 . . . . 1.95 109.224 176.702 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 34.0 t0 -164.02 162.61 23.28 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.263 -0.643 . . . . 1.26 109.263 -173.564 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.513 ' HA ' ' HA ' ' A' ' 87' ' ' GLN . 31.9 tt0 -98.75 114.77 27.44 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.522 0.677 . . . . 2.13 109.329 -179.727 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -82.91 174.07 11.25 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 114.636 -1.166 . . . . 0.95 112.055 -174.188 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.489 ' HA ' ' HG2' ' A' ' 65' ' ' LYS . 13.4 mt -64.7 -16.94 63.62 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.358 -0.837 . . . . 1.34 110.812 -179.661 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.534 ' HA ' H131 ' A' 1001 ' ' OLA . 6.2 p30 -77.83 8.85 4.04 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.452 -0.794 . . . . 1.55 112.067 179.398 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 14.5 m 73.7 3.18 4.45 Favored 'General case' 0 N--CA 1.465 0.281 0 C-N-CA 123.285 0.634 . . . . 1.21 112.345 174.689 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 16.6 p -119.38 160.62 21.95 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.749 0.309 . . . . 0.93 110.311 176.348 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.513 ' HA ' ' HA ' ' A' ' 81' ' ' GLU . 10.9 pt20 -114.49 129.52 56.67 Favored 'General case' 0 CA--C 1.507 -0.687 0 CA-C-O 121.608 0.718 . . . . 1.88 110.557 179.861 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' HIS . . . . . 0.812 ' HA ' HG23 ' A' ' 107' ' ' VAL . 4.1 p80 -149.39 175.11 11.75 Favored 'General case' 0 C--N 1.313 -0.994 0 CA-C-N 114.811 -1.086 . . . . 1.04 110.066 -174.065 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 15.2 pttp -79.09 139.99 37.95 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-O 121.324 0.583 . . . . 1.49 109.741 -176.806 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 64.8 mt -134.77 126.34 47.44 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.026 0 CA-C-N 115.142 -0.935 . . . . 0.54 110.329 -173.042 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 8.7 m -109.59 132.68 53.92 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 115.978 -0.555 . . . . 0.43 110.501 179.089 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -108.48 135.11 50.3 Favored 'General case' 0 C--N 1.317 -0.821 0 N-CA-C 108.014 -1.106 . . . . 0.6 108.014 171.691 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -155.06 142.01 19.17 Favored 'General case' 0 C--N 1.317 -0.833 0 C-N-CA 120.639 -0.424 . . . . 1.69 110.886 -176.527 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.418 HD22 ' HG ' ' A' ' 100' ' ' LEU . 1.7 mm? -87.56 116.51 25.73 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 109.303 -0.628 . . . . 1.12 109.303 175.12 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 40.2 ttpt -80.74 -43.94 19.43 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 108.444 -0.947 . . . . 3.03 108.444 -177.353 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -157.3 165.13 19.43 Favored Pre-proline 0 C--N 1.32 -0.686 0 N-CA-C 107.347 -1.353 . . . . 1.79 107.347 175.047 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -60.68 4.65 0.19 Allowed 'Trans proline' 0 CA--C 1.535 0.538 0 C-N-CA 123.184 2.589 . . . . 0.98 114.615 -175.591 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' ASN . . . . . 0.551 ' OD1' ' HB3' ' A' ' 120' ' ' ARG . 65.8 t30 -132.04 11.97 4.69 Favored 'General case' 0 C--N 1.329 -0.307 0 O-C-N 122.128 -0.358 . . . . 2.32 111.18 177.262 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 42.3 m -152.91 116.15 4.65 Favored 'General case' 0 CA--C 1.533 0.323 0 N-CA-C 112.911 0.708 . . . . 0.56 112.911 179.174 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.422 HD23 ' H ' ' A' ' 101' ' ' THR . 0.6 OUTLIER -90.2 154.02 20.06 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 114.978 -1.01 . . . . 1.1 108.322 172.096 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.44 HG22 ' HG2' ' A' ' 117' ' ' GLU . 18.2 p -129.77 135.54 48.57 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 118.619 0.645 . . . . 0.41 111.296 175.565 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 65.0 tt0 -117.2 106.45 13.32 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.793 -0.64 . . . . 1.31 109.363 175.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 50.7 m -105.66 121.18 43.47 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.127 0.489 . . . . 0.51 111.164 -175.5 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' HIS . . . . . 0.509 ' HB3' ' CE1' ' A' ' 88' ' ' HIS . 9.8 m170 -104.03 117.2 33.72 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.906 -0.588 . . . . 1.69 109.908 179.41 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.548 ' O ' ' HB2' ' A' ' 88' ' ' HIS . 46.1 mt -118.9 119.1 59.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 121.111 0.481 . . . . 0.75 110.58 175.374 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.609 ' HA ' ' CB ' ' A' ' 88' ' ' HIS . 46.0 mtpt -64.61 124.55 22.17 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.473 -0.785 . . . . 1.61 111.968 -177.55 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.812 HG23 ' HA ' ' A' ' 88' ' ' HIS . 86.4 t -58.69 -35.49 55.69 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.63 0 CA-C-N 114.432 -1.258 . . . . 1.32 110.949 176.692 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 108' ' ' ASP . . . . . 0.532 ' OD2' ' HE2' ' A' ' 106' ' ' LYS . 18.3 p-10 -82.0 -42.75 18.92 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.346 -0.843 . . . . 2.5 110.613 -179.053 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.578 ' O ' ' HB2' ' A' ' 106' ' ' LYS . 18.5 m-20 -135.29 89.7 22.58 Favored Pre-proline 0 CA--C 1.516 -0.337 0 CA-C-O 121.107 0.48 . . . . 2.39 110.897 176.546 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -70.67 1.07 5.41 Favored 'Trans proline' 0 C--N 1.332 -0.29 0 C-N-CA 123.292 2.661 . . . . 0.9 113.282 -176.519 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 37.4 p -81.32 -17.9 47.61 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.451 0.644 . . . . 1.47 109.606 176.477 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -88.72 49.95 1.88 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.267 -0.879 . . . . 1.59 110.072 179.353 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 2.3 p -71.83 114.5 10.51 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.032 0 CA-C-O 121.506 0.669 . . . . 1.6 111.513 -179.676 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -113.72 137.38 51.7 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.037 -0.983 . . . . 2.78 109.896 -176.872 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 27.5 m -135.4 129.76 33.82 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.256 0.55 . . . . 0.53 112.127 -177.866 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' TYR . . . . . 0.481 ' CE2' ' HE1' ' A' ' 104' ' ' HIS . 4.7 m-30 -107.72 152.66 24.04 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 106.611 -1.625 . . . . 0.96 106.611 169.721 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 117' ' ' GLU . . . . . 0.466 ' O ' ' HA ' ' A' ' 127' ' ' MET . 35.4 mt-10 -130.18 131.7 45.72 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 119.278 0.945 . . . . 1.27 108.484 -178.282 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 118' ' ' TYR . . . . . 0.433 ' HD1' HD11 ' A' ' 125' ' ' LEU . 99.1 m-85 -104.87 95.49 5.91 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 120.83 0.348 . . . . 0.6 110.837 -177.404 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.49 151.71 23.93 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 109.842 -0.429 . . . . 3.41 109.842 179.649 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 120' ' ' ARG . . . . . 0.551 ' HB3' ' OD1' ' A' ' 98' ' ' ASN . 21.3 tpt180 -99.14 133.01 44.04 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 120.826 0.346 . . . . 1.96 110.708 -176.857 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -121.33 76.75 1.26 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.021 -0.536 . . . . 1.08 109.661 177.541 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 64.93 -95.32 0.19 Allowed Glycine 0 N--CA 1.447 -0.6 0 CA-C-N 115.541 -0.754 . . . . 0.92 112.562 -179.44 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -102.17 -10.31 19.73 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.174 0.512 . . . . 2.31 110.664 -178.703 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 124' ' ' TYR . . . . . 0.472 ' CD2' ' HB3' ' A' ' 141' ' ' LYS . 95.1 m-85 -104.69 146.95 28.23 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.157 0.503 . . . . 0.67 111.597 -177.259 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.433 HD11 ' HD1' ' A' ' 118' ' ' TYR . 2.7 tm? -99.36 122.01 41.9 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 107.363 -1.347 . . . . 1.03 107.363 172.054 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 59.9 t -117.38 127.55 74.84 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-O 121.224 0.535 . . . . 0.47 110.63 -171.27 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 127' ' ' MET . . . . . 0.466 ' HA ' ' O ' ' A' ' 117' ' ' GLU . 29.2 ttm -97.31 140.36 31.9 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 115.462 -0.79 . . . . 1.08 110.341 178.409 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -126.88 113.84 17.09 Favored 'General case' 0 C--N 1.316 -0.856 0 N-CA-C 109.485 -0.561 . . . . 2.2 109.485 176.47 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 129' ' ' MET . . . . . 0.502 ' O ' ' HA ' ' A' ' 135' ' ' SER . 24.5 mtp -113.62 143.04 45.24 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 108.641 -0.874 . . . . 1.11 108.641 179.854 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 130' ' ' SER . . . . . 0.463 ' HA ' ' O ' ' A' ' 134' ' ' VAL . 11.7 p -141.17 130.31 23.41 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.453 -0.499 . . . . 1.06 112.187 -177.846 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 131' ' ' TRP . . . . . 0.531 ' CD1' ' HD3' ' A' ' 132' ' ' LYS . 43.4 t-105 -144.38 124.45 13.62 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.259 -0.882 . . . . 0.76 109.768 175.791 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 132' ' ' LYS . . . . . 0.531 ' HD3' ' CD1' ' A' ' 131' ' ' TRP . 14.3 mptt 51.78 44.28 29.42 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-O 121.1 0.476 . . . . 1.96 111.484 -176.472 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 85.18 -27.14 5.17 Favored Glycine 0 N--CA 1.45 -0.413 0 CA-C-N 115.844 -0.616 . . . . 0.53 112.661 178.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 134' ' ' VAL . . . . . 0.463 ' O ' ' HA ' ' A' ' 130' ' ' SER . 16.0 t -70.18 105.12 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 120.836 0.35 . . . . 0.43 110.206 -177.321 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 135' ' ' SER . . . . . 0.502 ' HA ' ' O ' ' A' ' 129' ' ' MET . 4.6 m -102.77 142.16 34.37 Favored 'General case' 0 N--CA 1.43 -1.449 0 CA-C-O 121.241 0.543 . . . . 1.14 110.228 177.522 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 136' ' ' THR . . . . . 0.498 ' CG2' ' HB2' ' A' ' 129' ' ' MET . 2.6 t -129.05 125.28 36.92 Favored 'General case' 0 C--N 1.306 -1.315 0 CA-C-N 115.273 -0.876 . . . . 0.4 110.126 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 6.5 m -102.98 108.01 19.02 Favored 'General case' 0 N--CA 1.448 -0.571 0 N-CA-C 109.105 -0.702 . . . . 0.79 109.105 178.294 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 138' ' ' ARG . . . . . 0.604 ' HD2' ' CD1' ' A' ' 19' ' ' PHE . 47.5 mtp180 -107.35 125.45 51.21 Favored 'General case' 0 C--N 1.314 -0.977 0 CA-C-O 121.238 0.542 . . . . 1.84 109.955 -176.674 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 58.5 m-85 -97.95 117.85 33.22 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.222 -0.899 . . . . 0.64 111.213 -167.743 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 95.4 m-85 -108.54 136.26 48.44 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.875 -0.602 . . . . 0.6 110.354 177.803 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 141' ' ' LYS . . . . . 0.472 ' HB3' ' CD2' ' A' ' 124' ' ' TYR . 0.0 OUTLIER -123.33 159.53 28.65 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 107.376 -1.342 . . . . 1.92 107.376 173.712 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 142' ' ' LYS . . . . . 0.53 ' O ' ' HG3' ' A' ' 12' ' ' LYS . 12.3 mmmm -50.05 171.89 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.751 0 N-CA-C 114.758 1.392 . . . . 2.13 114.758 -175.061 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 9.5 mm100 . . . . . 0 C--O 1.25 1.088 0 CA-C-N 114.707 -1.133 . . . . 1.46 110.767 160.981 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A 1001 ' ' OLA . . . . . 0.741 H141 ' C10' ' A' 1001 ' ' OLA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.444 -0.725 0 N-CA-C 110.209 -0.293 . . . . 0.99 110.209 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.616 ' HB2' ' CE1' ' A' ' 56' ' ' TYR . 5.0 mt -51.49 127.91 32.42 Favored Pre-proline 0 N--CA 1.465 0.282 0 CA-C-N 115.74 -0.663 . . . . 0.59 111.747 -179.062 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . 0.579 ' HD2' HD23 ' A' ' 3' ' ' LEU . 23.7 Cg_endo -66.32 134.51 36.46 Favored 'Trans proline' 0 N--CA 1.454 -0.819 0 C-N-CA 121.877 1.718 . . . . 0.61 110.216 173.04 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . 0.532 ' HA ' HD12 ' A' ' 8' ' ' LEU . 8.1 p-10 -55.71 -17.58 6.23 Favored 'General case' 0 N--CA 1.466 0.332 0 N-CA-C 112.728 0.64 . . . . 2.19 112.728 -173.025 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.521 ' HB3' ' HG3' ' A' ' 120' ' ' ARG . 60.1 mttp -55.49 -31.52 62.08 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 112.159 0.429 . . . . 2.53 112.159 175.65 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.492 ' CE1' ' HG2' ' A' ' 120' ' ' ARG . 47.4 m-85 -96.27 1.75 52.32 Favored 'General case' 0 C--O 1.226 -0.178 0 O-C-N 122.038 -0.414 . . . . 0.6 111.356 -176.584 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.532 HD12 ' HA ' ' A' ' 5' ' ' ASP . 88.5 mt -101.1 150.26 23.11 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.276 0.56 . . . . 0.46 111.568 -172.24 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 115.05 -173.83 14.98 Favored Glycine 0 N--CA 1.444 -0.818 0 CA-C-N 115.334 -0.848 . . . . 0.52 111.662 -177.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.491 HG23 ' HG2' ' A' ' 44' ' ' LYS . 30.8 m -105.8 122.48 46.17 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-O 120.793 0.33 . . . . 1.05 110.533 178.649 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.466 ' HA ' ' HA ' ' A' ' 142' ' ' LYS . 33.9 m-85 -113.45 129.78 56.47 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.125 -0.488 . . . . 0.47 110.538 -178.653 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.504 ' HD3' ' O ' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -100.85 134.97 43.03 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 119.578 -0.849 . . . . 2.19 110.804 172.375 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 61.4 tp -55.65 125.69 22.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.519 -0.764 . . . . 1.14 111.831 178.562 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -92.91 -55.59 3.3 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.013 -0.736 . . . . 2.08 109.013 174.741 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 18.4 ptt180 -158.09 -178.47 7.32 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.135 -0.484 . . . . 3.36 110.754 -176.467 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -156.43 167.76 29.43 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.015 -0.539 . . . . 1.19 109.795 176.61 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 17.9 tp10 -144.76 130.63 19.22 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.709 -0.223 . . . . 2.66 111.216 -174.367 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 40.1 t30 69.13 26.94 5.4 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-O 121.65 0.738 . . . . 0.76 110.779 176.512 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.509 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 8.9 t80 -72.56 -40.51 66.62 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.256 -0.884 . . . . 0.49 111.181 -173.614 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.452 ' OD2' ' HD2' ' A' ' 33' ' ' ARG . 34.0 t70 -58.55 -50.86 72.24 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 120.675 0.274 . . . . 2.04 111.104 178.484 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 41.6 mm-40 -55.37 -42.81 74.46 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 116.203 -0.453 . . . . 1.79 111.277 178.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 77.6 t80 -59.12 -39.05 81.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.756 0.312 . . . . 0.57 110.831 176.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.509 ' HG ' ' O ' ' A' ' 19' ' ' PHE . 73.1 mt -68.15 -39.51 82.61 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.444 -0.344 . . . . 0.37 110.697 -178.094 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 54.0 mtpt -62.55 -49.6 74.63 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.045 -0.525 . . . . 1.88 109.724 177.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.96 -40.59 80.94 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.283 -0.872 . . . . 0.44 111.095 177.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.403 HH11 ' HD2' ' A' ' 26' ' ' ARG . 12.1 mmm180 -70.25 -12.15 61.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.96 -0.564 . . . . 1.29 111.807 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 94.47 22.07 25.22 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.478 -0.867 . . . . 0.62 112.954 177.174 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 75.2 m-85 -92.83 125.24 37.34 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.78 -0.452 . . . . 0.64 109.78 177.1 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -78.21 179.68 51.49 Favored Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.941 -0.647 . . . . 1.54 112.418 -179.587 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.433 ' O ' ' HG2' ' A' ' 34' ' ' GLN . 80.8 t90 -49.75 -49.66 47.32 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 123.019 0.527 . . . . 1.18 111.7 -178.33 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 1.3 mm -53.7 -53.15 27.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.708 0.29 . . . . 2.16 111.723 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.554 ' O ' HG13 ' A' ' 36' ' ' ILE . 54.8 mmm -60.69 -41.08 94.41 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.22 -0.445 . . . . 0.97 111.211 178.36 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.452 ' HD2' ' OD2' ' A' ' 20' ' ' ASP . 52.6 mtm180 -63.56 -29.48 70.73 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.498 -0.319 . . . . 1.87 110.752 179.532 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.525 ' O ' HD23 ' A' ' 38' ' ' LEU . 15.7 mm100 -71.35 -25.48 62.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.921 0.391 . . . . 1.97 110.844 176.269 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.478 HG13 ' HG3' ' A' ' 64' ' ' LYS . 56.5 t -84.89 -66.79 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 121.238 0.542 . . . . 0.68 110.642 175.072 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.554 HG13 ' O ' ' A' ' 32' ' ' MET . 28.4 mt -49.96 -43.4 20.15 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.494 0 CA-C-N 114.797 -1.092 . . . . 0.51 113.814 -174.049 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 54.2 mtmt -72.89 -22.57 60.73 Favored 'General case' 0 N--CA 1.47 0.538 0 N-CA-C 112.106 0.41 . . . . 0.97 112.106 -175.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.525 HD23 ' O ' ' A' ' 34' ' ' GLN . 3.8 mm? -100.84 3.76 42.24 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.1 0.476 . . . . 2.08 110.727 -175.549 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -85.55 109.48 18.55 Favored 'General case' 0 N--CA 1.445 -0.689 0 CA-C-N 115.741 -0.663 . . . . 1.03 110.856 -179.589 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.5 ' O ' ' HA ' ' A' ' 62' ' ' THR . . . -70.53 146.54 42.34 Favored Glycine 0 N--CA 1.447 -0.605 0 N-CA-C 110.225 -1.15 . . . . 0.84 110.225 173.882 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 45.6 t -131.65 133.64 61.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 117.403 0.602 . . . . 1.3 112.153 -170.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 8.1 m -120.69 122.7 41.02 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.603 -0.726 . . . . 0.45 110.025 175.415 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.429 ' HB2' ' HB2' ' A' ' 11' ' ' PHE . 44.3 mmtm -93.88 137.73 32.79 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.315 -0.402 . . . . 0.79 110.519 -179.551 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.604 ' O ' ' HA ' ' A' ' 58' ' ' MET . 99.3 mttt -133.82 111.08 10.22 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.883 0.373 . . . . 1.96 110.893 177.344 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.523 ' CE2' ' HG3' ' A' ' 58' ' ' MET . 41.9 m-85 -115.03 134.31 55.29 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.769 -0.651 . . . . 0.54 109.415 175.738 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.429 ' CG ' ' HB2' ' A' ' 57' ' ' ASP . 23.1 ptt180 -154.91 160.66 41.32 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 110.634 -0.136 . . . . 3.17 110.634 -179.153 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 46.6 m-80 -61.96 135.09 57.41 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 108.721 -0.844 . . . . 1.85 108.721 171.647 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 1.071 ' HB3' ' HD2' ' A' ' 55' ' ' ARG . . . -71.32 125.12 26.15 Favored 'General case' 0 CA--C 1.516 -0.341 0 CA-C-O 121.432 0.634 . . . . 0.87 112.039 -172.055 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -68.14 -6.72 24.64 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 114.684 -1.143 . . . . 1.48 112.275 179.425 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 63.6 p -44.17 -26.58 0.32 Allowed 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 115.714 -0.676 . . . . 2.37 111.878 173.177 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 97.3 3.17 58.82 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.916 -0.659 . . . . 1.91 112.138 177.08 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.531 ' HB2' ' HG2' ' A' ' 55' ' ' ARG . 53.4 mtmt -95.08 174.9 3.17 Favored Pre-proline 0 C--N 1.319 -0.744 0 N-CA-C 109.206 -0.665 . . . . 3.17 109.206 178.356 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -99.68 157.68 0.56 Allowed 'Trans proline' 0 N--CA 1.456 -0.713 0 C-N-CA 122.885 2.39 . . . . 1.84 112.501 171.519 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 29.8 m-20 79.28 -38.17 0.19 Allowed 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.938 0.895 . . . . 2.44 112.636 173.361 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 1.071 ' HD2' ' HB3' ' A' ' 48' ' ' ALA . 0.0 OUTLIER -56.81 155.79 7.37 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 113.822 1.045 . . . . 4.1 113.822 175.58 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.616 ' CE1' ' HB2' ' A' ' 3' ' ' LEU . 70.9 m-85 -142.63 154.32 44.26 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.755 -0.657 . . . . 0.97 110.718 175.424 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.571 ' OD1' ' HA ' ' A' ' 48' ' ' ALA . 41.8 m-20 -102.62 146.93 27.45 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.958 -0.756 . . . . 1.1 108.958 173.511 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.604 ' HA ' ' O ' ' A' ' 44' ' ' LYS . 1.9 tmt? -149.67 121.29 8.02 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.835 0.35 . . . . 0.98 110.57 177.194 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -119.55 151.21 39.0 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 121.502 0.668 . . . . 1.11 111.277 175.53 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -118.77 89.86 3.21 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 114.672 -1.149 . . . . 1.17 108.977 -177.64 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 60.5 tp -86.24 124.3 32.46 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 110.077 -0.342 . . . . 1.67 110.077 -178.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.5 ' HA ' ' O ' ' A' ' 40' ' ' GLY . 21.7 p -126.71 -166.29 1.57 Allowed 'General case' 0 N--CA 1.435 -1.19 0 N-CA-C 108.643 -0.873 . . . . 0.45 108.643 179.231 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 82.4 p -88.0 -37.94 15.92 Favored 'General case' 0 C--N 1.312 -1.053 0 CA-C-O 121.034 0.445 . . . . 0.54 111.255 -177.725 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.478 ' HG3' HG13 ' A' ' 35' ' ' VAL . 35.5 mmtp -106.54 -17.53 14.23 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.048 -0.523 . . . . 2.24 111.236 -175.546 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 27.5 mmmt -125.1 -160.74 0.97 Allowed 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.374 -0.375 . . . . 1.82 110.967 -177.498 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 164.63 118.61 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 114.817 -1.083 . . . . 2.12 108.914 -169.035 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 76.4 p -135.64 151.65 50.44 Favored 'General case' 0 C--N 1.314 -0.954 0 CA-C-N 115.478 -0.783 . . . . 0.56 108.894 179.48 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.416 ' O ' ' HE2' ' A' ' 70' ' ' LYS . 21.1 t-160 -146.49 94.09 2.39 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 120.936 0.398 . . . . 1.95 110.899 -172.112 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 21.0 m-70 -76.59 87.5 3.28 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.982 -0.553 . . . . 0.39 110.072 179.239 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.416 ' HE2' ' O ' ' A' ' 68' ' ' HIS . 13.2 mtmt -69.97 114.23 7.94 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.365 -0.379 . . . . 2.3 111.957 176.62 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 32.5 t70 61.12 83.78 0.14 Allowed 'General case' 0 C--N 1.329 -0.316 0 O-C-N 123.903 0.752 . . . . 2.07 112.204 169.671 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' TRP . . . . . 0.475 ' HE1' ' CB ' ' A' ' 58' ' ' MET . 69.2 p-90 -128.69 159.85 34.34 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.396 -0.365 . . . . 0.43 110.567 176.055 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.586 ' O ' ' HB3' ' A' ' 76' ' ' GLU . . . -125.09 150.86 46.4 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.107 -0.497 . . . . 0.55 109.743 172.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.638 HD13 ' H ' ' A' ' 74' ' ' LEU . 0.0 OUTLIER -65.72 145.74 55.64 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 120.0 -0.68 . . . . 1.71 110.023 172.446 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 79.32 -1.61 75.35 Favored Glycine 0 N--CA 1.445 -0.702 0 CA-C-N 115.407 -0.815 . . . . 0.59 112.024 -171.473 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.586 ' HB3' ' O ' ' A' ' 73' ' ' ALA . 38.7 tt0 -101.1 148.16 25.39 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 121.272 0.558 . . . . 2.37 111.31 -176.251 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -122.71 119.73 31.55 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 114.947 -1.024 . . . . 1.4 109.316 -179.158 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 42.3 p90 -137.9 162.83 33.0 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.552 -0.294 . . . . 0.57 110.582 -175.359 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -94.76 141.31 28.77 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.492 -0.322 . . . . 1.95 110.149 176.039 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 46.0 t0 -172.72 172.82 4.06 Favored 'General case' 0 N--CA 1.466 0.334 0 N-CA-C 109.578 -0.527 . . . . 1.26 109.578 -177.082 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.511 ' HA ' ' O ' ' A' ' 86' ' ' THR . 38.0 tt0 -97.73 122.09 40.42 Favored 'General case' 0 CA--C 1.508 -0.64 0 CA-C-O 121.24 0.543 . . . . 2.13 109.883 179.662 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.503 ' HB3' ' HE2' ' A' ' 88' ' ' HIS . . . -92.88 -178.66 4.89 Favored 'General case' 0 C--N 1.311 -1.08 0 CA-C-N 114.946 -1.024 . . . . 0.95 111.793 178.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.426 HD22 ' H ' ' A' ' 83' ' ' LEU . 3.3 mm? -57.35 -25.2 59.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.067 0.461 . . . . 1.34 110.635 -179.723 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.422 ' OD1' ' HB3' ' A' ' 82' ' ' ALA . 3.8 p30 -79.63 8.05 7.25 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.665 -0.698 . . . . 1.55 111.496 -178.548 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 50.2 m 75.71 -9.34 1.44 Allowed 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 114.928 1.455 . . . . 1.21 114.928 168.585 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.54 ' OG1' ' HD2' ' A' ' 88' ' ' HIS . 67.9 p -95.45 163.95 13.02 Favored 'General case' 0 C--O 1.241 0.634 0 CA-C-N 119.568 1.077 . . . . 0.93 111.332 177.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -103.9 93.52 4.92 Favored 'General case' 0 CA--C 1.511 -0.534 0 N-CA-C 107.502 -1.295 . . . . 1.88 107.502 -175.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . 0.592 ' CE1' ' HB3' ' A' ' 104' ' ' HIS . 11.2 p80 -130.77 178.78 6.39 Favored 'General case' 0 C--N 1.315 -0.93 0 C-N-CA 120.243 -0.583 . . . . 1.04 111.887 -167.197 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 26.7 ttpp -73.24 132.95 43.77 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 114.993 -1.003 . . . . 1.49 109.712 -178.562 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 62.1 mt -135.89 144.3 33.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.909 0 CA-C-N 116.164 -0.471 . . . . 0.54 109.996 -176.542 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 22.5 m -137.54 134.04 35.2 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.267 0.556 . . . . 0.43 111.505 -178.737 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.531 ' HA ' ' O ' ' A' ' 101' ' ' THR . 27.1 m-85 -110.73 150.21 29.39 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.272 -0.876 . . . . 0.6 108.672 175.389 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -159.34 133.36 7.53 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 120.967 0.413 . . . . 1.69 111.753 179.015 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -83.92 101.1 11.45 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 108.405 -0.961 . . . . 1.12 108.405 172.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.628 ' HE3' HG21 ' A' ' 99' ' ' THR . 16.4 pttp -86.91 -40.63 14.66 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.324 -0.621 . . . . 3.03 109.324 -171.853 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.512 ' OD1' ' HG3' ' A' ' 95' ' ' LYS . 9.9 m-20 -131.27 159.74 70.27 Favored Pre-proline 0 C--N 1.324 -0.502 0 N-CA-C 107.34 -1.355 . . . . 1.79 107.34 172.555 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 11.0 Cg_exo -71.57 14.41 0.4 Allowed 'Trans proline' 0 C--O 1.233 0.258 0 C-N-CA 122.972 2.448 . . . . 0.98 112.693 -173.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 9.3 p30 -145.05 16.12 1.54 Allowed 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.853 -0.612 . . . . 2.32 110.373 176.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.628 HG21 ' HE3' ' A' ' 95' ' ' LYS . 32.5 m -152.06 115.08 4.67 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-O 121.38 0.61 . . . . 0.56 112.328 -179.653 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.552 ' HB3' ' HB2' ' A' ' 118' ' ' TYR . 20.3 tp -98.25 149.0 23.04 Favored 'General case' 0 C--O 1.22 -0.45 0 CA-C-N 114.925 -1.034 . . . . 1.1 109.47 175.044 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.531 ' O ' ' HA ' ' A' ' 92' ' ' PHE . 19.5 p -117.17 137.19 52.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 121.627 -0.67 . . . . 0.41 112.268 -179.4 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.519 ' O ' ' HA ' ' A' ' 115' ' ' THR . 2.5 tp10 -116.28 113.5 23.08 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.42 -0.809 . . . . 1.31 109.353 173.781 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 57.2 m -118.87 120.26 36.8 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.12 0.486 . . . . 0.51 111.037 -177.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' HIS . . . . . 0.592 ' HB3' ' CE1' ' A' ' 88' ' ' HIS . 24.9 m170 -99.11 120.09 38.91 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.929 -0.578 . . . . 1.69 110.42 -179.68 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.553 ' O ' ' HB2' ' A' ' 88' ' ' HIS . 11.1 mt -117.11 111.58 35.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 121.263 0.554 . . . . 0.75 110.695 175.031 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.529 ' HA ' ' CB ' ' A' ' 88' ' ' HIS . 96.7 mttt -69.21 137.83 53.53 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-N 115.2 -0.909 . . . . 1.61 112.389 -176.858 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.528 ' CG2' ' HA ' ' A' ' 88' ' ' HIS . 2.3 t -62.46 -37.3 78.43 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.502 0 CA-C-N 114.371 -1.286 . . . . 1.32 110.396 177.259 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 42.0 m-20 -78.14 -50.15 12.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.482 -0.781 . . . . 2.5 110.371 -176.003 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . 0.421 ' O ' ' HB2' ' A' ' 106' ' ' LYS . 14.1 t70 -134.02 95.38 17.08 Favored Pre-proline 0 C--N 1.326 -0.426 0 CA-C-O 121.308 0.575 . . . . 2.39 110.008 179.486 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 68.6 Cg_endo -73.72 1.84 6.53 Favored 'Trans proline' 0 C--N 1.33 -0.399 0 C-N-CA 123.379 2.719 . . . . 0.9 113.478 -177.741 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 33.9 p -97.07 -18.79 19.14 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 120.711 -0.396 . . . . 1.47 110.994 179.419 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -90.94 49.99 1.73 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.733 0.778 . . . . 1.59 109.679 176.093 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.467 HG12 HG12 ' A' ' 105' ' ' ILE . 13.5 m -67.74 171.94 0.81 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.532 0 CA-C-N 114.926 -1.034 . . . . 1.6 111.968 178.639 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -155.75 133.09 10.89 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-N 115.258 -0.883 . . . . 2.78 109.663 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . 0.519 ' HA ' ' O ' ' A' ' 102' ' ' GLU . 85.2 m -130.77 128.49 40.87 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.347 0.594 . . . . 0.53 112.211 -174.153 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -107.03 157.41 17.84 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.383 -1.34 . . . . 0.96 107.383 172.346 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . 0.489 ' HG2' HG22 ' A' ' 101' ' ' THR . 46.5 mt-10 -131.61 122.85 26.72 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.041 -0.726 . . . . 1.27 109.041 177.814 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . 0.552 ' HB2' ' HB3' ' A' ' 100' ' ' LEU . 90.9 m-85 -92.19 94.92 9.44 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.277 -0.419 . . . . 0.6 110.079 -177.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 50.3 ttt180 -101.86 153.03 20.21 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.994 -0.548 . . . . 3.41 109.923 177.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . 0.521 ' HG3' ' HB3' ' A' ' 6' ' ' LYS . 6.1 mmm180 -106.07 135.74 46.99 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.729 -0.471 . . . . 1.96 109.729 172.728 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -148.65 110.96 4.67 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.662 -0.496 . . . . 1.08 109.662 175.505 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 71.3 -133.22 21.74 Favored Glycine 0 N--CA 1.445 -0.706 0 N-CA-C 110.85 -0.9 . . . . 0.92 110.85 -174.569 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -103.78 28.78 6.31 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.266 0.555 . . . . 2.31 109.84 175.637 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 86.9 m-85 -126.33 143.56 51.12 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 115.662 -0.699 . . . . 0.67 110.62 -178.433 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 40.4 tp -84.75 121.58 27.88 Favored 'General case' 0 N--CA 1.443 -0.796 0 N-CA-C 107.802 -1.185 . . . . 1.03 107.802 168.043 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 58.8 t -114.81 114.78 47.53 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.143 0 CA-C-O 121.244 0.545 . . . . 0.47 109.547 -174.686 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' MET . . . . . 0.493 ' O ' ' HA ' ' A' ' 137' ' ' SER . 31.1 ttm -91.56 136.28 33.25 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-N 115.512 -0.767 . . . . 1.08 110.369 -178.564 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 15.9 tppt? -117.56 121.42 40.91 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 108.834 -0.802 . . . . 2.2 108.834 176.256 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' MET . . . . . 0.54 ' HB2' ' CG2' ' A' ' 136' ' ' THR . 23.5 mtp -122.68 122.82 39.69 Favored 'General case' 0 C--N 1.316 -0.88 0 N-CA-C 108.155 -1.054 . . . . 1.11 108.155 178.434 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . 0.581 ' HA ' ' O ' ' A' ' 134' ' ' VAL . 13.5 p -129.24 129.67 45.27 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.408 0.623 . . . . 1.06 112.01 -175.839 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 131' ' ' TRP . . . . . 0.513 ' CD1' ' HG2' ' A' ' 132' ' ' LYS . 34.7 t-105 -148.76 131.48 15.97 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 114.976 -1.011 . . . . 0.76 109.368 177.661 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . 0.513 ' HG2' ' CD1' ' A' ' 131' ' ' TRP . 75.5 mmtt 56.43 32.59 20.94 Favored 'General case' 0 C--N 1.327 -0.374 0 O-C-N 123.444 0.465 . . . . 1.96 111.146 -177.328 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 85.61 -13.2 56.88 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 121.095 -0.574 . . . . 0.53 112.758 -179.027 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . 0.581 ' O ' ' HA ' ' A' ' 130' ' ' SER . 13.1 t -80.41 109.23 14.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.541 0.17 . . . . 0.43 110.659 -177.742 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -98.13 133.29 42.78 Favored 'General case' 0 N--CA 1.444 -0.759 0 CA-C-O 121.088 0.47 . . . . 1.14 110.696 174.028 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 136' ' ' THR . . . . . 0.54 ' CG2' ' HB2' ' A' ' 129' ' ' MET . 5.2 t -121.45 134.99 55.09 Favored 'General case' 0 C--N 1.312 -1.047 0 CA-C-N 115.478 -0.783 . . . . 0.4 109.31 173.783 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 137' ' ' SER . . . . . 0.493 ' HA ' ' O ' ' A' ' 127' ' ' MET . 4.0 m -113.18 113.34 25.21 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.133 -0.485 . . . . 0.79 110.179 -177.845 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 38.1 mtp180 -98.97 122.76 42.66 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.464 -0.569 . . . . 1.84 109.464 178.038 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 92.6 m-85 -97.39 111.83 23.92 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.983 -0.553 . . . . 0.64 110.763 -174.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 81.7 m-85 -107.61 132.48 53.25 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.582 -0.735 . . . . 0.6 110.351 179.645 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 15.2 ptpt -104.87 168.82 8.81 Favored 'General case' 0 C--N 1.313 -0.983 0 N-CA-C 107.472 -1.307 . . . . 1.92 107.472 172.66 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 142' ' ' LYS . . . . . 0.47 ' O ' ' HG3' ' A' ' 12' ' ' LYS . 14.6 mmmm -59.62 178.78 0.14 Allowed 'General case' 0 C--N 1.317 -0.847 0 CA-C-O 121.884 0.85 . . . . 2.13 111.674 171.823 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . 0.567 ' HA ' HE21 ' A' ' 143' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.031 0 CA-C-N 115.377 -0.828 . . . . 1.46 109.551 159.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.445 -0.716 0 N-CA-C 110.019 -0.363 . . . . 0.99 110.019 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.552 ' HB2' ' CZ ' ' A' ' 56' ' ' TYR . 6.2 mt -59.21 126.06 80.61 Favored Pre-proline 0 C--N 1.327 -0.39 0 CA-C-N 115.898 -0.592 . . . . 0.59 111.872 -177.311 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -58.66 126.94 22.74 Favored 'Trans proline' 0 N--CA 1.456 -0.678 0 C-N-CA 122.468 2.112 . . . . 0.61 110.678 171.004 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . 0.499 ' HA ' HD12 ' A' ' 8' ' ' LEU . 10.8 t70 -48.02 -29.41 3.47 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 115.454 -0.793 . . . . 2.19 111.991 178.57 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.512 ' O ' ' HD3' ' A' ' 120' ' ' ARG . 60.1 mttp -64.65 -17.91 64.47 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 113.018 0.747 . . . . 2.53 113.018 179.004 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -98.51 -0.8 42.63 Favored 'General case' 0 C--N 1.327 -0.397 0 O-C-N 121.51 -0.744 . . . . 0.6 110.22 177.701 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.52 HD23 ' HB3' ' A' ' 45' ' ' PHE . 88.1 mt -102.03 142.92 32.56 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.13 0.491 . . . . 0.46 111.603 -172.662 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 133.96 176.54 14.43 Favored Glycine 0 N--CA 1.446 -0.64 0 CA-C-N 115.428 -0.806 . . . . 0.52 112.051 -178.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.549 HG23 ' HG2' ' A' ' 44' ' ' LYS . 31.0 m -108.03 125.26 51.34 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.685 -0.487 . . . . 1.05 109.685 176.27 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 69.1 m-85 -116.22 132.71 56.59 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 112.797 0.665 . . . . 0.47 112.797 -171.337 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.514 ' HG3' ' HA ' ' A' ' 143' ' ' GLN . 48.2 mttp -70.54 -171.1 0.46 Allowed 'General case' 0 C--N 1.345 0.407 0 CA-C-O 121.222 0.534 . . . . 2.19 111.001 163.362 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.473 HD12 ' HB ' ' A' ' 41' ' ' VAL . 2.4 tt -137.83 111.81 8.4 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.574 -0.528 . . . . 1.14 109.574 -177.543 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -82.01 -51.99 7.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.521 0.201 . . . . 2.08 111.266 -179.418 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.426 HH11 ' HD2' ' A' ' 15' ' ' ARG . 17.6 ptt180 -161.16 179.6 8.25 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.915 0.388 . . . . 3.36 111.341 -174.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.433 ' HA ' ' HA ' ' A' ' 138' ' ' ARG . 3.5 p30 -146.53 164.33 32.92 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.791 -0.64 . . . . 1.19 109.964 178.685 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -142.53 130.11 21.37 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.68 -0.236 . . . . 2.66 110.943 -177.635 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.3 t30 62.63 21.84 12.95 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 115.762 -0.654 . . . . 0.76 111.446 173.482 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 32.6 t80 -76.99 -40.63 46.06 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.669 -0.696 . . . . 0.49 110.575 -174.68 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -59.48 -44.59 93.0 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.123 -0.49 . . . . 2.04 110.171 176.765 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.539 ' HA ' ' HE2' ' A' ' 24' ' ' LYS . 51.0 mm-40 -53.22 -43.87 67.6 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 115.776 -0.647 . . . . 1.79 110.638 175.056 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 89.8 t80 -60.66 -36.88 79.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.917 -0.583 . . . . 0.57 111.312 178.677 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 61.7 mt -65.47 -39.0 91.45 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.811 0.339 . . . . 0.37 110.761 -177.266 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.539 ' HE2' ' HA ' ' A' ' 21' ' ' GLU . 53.8 mtmt -65.46 -43.05 91.54 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.196 0.522 . . . . 1.88 109.954 177.114 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.42 ' HB2' HG21 ' A' ' 134' ' ' VAL . . . -58.22 -42.01 85.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.384 -0.825 . . . . 0.44 111.448 178.014 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 16.1 mmm180 -75.41 -6.75 51.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.12 -0.491 . . . . 1.29 111.719 -179.315 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 87.25 20.95 51.04 Favored Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 120.636 -0.793 . . . . 0.62 112.703 175.479 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 58.7 m-85 -77.37 127.32 32.37 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.876 -0.416 . . . . 0.64 109.876 176.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -73.8 177.06 45.15 Favored Glycine 0 N--CA 1.444 -0.821 0 C-N-CA 120.858 -0.686 . . . . 1.54 111.894 -179.588 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 73.8 t90 -50.65 -43.6 57.27 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.206 0.447 . . . . 1.18 112.206 -175.628 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.713 ' H ' HD12 ' A' ' 31' ' ' ILE . 3.0 mp -57.02 -57.4 10.02 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.798 0 CA-C-O 121.479 0.656 . . . . 2.16 110.049 -175.346 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.407 ' O ' HG13 ' A' ' 36' ' ' ILE . 70.7 mmm -67.3 -27.8 67.47 Favored 'General case' 0 N--CA 1.429 -1.491 0 CA-C-N 114.867 -1.06 . . . . 0.97 110.388 -176.568 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.569 ' O ' ' HD2' ' A' ' 37' ' ' LYS . 33.8 ttp180 -78.4 6.7 7.85 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.303 -0.862 . . . . 1.87 110.46 -179.03 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 25.0 mm-40 -115.57 -21.85 9.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.841 -0.618 . . . . 1.97 110.192 171.69 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 98.2 t -90.24 -60.91 2.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 121.094 0.473 . . . . 0.68 111.382 -178.118 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.419 HG13 ' H ' ' A' ' 36' ' ' ILE . 44.0 mt -47.83 -40.62 8.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 C-N-CA 124.018 0.927 . . . . 0.51 113.387 -178.347 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.569 ' HD2' ' O ' ' A' ' 33' ' ' ARG . 0.1 OUTLIER -97.83 23.77 7.6 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.885 0.374 . . . . 0.97 111.652 -178.821 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.456 ' C ' HD13 ' A' ' 38' ' ' LEU . 0.6 OUTLIER -122.68 -44.88 2.2 Favored 'General case' 0 N--CA 1.445 -0.702 0 N-CA-C 108.835 -0.802 . . . . 2.08 108.835 177.156 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -52.13 128.68 25.5 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 115.803 -0.635 . . . . 1.03 111.815 177.048 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.543 ' O ' ' HA ' ' A' ' 62' ' ' THR . . . -75.56 149.67 38.83 Favored Glycine 0 N--CA 1.444 -0.779 0 N-CA-C 110.873 -0.891 . . . . 0.84 110.873 173.646 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.473 ' HB ' HD12 ' A' ' 13' ' ' LEU . 12.2 t -125.72 131.74 71.62 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-O 121.013 0.435 . . . . 1.3 111.251 -174.125 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.419 HG23 HE21 ' A' ' 143' ' ' GLN . 49.1 m -111.46 111.33 22.28 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.593 -0.73 . . . . 0.45 110.026 173.145 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 38.0 mmtm -85.5 134.88 34.02 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.592 -0.276 . . . . 0.79 110.258 178.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.549 ' HG2' HG23 ' A' ' 10' ' ' THR . 98.5 mttt -130.4 118.55 21.37 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.627 0.251 . . . . 1.96 110.583 178.225 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.52 ' HB3' HD23 ' A' ' 8' ' ' LEU . 86.9 m-85 -122.94 126.54 47.43 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 109.347 -0.612 . . . . 0.54 109.347 173.623 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.471 ' HG3' ' HB3' ' A' ' 57' ' ' ASP . 2.8 ptm180 -156.13 166.14 34.35 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 120.895 0.379 . . . . 3.17 110.96 -175.208 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.404 ' HA ' ' CD2' ' A' ' 56' ' ' TYR . 19.0 m120 -62.64 154.7 28.34 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 108.987 -0.745 . . . . 1.85 108.987 172.354 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.452 ' HB1' ' OD1' ' A' ' 71' ' ' ASP . . . -58.01 141.36 50.02 Favored 'General case' 0 CA--C 1.518 -0.28 0 CA-C-O 121.372 0.606 . . . . 0.87 110.905 -177.041 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.4 -35.62 81.5 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 114.92 -1.036 . . . . 1.48 111.7 -171.524 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 42.1 p -75.56 9.23 2.33 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.138 0.421 . . . . 2.37 112.138 176.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 63.33 29.87 75.82 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 121.004 -0.617 . . . . 1.91 112.531 -179.063 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 6.1 tmtt? -84.96 114.39 55.48 Favored Pre-proline 0 C--N 1.322 -0.594 0 N-CA-C 110.026 -0.361 . . . . 3.17 110.026 -177.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.457 ' O ' ' HB2' ' A' ' 54' ' ' ASP . 88.3 Cg_exo -51.69 140.8 45.64 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 123.122 2.548 . . . . 1.84 113.228 179.284 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.457 ' HB2' ' O ' ' A' ' 53' ' ' PRO . 29.9 m-20 82.3 -48.92 0.2 Allowed 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 114.769 -1.105 . . . . 2.44 110.436 177.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 55.3 mtp180 -66.71 145.44 55.54 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.313 0.578 . . . . 4.1 111.653 175.318 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.552 ' CZ ' ' HB2' ' A' ' 3' ' ' LEU . 76.5 m-85 -124.74 -178.86 4.29 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.6 -0.727 . . . . 0.97 110.252 178.574 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.648 ' OD2' ' HA ' ' A' ' 70' ' ' LYS . 14.1 t70 -136.87 136.87 39.08 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 108.511 -0.922 . . . . 1.1 108.511 177.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.423 ' N ' ' HE1' ' A' ' 72' ' ' TRP . 1.5 tmt? -140.12 140.4 36.01 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 110.024 -0.361 . . . . 0.98 110.024 -174.808 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.504 ' HG3' ' O ' ' A' ' 67' ' ' THR . 41.2 tt0 -142.08 147.37 36.67 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.092 0.472 . . . . 1.11 111.79 -173.335 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.607 ' HB2' ' OG1' ' A' ' 67' ' ' THR . 48.3 m-80 -127.64 106.8 9.4 Favored 'General case' 0 CA--C 1.516 -0.342 0 CA-C-N 115.659 -0.7 . . . . 1.17 109.328 175.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 65.4 tp -103.76 127.5 51.23 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 109.955 -0.387 . . . . 1.67 109.955 177.193 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.543 ' HA ' ' O ' ' A' ' 40' ' ' GLY . 71.1 p -128.32 -177.85 4.32 Favored 'General case' 0 N--CA 1.443 -0.776 0 N-CA-C 109.626 -0.509 . . . . 0.45 109.626 -178.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.404 HG23 ' H ' ' A' ' 40' ' ' GLY . 30.4 p -80.83 -30.54 35.74 Favored 'General case' 0 C--N 1.313 -1.0 0 CA-C-O 121.394 0.616 . . . . 0.54 110.461 179.204 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 53.3 tptt -101.73 -22.55 14.38 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.462 -0.79 . . . . 2.24 111.38 -174.414 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.464 ' HD2' ' HA ' ' A' ' 65' ' ' LYS . 8.2 mmmt -139.5 -155.64 0.61 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.099 0.476 . . . . 1.82 112.267 -174.845 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 171.96 130.53 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 114.787 -1.097 . . . . 2.12 108.763 -166.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.607 ' OG1' ' HB2' ' A' ' 60' ' ' ASN . 59.5 p -147.4 143.62 28.09 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 109.366 -0.605 . . . . 0.56 109.366 178.158 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 9.4 t-160 -143.67 99.87 3.49 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.288 0.566 . . . . 1.95 110.203 -177.756 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 21.4 m-70 -78.53 83.47 4.72 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 108.696 -0.853 . . . . 0.39 108.696 176.789 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.648 ' HA ' ' OD2' ' A' ' 57' ' ' ASP . 7.7 ptpp? -75.07 117.78 17.29 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.752 -0.658 . . . . 2.3 112.193 -174.763 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.452 ' OD1' ' HB1' ' A' ' 48' ' ' ALA . 9.9 m-20 52.87 81.52 0.08 Allowed 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 115.263 -0.88 . . . . 2.07 111.95 174.337 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' TRP . . . . . 0.423 ' HE1' ' N ' ' A' ' 58' ' ' MET . 66.0 p-90 -118.31 146.06 44.62 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.944 -0.571 . . . . 0.43 110.117 177.434 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -96.16 143.71 27.04 Favored 'General case' 0 C--N 1.321 -0.66 0 O-C-N 122.286 -0.259 . . . . 0.55 110.816 178.675 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.417 HD21 HD23 ' A' ' 94' ' ' LEU . 0.1 OUTLIER -50.31 114.11 1.04 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.379 -0.373 . . . . 1.71 110.81 171.202 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 91.79 21.75 32.9 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 121.207 -0.52 . . . . 0.59 112.434 -178.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -110.32 125.22 52.93 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.298 0.57 . . . . 2.37 111.217 -176.007 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -90.31 115.68 27.7 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.226 -0.897 . . . . 1.4 109.077 171.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 41.6 p90 -129.02 150.05 50.59 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.261 -0.427 . . . . 0.57 110.659 -175.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -85.34 142.85 29.03 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.577 -0.527 . . . . 1.95 109.577 176.274 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 38.6 t0 -164.97 171.22 14.27 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 109.311 -0.626 . . . . 1.26 109.311 -174.575 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.511 ' HA ' ' O ' ' A' ' 86' ' ' THR . 35.3 tt0 -99.09 111.67 24.01 Favored 'General case' 0 CA--C 1.504 -0.802 0 N-CA-C 108.495 -0.928 . . . . 2.13 108.495 175.024 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.59 ' HB2' HD11 ' A' ' 90' ' ' ILE . . . -90.62 -178.68 5.36 Favored 'General case' 0 C--N 1.308 -1.204 0 CA-C-N 115.249 -0.887 . . . . 0.95 111.839 -176.476 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.543 HD22 ' H ' ' A' ' 83' ' ' LEU . 2.9 mm? -56.16 -30.28 61.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.982 0.42 . . . . 1.34 110.478 -177.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.498 ' OD1' ' HB3' ' A' ' 82' ' ' ALA . 17.7 p-10 -77.71 11.38 2.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.889 -0.596 . . . . 1.55 111.134 -178.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 15.7 m 65.54 15.35 9.99 Favored 'General case' 0 N--CA 1.465 0.302 0 N-CA-C 113.8 1.037 . . . . 1.21 113.8 166.57 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.511 ' O ' ' HA ' ' A' ' 81' ' ' GLU . 12.4 p -113.48 166.31 11.62 Favored 'General case' 0 C--N 1.319 -0.756 0 C-N-CA 120.737 -0.385 . . . . 0.93 110.475 175.853 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 5.8 mm-40 -102.34 99.11 9.15 Favored 'General case' 0 CA--C 1.511 -0.553 0 N-CA-C 107.789 -1.189 . . . . 1.88 107.789 -178.367 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . 0.498 ' CB ' ' HA ' ' A' ' 106' ' ' LYS . 23.9 p80 -138.46 172.18 13.27 Favored 'General case' 0 C--N 1.314 -0.957 0 C-N-CA 120.43 -0.508 . . . . 1.04 110.876 -173.108 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 43.6 mtmt -73.76 149.37 41.8 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.935 -0.575 . . . . 1.49 110.324 -178.521 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.59 HD11 ' HB2' ' A' ' 82' ' ' ALA . 72.0 mt -147.0 128.67 6.52 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.876 0 CA-C-N 115.473 -0.785 . . . . 0.54 109.785 179.578 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 24.7 m -105.93 130.32 53.9 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-O 120.877 0.37 . . . . 0.43 110.832 179.104 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.468 ' CE1' ' HG3' ' A' ' 102' ' ' GLU . 1.8 m-85 -112.86 124.52 52.78 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 108.79 -0.818 . . . . 0.6 108.79 174.08 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -163.33 164.35 24.85 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 120.846 0.355 . . . . 1.69 110.089 -177.05 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.432 HD22 ' HG ' ' A' ' 100' ' ' LEU . 2.7 mm? -100.85 111.1 23.24 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 109.519 -0.548 . . . . 1.12 109.519 179.769 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 46.3 tptt -77.56 -41.06 40.3 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 108.557 -0.905 . . . . 3.03 108.557 -175.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 -134.65 162.51 57.28 Favored Pre-proline 0 C--N 1.322 -0.597 0 CA-C-N 114.483 -1.235 . . . . 1.79 107.793 174.014 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_exo -68.68 5.55 1.27 Allowed 'Trans proline' 0 CA--C 1.529 0.267 0 C-N-CA 123.046 2.497 . . . . 0.98 112.504 -178.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 19.0 m120 -136.34 13.52 3.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.125 -0.488 . . . . 2.32 110.532 175.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 28.2 m -145.18 112.65 6.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.047 0.451 . . . . 0.56 111.82 -176.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.5 HD23 ' N ' ' A' ' 101' ' ' THR . 2.8 tt -91.85 134.75 34.48 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.873 -1.158 . . . . 1.1 107.873 175.496 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.5 ' N ' HD23 ' A' ' 100' ' ' LEU . 5.7 p -117.03 131.99 56.81 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 118.798 0.726 . . . . 0.41 112.03 -179.598 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.468 ' HG3' ' CE1' ' A' ' 92' ' ' PHE . 32.9 tt0 -112.67 105.46 13.63 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.321 -0.854 . . . . 1.31 109.121 174.523 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 27.0 m -101.58 115.69 31.09 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 120.786 0.327 . . . . 0.51 110.785 -177.394 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 30.8 m170 -89.88 114.37 26.13 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.345 -0.389 . . . . 1.69 110.125 177.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.472 ' O ' ' HB2' ' A' ' 88' ' ' HIS . 11.1 mt -108.28 104.22 16.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 121.256 0.55 . . . . 0.75 110.537 175.235 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.498 ' HA ' ' CB ' ' A' ' 88' ' ' HIS . 56.8 mttm -59.17 119.13 6.76 Favored 'General case' 0 C--N 1.313 -1.014 0 CA-C-N 115.178 -0.919 . . . . 1.61 110.682 176.527 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.486 HG13 ' HA ' ' A' ' 88' ' ' HIS . 12.2 m -63.29 -22.92 31.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.274 -0.875 . . . . 1.32 110.878 178.548 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -80.37 -45.32 17.94 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.433 -0.803 . . . . 2.5 110.295 178.305 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -140.33 90.84 10.08 Favored Pre-proline 0 C--N 1.325 -0.499 0 CA-C-O 121.426 0.632 . . . . 2.39 109.765 179.378 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -72.78 -0.45 8.95 Favored 'Trans proline' 0 N--CA 1.464 -0.249 0 C-N-CA 123.359 2.706 . . . . 0.9 113.448 -175.492 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 36.4 p -93.93 -12.64 28.36 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.145 0.498 . . . . 1.47 110.863 178.221 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -100.79 54.71 0.86 Allowed 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.493 0.663 . . . . 1.59 109.914 176.116 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.445 HG12 HG12 ' A' ' 105' ' ' ILE . 8.3 m -71.64 161.03 4.96 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.607 0 CA-C-N 115.346 -0.843 . . . . 1.6 112.274 178.677 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -144.72 131.16 19.77 Favored 'General case' 0 C--N 1.313 -1.013 0 CA-C-N 114.669 -1.15 . . . . 2.78 108.95 178.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . 0.56 ' O ' ' HG3' ' A' ' 129' ' ' MET . 39.7 m -123.72 118.62 27.64 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.328 0.585 . . . . 0.53 111.532 -171.72 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' TYR . . . . . 0.42 ' CD1' ' N ' ' A' ' 116' ' ' TYR . 2.1 m-85 -99.49 148.34 24.35 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 107.169 -1.419 . . . . 0.96 107.169 177.86 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . 0.484 ' HG2' HG22 ' A' ' 101' ' ' THR . 23.7 mt-10 -137.26 125.04 22.46 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 119.053 0.842 . . . . 1.27 108.809 -172.154 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . 0.476 ' HB2' ' HB3' ' A' ' 100' ' ' LEU . 53.0 m-85 -103.64 119.99 40.01 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.045 0.45 . . . . 0.6 111.267 -174.768 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 82.4 mtm180 -123.89 153.83 40.58 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.441 -0.8 . . . . 3.41 109.303 176.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . 0.541 HH21 ' HA ' ' A' ' 123' ' ' ASP . 9.0 tpt180 -111.35 129.93 55.84 Favored 'General case' 0 C--N 1.32 -0.677 0 C-N-CA 120.774 -0.371 . . . . 1.96 110.487 178.633 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -124.76 90.6 3.28 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.504 -0.554 . . . . 1.08 109.504 175.584 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 66.63 -106.41 1.62 Allowed Glycine 0 N--CA 1.445 -0.706 0 CA-C-N 115.559 -0.746 . . . . 0.92 111.769 -177.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . 0.541 ' HA ' HH21 ' A' ' 120' ' ' ARG . 8.4 p-10 -103.0 -1.59 29.02 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 120.677 0.275 . . . . 2.31 111.08 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -102.15 134.81 44.82 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.584 -0.28 . . . . 0.67 111.248 -177.361 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.467 ' HB3' ' HB2' ' A' ' 140' ' ' TYR . 3.4 tm? -85.59 112.05 20.61 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 107.051 -1.463 . . . . 1.03 107.051 168.365 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 58.8 t -98.25 103.31 14.54 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 CA-C-O 121.459 0.647 . . . . 0.47 110.092 -171.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' MET . . . . . 0.593 ' O ' ' HA ' ' A' ' 137' ' ' SER . 9.5 tpt -70.38 129.33 39.0 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-N 114.619 -1.173 . . . . 1.08 109.603 179.44 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 23.9 tptm -126.93 136.19 51.95 Favored 'General case' 0 C--N 1.315 -0.916 0 N-CA-C 109.193 -0.669 . . . . 2.2 109.193 178.462 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' MET . . . . . 0.56 ' HG3' ' O ' ' A' ' 115' ' ' THR . 20.8 ttp -160.74 140.73 11.1 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 109.107 -0.701 . . . . 1.11 109.107 178.309 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 20.9 t -142.95 147.79 35.8 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.442 0.639 . . . . 1.06 111.535 -176.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 131' ' ' TRP . . . . . . . . . . . . . 61.7 t-105 -154.72 133.98 12.5 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 114.843 -1.072 . . . . 0.76 109.488 176.651 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 11.8 ttmm 56.58 37.49 28.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 123.645 0.591 . . . . 1.96 111.536 178.686 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 82.34 -17.91 16.6 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 121.096 -0.574 . . . . 0.53 112.655 -179.299 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . 0.42 HG21 ' HB2' ' A' ' 25' ' ' ALA . 25.5 t -79.5 112.64 17.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 N-CA-C 110.145 -0.317 . . . . 0.43 110.145 -179.008 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -105.51 135.3 47.16 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 121.176 0.512 . . . . 1.14 111.407 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 7.2 t -127.2 152.82 46.86 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 115.782 -0.644 . . . . 0.4 110.476 178.615 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 137' ' ' SER . . . . . 0.593 ' HA ' ' O ' ' A' ' 127' ' ' MET . 52.4 m -142.98 130.4 21.09 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.146 -0.479 . . . . 0.79 110.665 176.485 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 138' ' ' ARG . . . . . 0.433 ' HA ' ' HA ' ' A' ' 16' ' ' ASP . 25.5 mtt180 -99.84 149.41 23.41 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.336 -0.616 . . . . 1.84 109.336 171.317 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 95.7 m-85 -109.09 100.62 9.76 Favored 'General case' 0 C--N 1.313 -0.996 0 N-CA-C 109.448 -0.575 . . . . 0.64 109.448 177.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 140' ' ' TYR . . . . . 0.467 ' HB2' ' HB3' ' A' ' 125' ' ' LEU . 51.6 m-85 -92.04 126.23 37.04 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.257 -0.883 . . . . 0.6 110.52 -175.266 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 141' ' ' LYS . . . . . 0.425 ' O ' ' N ' ' A' ' 12' ' ' LYS . 4.0 tppp? -89.35 155.79 19.12 Favored 'General case' 0 C--O 1.206 -1.201 0 N-CA-C 107.563 -1.273 . . . . 1.92 107.563 177.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -58.4 161.46 4.41 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 118.946 0.794 . . . . 2.13 109.95 166.566 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . 0.514 ' HA ' ' HG3' ' A' ' 12' ' ' LYS . 69.6 mm-40 . . . . . 0 C--O 1.246 0.87 0 O-C-N 121.491 -0.756 . . . . 1.46 112.014 167.747 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 17.1 m . . . . . 0 C--O 1.233 0.187 0 N-CA-C 109.968 -0.382 . . . . 0.99 109.968 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.75 ' HB2' ' CE1' ' A' ' 56' ' ' TYR . 3.2 mt -58.04 121.39 50.43 Favored Pre-proline 0 CA--C 1.516 -0.334 0 CA-C-O 120.696 0.284 . . . . 0.59 111.106 -177.372 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . 0.421 ' HD2' HD23 ' A' ' 3' ' ' LEU . 43.9 Cg_endo -73.79 140.11 28.61 Favored 'Trans proline' 0 N--CA 1.453 -0.873 0 C-N-CA 122.555 2.17 . . . . 0.61 110.811 173.869 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . 0.497 ' HA ' HD12 ' A' ' 8' ' ' LEU . 5.8 p-10 -51.44 -24.39 4.93 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 115.289 -0.869 . . . . 2.19 112.646 -176.262 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.561 ' HD2' ' H ' ' A' ' 6' ' ' LYS . 3.3 mptp? -58.22 -29.86 66.05 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.26 0.467 . . . . 2.53 112.26 -179.643 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 35.1 m-85 -92.25 -1.9 56.81 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.46 -0.496 . . . . 0.6 111.416 -178.454 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.497 HD12 ' HA ' ' A' ' 5' ' ' ASP . 98.8 mt -96.36 150.77 20.21 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.401 0.62 . . . . 0.46 112.029 -170.306 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 125.34 164.83 11.94 Favored Glycine 0 N--CA 1.442 -0.915 0 CA-C-N 114.876 -1.056 . . . . 0.52 111.437 -177.756 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.402 HG23 ' HG2' ' A' ' 44' ' ' LYS . 91.3 m -91.5 123.75 35.15 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 109.385 -0.598 . . . . 1.05 109.385 174.457 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.425 ' HA ' ' HA ' ' A' ' 142' ' ' LYS . 74.0 m-85 -116.51 129.58 56.28 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.404 -0.362 . . . . 0.47 111.234 -175.549 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.568 ' HB3' ' CD ' ' A' ' 143' ' ' GLN . 13.2 ptmm? -91.19 134.4 34.58 Favored 'General case' 0 C--O 1.234 0.289 0 C-N-CA 120.052 -0.659 . . . . 2.19 110.355 172.47 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.403 HD11 ' CZ ' ' A' ' 138' ' ' ARG . 3.6 tt -58.38 124.93 21.21 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 108.981 -0.748 . . . . 1.14 108.981 172.482 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.403 ' HA ' ' OE2' ' A' ' 14' ' ' GLU . 3.5 tp10 -101.68 -45.29 5.3 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.96 0.41 . . . . 2.08 110.511 -178.482 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 8.4 ptp180 -158.65 176.73 12.02 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.118 -0.492 . . . . 3.36 109.947 -178.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.439 ' HA ' ' HA ' ' A' ' 138' ' ' ARG . 6.8 p30 -148.49 165.65 30.53 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.981 0.42 . . . . 1.19 111.401 178.115 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -146.28 124.31 12.09 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.646 -0.706 . . . . 2.66 110.776 -174.737 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 57.6 t30 69.89 23.12 5.64 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-O 121.632 0.729 . . . . 0.76 111.019 174.606 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 26.0 t80 -76.72 -37.19 56.49 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.662 -0.699 . . . . 0.49 110.99 -174.226 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -60.02 -47.12 87.14 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 110.3 -0.259 . . . . 2.04 110.3 177.36 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -55.27 -42.75 73.95 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 116.395 -0.366 . . . . 1.79 111.269 176.314 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 80.7 t80 -59.46 -40.81 88.08 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.268 -0.424 . . . . 0.57 110.67 176.176 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.494 HD13 ' HA ' ' A' ' 33' ' ' ARG . 84.9 mt -67.14 -38.1 84.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.914 0.388 . . . . 0.37 110.586 -177.679 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 25.8 mtpp -61.34 -51.08 70.34 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.969 -0.56 . . . . 1.88 109.944 176.494 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.35 -38.9 88.63 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.134 -0.939 . . . . 0.44 110.929 178.41 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 13.0 tpt180 -71.55 -9.03 57.59 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.073 -0.512 . . . . 1.29 111.233 -177.05 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 99.67 30.38 6.52 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.518 -0.849 . . . . 0.62 113.58 173.42 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 71.5 m-85 -107.45 117.03 33.03 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.283 0.563 . . . . 0.64 109.995 176.068 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -65.84 -64.06 3.65 Favored Glycine 0 C--O 1.228 -0.275 0 CA-C-N 114.746 -1.116 . . . . 1.54 114.078 -173.066 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 86.1 t90 -156.89 -60.17 0.09 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 117.316 0.558 . . . . 1.18 111.306 -177.534 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 1.1 mm -51.63 -50.63 29.95 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.202 0 CA-C-O 120.977 0.418 . . . . 2.16 111.748 -178.217 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.644 ' O ' HG13 ' A' ' 36' ' ' ILE . 63.9 mmm -57.99 -38.99 77.12 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.843 -0.617 . . . . 0.97 111.462 179.227 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.628 ' O ' ' HG2' ' A' ' 37' ' ' LYS . 11.5 mtm180 -63.5 -26.56 68.77 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.974 0.416 . . . . 1.87 110.081 -179.64 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -77.89 -22.06 50.32 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.819 -0.628 . . . . 1.97 110.455 -179.645 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.421 ' CG1' ' HG3' ' A' ' 64' ' ' LYS . 50.8 t -89.69 -65.16 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-O 121.205 0.526 . . . . 0.68 110.69 176.144 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.644 HG13 ' O ' ' A' ' 32' ' ' MET . 26.4 mt -46.35 -49.91 5.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 N-CA-C 114.819 1.414 . . . . 0.51 114.819 -172.593 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.628 ' HG2' ' O ' ' A' ' 33' ' ' ARG . 46.6 pttt -82.53 -3.13 55.43 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 119.554 -0.858 . . . . 0.97 111.842 -174.279 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.504 HD22 ' HG3' ' A' ' 37' ' ' LYS . 4.6 mm? -96.25 -5.56 40.03 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.926 0.393 . . . . 2.08 110.512 178.245 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -81.16 108.23 14.64 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.117 -0.492 . . . . 1.03 111.122 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -82.18 61.26 4.72 Favored Glycine 0 N--CA 1.45 -0.39 0 CA-C-N 116.006 -0.543 . . . . 0.84 112.202 179.342 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.625 ' HB ' HG22 ' A' ' 62' ' ' THR . 2.7 p -53.53 144.68 4.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 N-CA-C 113.684 0.994 . . . . 1.3 113.684 179.224 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 37.8 m -117.09 127.89 54.59 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 114.568 -1.196 . . . . 0.45 108.905 176.074 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.498 ' HE2' ' SD ' ' A' ' 127' ' ' MET . 48.4 mttp -104.14 139.83 38.66 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.792 0.329 . . . . 0.79 110.83 -176.613 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.666 ' O ' ' HA ' ' A' ' 58' ' ' MET . 57.7 mtpt -125.34 106.71 10.04 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.145 -0.479 . . . . 1.96 111.292 -175.695 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.534 ' HZ ' ' CD1' ' A' ' 118' ' ' TYR . 56.6 m-85 -101.25 118.43 36.97 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.587 -0.523 . . . . 0.54 109.587 175.406 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 9.9 ptm180 -151.45 172.26 16.25 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 120.603 0.24 . . . . 3.17 111.229 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.472 ' HA ' ' CD2' ' A' ' 56' ' ' TYR . 33.1 m-80 -58.62 159.69 6.32 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.558 -0.746 . . . . 1.85 109.628 172.166 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.12 151.87 11.55 Favored 'General case' 0 CA--C 1.519 -0.219 0 N-CA-C 112.426 0.528 . . . . 0.87 112.426 -172.689 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -50.38 -60.46 2.97 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.711 -0.677 . . . . 1.48 110.984 -179.588 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 74.0 m -77.98 21.45 0.32 Allowed 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 112.965 0.728 . . . . 2.37 112.965 -178.166 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 62.04 37.53 94.59 Favored Glycine 0 CA--C 1.518 0.278 0 C-N-CA 121.115 -0.564 . . . . 1.91 113.815 176.59 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 5.8 mptp? -84.2 133.91 44.35 Favored Pre-proline 0 C--N 1.324 -0.531 0 N-CA-C 109.91 -0.404 . . . . 3.17 109.91 177.287 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.42 ' O ' ' HB2' ' A' ' 54' ' ' ASP . 67.5 Cg_endo -71.45 140.63 36.92 Favored 'Trans proline' 0 C--O 1.238 0.506 0 C-N-CA 122.605 2.203 . . . . 1.84 112.559 -178.439 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.42 ' HB2' ' O ' ' A' ' 53' ' ' PRO . 21.6 m-20 76.09 -38.86 0.35 Allowed 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 123.882 0.873 . . . . 2.44 110.857 179.452 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.412 ' HG2' ' HB2' ' A' ' 73' ' ' ALA . 60.8 mtp85 -72.3 143.03 48.85 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.254 0.549 . . . . 4.1 110.766 170.691 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.75 ' CE1' ' HB2' ' A' ' 3' ' ' LEU . 78.3 m-85 -128.92 -177.64 4.29 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.95 -0.568 . . . . 0.97 110.937 -177.132 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.44 ' OD2' ' HA ' ' A' ' 70' ' ' LYS . 11.0 t70 -137.58 143.09 41.35 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.042 -0.725 . . . . 1.1 109.042 -177.848 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.666 ' HA ' ' O ' ' A' ' 44' ' ' LYS . 1.3 tmm? -144.88 124.27 13.08 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.93 0.395 . . . . 0.98 110.815 -177.737 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -116.06 152.89 32.7 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.182 0.515 . . . . 1.11 111.986 -179.464 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.497 ' HB2' ' OG1' ' A' ' 67' ' ' THR . 49.2 m-80 -126.25 91.64 3.41 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.273 -0.876 . . . . 1.17 109.222 174.205 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.487 ' O ' ' HA ' ' A' ' 41' ' ' VAL . 3.8 mm? -85.61 111.7 20.31 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 109.653 -0.499 . . . . 1.67 109.653 179.549 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.625 HG22 ' HB ' ' A' ' 41' ' ' VAL . 3.8 p -116.69 -167.6 1.32 Allowed 'General case' 0 N--CA 1.443 -0.781 0 N-CA-C 109.882 -0.414 . . . . 0.45 109.882 -175.407 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 80.6 p -97.08 -31.86 12.27 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-O 120.989 0.423 . . . . 0.54 110.947 -176.606 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.421 ' HG3' ' CG1' ' A' ' 35' ' ' VAL . 48.6 mmtm -112.95 2.84 15.97 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.08 -0.509 . . . . 2.24 110.877 -177.595 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.447 ' O ' ' HB3' ' A' ' 66' ' ' ASP . 5.4 mmtt -153.68 -153.31 0.46 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.157 -0.474 . . . . 1.82 110.438 -176.571 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.447 ' HB3' ' O ' ' A' ' 65' ' ' LYS . 5.6 p-10 160.58 126.3 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 114.754 -1.112 . . . . 2.12 108.416 -174.018 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.497 ' OG1' ' HB2' ' A' ' 60' ' ' ASN . 67.6 p -133.4 152.22 51.9 Favored 'General case' 0 C--N 1.314 -0.955 0 N-CA-C 109.74 -0.467 . . . . 0.56 109.74 178.676 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 9.6 t-160 -140.44 98.27 3.39 Favored 'General case' 0 C--N 1.317 -0.832 0 N-CA-C 109.859 -0.423 . . . . 1.95 109.859 -177.168 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 14.8 m-70 -73.74 83.51 1.62 Allowed 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 108.03 -1.1 . . . . 0.39 108.03 173.374 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.44 ' HA ' ' OD2' ' A' ' 57' ' ' ASP . 10.5 ptpt -82.38 109.95 17.09 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.605 -0.725 . . . . 2.3 112.451 -172.009 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 7.0 t70 63.69 75.27 0.39 Allowed 'General case' 0 C--O 1.238 0.47 0 CA-C-N 114.69 -1.141 . . . . 2.07 111.395 173.604 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' TRP . . . . . 0.428 ' HE1' ' HB2' ' A' ' 58' ' ' MET . 69.4 p-90 -118.91 158.32 25.94 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.61 -0.723 . . . . 0.43 110.275 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.528 ' O ' ' HB3' ' A' ' 76' ' ' GLU . . . -120.04 149.14 42.66 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 110.148 -0.316 . . . . 0.55 110.148 174.642 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.588 HD13 ' H ' ' A' ' 74' ' ' LEU . 0.0 OUTLIER -64.79 144.11 57.48 Favored 'General case' 0 C--N 1.32 -0.707 0 C-N-CA 119.918 -0.713 . . . . 1.71 109.534 168.73 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 79.91 1.85 87.85 Favored Glycine 0 C--N 1.314 -0.676 0 CA-C-N 115.335 -0.848 . . . . 0.59 111.841 -171.056 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.528 ' HB3' ' O ' ' A' ' 73' ' ' ALA . 8.7 tp10 -106.3 153.25 22.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.402 0.62 . . . . 2.37 110.933 -176.332 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -125.54 108.97 12.12 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 114.768 -1.105 . . . . 1.4 108.413 -179.547 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 47.9 p90 -119.01 156.31 29.86 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-O 120.857 0.36 . . . . 0.57 111.001 -173.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 -91.8 139.28 30.82 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.226 -0.657 . . . . 1.95 109.226 175.039 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 43.2 t0 -165.28 167.69 17.68 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.112 -0.699 . . . . 1.26 109.112 -175.5 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.451 ' HA ' ' HA ' ' A' ' 87' ' ' GLN . 39.6 tt0 -103.15 113.81 27.59 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.006 -0.738 . . . . 2.13 109.006 178.81 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -85.24 175.69 8.79 Favored 'General case' 0 C--N 1.311 -1.084 0 CA-C-N 114.954 -1.021 . . . . 0.95 111.882 -174.596 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.445 HD22 HG21 ' A' ' 62' ' ' THR . 68.1 mt -63.93 -17.7 63.5 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.774 -0.648 . . . . 1.34 110.999 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.401 ' O ' ' HB3' ' A' ' 85' ' ' SER . 2.6 p30 -74.33 7.9 2.55 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.371 -0.831 . . . . 1.55 112.312 -179.717 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.401 ' HB3' ' O ' ' A' ' 84' ' ' ASP . 48.2 t 75.83 -2.33 2.79 Favored 'General case' 0 N--CA 1.467 0.407 0 N-CA-C 112.539 0.57 . . . . 1.21 112.539 172.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 13.6 p -119.56 165.52 14.32 Favored 'General case' 0 C--N 1.321 -0.63 0 O-C-N 121.959 -0.463 . . . . 0.93 110.272 175.448 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.451 ' HA ' ' HA ' ' A' ' 81' ' ' GLU . 1.6 pt20 -115.89 132.21 56.71 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.48 0.657 . . . . 1.88 110.171 -179.842 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . 0.629 ' HB2' ' O ' ' A' ' 105' ' ' ILE . 9.2 p80 -154.53 -174.69 5.07 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 114.748 -1.114 . . . . 1.04 109.723 -171.76 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.554 ' CG ' ' HB ' ' A' ' 105' ' ' ILE . 17.7 ptpt -80.29 147.91 30.96 Favored 'General case' 0 N--CA 1.448 -0.55 0 C-N-CA 120.404 -0.518 . . . . 1.49 109.73 179.497 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 71.4 mt -140.59 132.86 31.51 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.969 0 CA-C-N 115.455 -0.793 . . . . 0.54 109.739 178.291 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 52.6 m -116.59 129.81 56.38 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-O 121.134 0.493 . . . . 0.43 111.312 -179.69 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.422 ' CE1' ' HG3' ' A' ' 102' ' ' GLU . 8.4 m-85 -109.05 134.85 51.13 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 108.041 -1.096 . . . . 0.6 108.041 174.348 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -154.53 139.4 17.19 Favored 'General case' 0 C--N 1.315 -0.912 0 C-N-CA 120.613 -0.435 . . . . 1.69 110.518 -178.229 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.417 HD22 ' HG ' ' A' ' 100' ' ' LEU . 1.4 mm? -80.39 109.21 14.67 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 109.107 -0.701 . . . . 1.12 109.107 175.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 83.0 tttt -85.44 -55.23 4.11 Favored 'General case' 0 C--N 1.317 -0.821 0 N-CA-C 108.592 -0.892 . . . . 3.03 108.592 -173.787 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 43.7 m-20 -133.99 164.06 46.68 Favored Pre-proline 0 C--N 1.318 -0.782 0 N-CA-C 107.797 -1.186 . . . . 1.79 107.797 174.192 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_exo -67.18 4.89 1.01 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.829 2.353 . . . . 0.98 112.511 -178.278 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 5.0 p-10 -136.18 14.35 3.28 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.969 -0.56 . . . . 2.32 110.441 177.319 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 85.9 m -152.13 112.57 4.11 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-O 121.471 0.653 . . . . 0.56 112.268 -178.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.475 HD12 HD21 ' A' ' 3' ' ' LEU . 0.8 OUTLIER -93.95 139.31 31.07 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.903 -1.147 . . . . 1.1 107.903 173.327 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.497 HG22 ' HG2' ' A' ' 117' ' ' GLU . 17.3 p -112.95 133.86 54.72 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 119.255 0.934 . . . . 0.41 111.817 -178.848 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.422 ' HG3' ' CE1' ' A' ' 92' ' ' PHE . 30.5 tt0 -120.22 109.04 14.94 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.69 -0.686 . . . . 1.31 109.694 174.752 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 91.0 m -107.4 123.51 48.48 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.235 0.541 . . . . 0.51 110.932 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' HIS . . . . . 0.542 ' HB3' ' CE1' ' A' ' 88' ' ' HIS . 3.8 m170 -96.89 122.66 40.1 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.477 -0.783 . . . . 1.69 108.94 177.271 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.629 ' O ' ' HB2' ' A' ' 88' ' ' HIS . 47.0 mt -122.96 119.37 57.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 120.905 0.383 . . . . 0.75 110.217 174.005 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.511 ' HA ' ' CB ' ' A' ' 88' ' ' HIS . 55.7 mtpt -64.36 118.13 8.25 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.744 -0.662 . . . . 1.61 111.408 179.214 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.53 HG22 ' HA ' ' A' ' 88' ' ' HIS . 6.8 m -63.7 -18.34 22.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.466 -0.788 . . . . 1.32 111.424 176.568 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -90.25 -41.8 11.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.117 -0.492 . . . . 2.5 110.619 177.701 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . 0.504 ' O ' ' HB2' ' A' ' 106' ' ' LYS . 5.8 m-20 -138.49 88.94 14.1 Favored Pre-proline 0 C--N 1.326 -0.454 0 CA-C-N 116.166 -0.47 . . . . 2.39 110.547 176.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -70.62 3.5 3.14 Favored 'Trans proline' 0 C--O 1.234 0.3 0 C-N-CA 123.29 2.66 . . . . 0.9 112.883 -178.403 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 34.3 p -80.28 -28.31 38.38 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-O 121.246 0.546 . . . . 1.47 109.556 173.477 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -92.33 114.95 27.63 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.549 -0.75 . . . . 1.59 109.132 174.725 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.604 HG12 HG12 ' A' ' 105' ' ' ILE . 2.8 m -123.37 178.32 3.42 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.02 0 CA-C-N 115.909 -0.587 . . . . 1.6 109.821 -177.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -170.68 119.25 0.53 Allowed 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 109.834 -0.432 . . . . 2.78 109.834 -178.603 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 89.4 m -123.57 123.94 41.7 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.399 0.618 . . . . 0.53 111.939 -174.664 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' TYR . . . . . 0.44 ' HA ' ' O ' ' A' ' 128' ' ' LYS . 2.5 m-30 -99.17 156.93 16.71 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 107.201 -1.407 . . . . 0.96 107.201 171.395 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . 0.497 ' HG2' HG22 ' A' ' 101' ' ' THR . 36.7 mt-10 -133.21 122.48 24.03 Favored 'General case' 0 N--CA 1.444 -0.754 0 N-CA-C 107.146 -1.427 . . . . 1.27 107.146 172.811 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . 0.534 ' CD1' ' HZ ' ' A' ' 45' ' ' PHE . 73.9 m-85 -88.12 104.61 16.85 Favored 'General case' 0 C--N 1.316 -0.866 0 N-CA-C 109.283 -0.636 . . . . 0.6 109.283 -179.716 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . 0.411 ' NH1' ' HD3' ' A' ' 128' ' ' LYS . 17.2 ptt180 -115.8 149.88 37.83 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.835 -0.432 . . . . 3.41 109.835 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . 0.545 ' NH2' ' HA ' ' A' ' 123' ' ' ASP . 10.0 mmm180 -100.54 136.01 41.08 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.94 0.4 . . . . 1.96 111.464 -178.623 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -133.46 89.09 2.55 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.764 -0.653 . . . . 1.08 109.36 174.611 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 77.25 -109.69 2.85 Favored Glycine 0 N--CA 1.446 -0.645 0 CA-C-N 115.698 -0.683 . . . . 0.92 111.395 -176.751 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . 0.545 ' HA ' ' NH2' ' A' ' 120' ' ' ARG . 15.8 m-20 -109.84 10.37 24.52 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.091 0.472 . . . . 2.31 110.574 177.704 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -108.18 139.48 42.8 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.036 -0.529 . . . . 0.67 111.47 -175.259 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.454 ' O ' ' HB2' ' A' ' 140' ' ' TYR . 3.2 tm? -92.72 118.84 31.49 Favored 'General case' 0 N--CA 1.447 -0.606 0 N-CA-C 107.24 -1.392 . . . . 1.03 107.24 172.209 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 44.0 t -108.6 122.78 63.67 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.928 0 C-N-CA 120.327 -0.549 . . . . 0.47 110.671 -170.576 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' MET . . . . . 0.498 ' SD ' ' HE2' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -79.15 123.99 27.9 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.329 -0.851 . . . . 1.08 110.119 178.636 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . 0.552 ' HE2' ' OG ' ' A' ' 130' ' ' SER . 18.5 tptm -113.36 111.43 21.97 Favored 'General case' 0 C--N 1.317 -0.811 0 N-CA-C 109.347 -0.612 . . . . 2.2 109.347 177.498 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' MET . . . . . 0.493 ' HB2' ' CG2' ' A' ' 136' ' ' THR . 59.1 mtp -128.56 129.03 45.39 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.508 -0.553 . . . . 1.11 109.508 -179.821 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . 0.552 ' OG ' ' HE2' ' A' ' 128' ' ' LYS . 2.3 m -132.29 134.95 45.86 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.176 0.512 . . . . 1.06 111.005 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 131' ' ' TRP . . . . . . . . . . . . . 42.6 t-105 -148.91 129.46 13.98 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.269 -0.878 . . . . 0.76 109.687 176.575 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 68.5 mttm 54.37 38.61 29.84 Favored 'General case' 0 C--N 1.327 -0.389 0 O-C-N 123.664 0.603 . . . . 1.96 111.207 -178.339 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 82.88 -10.49 57.21 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.998 -0.62 . . . . 0.53 113.096 179.418 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . 0.508 ' O ' ' HA ' ' A' ' 130' ' ' SER . 8.2 t -86.86 108.34 17.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.753 0.277 . . . . 0.43 110.416 -178.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -102.36 126.71 49.46 Favored 'General case' 0 N--CA 1.445 -0.681 0 CA-C-O 121.506 0.67 . . . . 1.14 111.362 177.419 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 136' ' ' THR . . . . . 0.493 ' CG2' ' HB2' ' A' ' 129' ' ' MET . 5.1 t -114.38 135.73 53.77 Favored 'General case' 0 C--N 1.312 -1.03 0 CA-C-N 115.155 -0.929 . . . . 0.4 109.792 178.747 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 137' ' ' SER . . . . . 0.462 ' HA ' ' O ' ' A' ' 127' ' ' MET . 14.8 m -115.08 108.59 16.86 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.102 -0.499 . . . . 0.79 110.011 178.048 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 138' ' ' ARG . . . . . 0.443 ' HB2' ' HB3' ' A' ' 127' ' ' MET . 44.9 mtp180 -99.14 128.46 45.28 Favored 'General case' 0 C--N 1.319 -0.717 0 N-CA-C 109.244 -0.65 . . . . 1.84 109.244 178.456 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 91.1 m-85 -97.25 113.22 24.8 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 121.079 0.466 . . . . 0.64 111.301 -170.722 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 140' ' ' TYR . . . . . 0.454 ' HB2' ' O ' ' A' ' 125' ' ' LEU . 24.1 m-85 -104.71 135.1 46.72 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.52 -0.764 . . . . 0.6 109.585 177.166 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 141' ' ' LYS . . . . . 0.407 ' O ' ' N ' ' A' ' 12' ' ' LYS . 12.5 ptpt -109.11 169.2 8.84 Favored 'General case' 0 C--N 1.312 -1.038 0 N-CA-C 107.625 -1.25 . . . . 1.92 107.625 171.546 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 142' ' ' LYS . . . . . 0.489 ' O ' ' HG2' ' A' ' 12' ' ' LYS . 61.7 tttm -53.14 164.0 0.48 Allowed 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 118.599 0.636 . . . . 2.13 111.421 171.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . 0.568 ' CD ' ' HB3' ' A' ' 12' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.054 0 O-C-N 121.349 -0.844 . . . . 1.46 109.375 159.593 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.0 m . . . . . 0 N--CA 1.448 -0.573 0 CA-C-O 120.791 0.329 . . . . 0.99 110.335 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.632 ' HB2' ' CE1' ' A' ' 56' ' ' TYR . 0.5 OUTLIER -65.23 121.39 74.22 Favored Pre-proline 0 C--N 1.323 -0.551 0 CA-C-N 115.759 -0.655 . . . . 0.59 110.173 179.675 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . 0.433 ' HD2' HD23 ' A' ' 3' ' ' LEU . 25.4 Cg_exo -61.12 136.88 67.77 Favored 'Trans proline' 0 N--CA 1.46 -0.471 0 C-N-CA 122.58 2.187 . . . . 0.61 111.068 174.22 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . 0.67 ' HA ' HD12 ' A' ' 8' ' ' LEU . 4.7 m-20 -58.42 -21.46 50.9 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 115.88 -0.6 . . . . 2.19 111.022 -178.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 48.4 tttm -55.12 -33.84 63.2 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 115.542 -0.754 . . . . 2.53 112.164 175.155 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 70.6 m-85 -90.19 -2.04 58.01 Favored 'General case' 0 C--N 1.331 -0.199 0 O-C-N 121.934 -0.479 . . . . 0.6 110.905 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.67 HD12 ' HA ' ' A' ' 5' ' ' ASP . 90.4 mt -98.32 166.14 11.53 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.477 0.656 . . . . 0.46 111.773 -172.512 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 117.79 -162.73 12.95 Favored Glycine 0 N--CA 1.446 -0.689 0 CA-C-N 114.943 -1.026 . . . . 0.52 111.263 179.184 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.557 ' O ' ' HA ' ' A' ' 142' ' ' LYS . 14.9 t -130.17 140.24 50.78 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-O 121.115 0.484 . . . . 1.05 110.115 174.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.488 ' HA ' ' HA ' ' A' ' 142' ' ' LYS . 51.3 m-85 -131.08 132.43 44.87 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 115.724 -0.671 . . . . 0.47 111.229 -176.35 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.466 ' HB3' ' NE2' ' A' ' 143' ' ' GLN . 2.9 ptpp? -91.04 137.01 32.69 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 120.453 -0.499 . . . . 2.19 110.018 170.638 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.55 HD11 ' NH2' ' A' ' 138' ' ' ARG . 5.1 tt -54.5 119.72 5.64 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.696 -0.684 . . . . 1.14 110.675 175.126 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -90.81 -55.24 3.64 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.829 -0.434 . . . . 2.08 109.829 174.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 6.5 ptm180 -164.9 -171.47 2.27 Favored 'General case' 0 CA--C 1.529 0.157 0 CA-C-N 116.387 -0.369 . . . . 3.36 110.691 -177.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -159.52 170.83 20.84 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.203 -0.453 . . . . 1.19 110.427 177.266 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -139.56 127.72 22.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.392 -0.367 . . . . 2.66 110.413 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 64.7 t30 70.9 23.07 4.45 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-O 122.043 0.925 . . . . 0.76 110.994 176.244 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.4 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 28.9 t80 -72.09 -42.02 66.65 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.175 -0.92 . . . . 0.49 111.154 -174.258 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.563 ' OD1' ' HE2' ' A' ' 24' ' ' LYS . 21.3 t70 -53.12 -53.81 44.91 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 116.4 -0.363 . . . . 2.04 111.463 177.862 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -59.29 -36.47 75.64 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-N 116.111 -0.495 . . . . 1.79 111.549 -179.602 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 84.0 t80 -60.79 -38.4 85.17 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-O 120.804 0.335 . . . . 0.57 110.898 175.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.4 ' HG ' ' O ' ' A' ' 19' ' ' PHE . 84.5 mt -66.64 -36.88 83.63 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.784 0.326 . . . . 0.37 110.399 -179.085 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.563 ' HE2' ' OD1' ' A' ' 20' ' ' ASP . 68.0 mttm -63.13 -43.51 98.19 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.371 0.605 . . . . 1.88 109.633 176.46 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.71 -44.72 96.24 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 114.982 -1.008 . . . . 0.44 111.32 179.03 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 15.6 mmm180 -70.61 -10.39 59.19 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.325 -0.398 . . . . 1.29 111.838 -178.172 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 91.92 24.13 25.97 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.57 -0.824 . . . . 0.62 112.573 177.412 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 62.9 m-85 -89.68 122.21 32.58 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.798 -0.445 . . . . 0.64 109.798 177.082 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.478 ' O ' ' HG3' ' A' ' 33' ' ' ARG . . . -75.0 -175.75 36.51 Favored Glycine 0 N--CA 1.443 -0.861 0 CA-C-N 115.375 -0.83 . . . . 1.54 112.699 -176.483 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.461 ' O ' ' HG2' ' A' ' 34' ' ' GLN . 90.4 t90 -53.88 -51.61 63.1 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 122.478 0.311 . . . . 1.18 111.391 -175.234 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.432 HD13 ' HA ' ' A' ' 31' ' ' ILE . 1.0 OUTLIER -55.47 -53.16 39.12 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.139 0 CA-C-N 116.406 -0.361 . . . . 2.16 111.859 -179.41 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.611 ' O ' HG13 ' A' ' 36' ' ' ILE . 52.2 mmm -56.99 -43.94 82.24 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.324 -0.398 . . . . 0.97 111.354 179.85 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.478 ' HG3' ' O ' ' A' ' 29' ' ' GLY . 71.9 mtm-85 -62.36 -30.78 71.43 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 120.941 -0.304 . . . . 1.87 110.928 -179.322 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.57 ' O ' HD23 ' A' ' 38' ' ' LEU . 10.3 mm100 -72.58 -26.33 61.67 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.934 0.397 . . . . 1.97 110.403 178.45 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.46 HG13 ' HG3' ' A' ' 64' ' ' LYS . 83.6 t -83.92 -63.76 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 116.173 -0.467 . . . . 0.68 110.717 176.623 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.611 HG13 ' O ' ' A' ' 32' ' ' MET . 33.1 mt -48.91 -41.03 12.89 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.394 0 C-N-CA 123.976 0.91 . . . . 0.51 113.417 -176.519 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 56.5 mtmt -74.5 -24.24 58.97 Favored 'General case' 0 N--CA 1.466 0.342 0 O-C-N 122.058 -0.401 . . . . 0.97 112.055 -176.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.57 HD23 ' O ' ' A' ' 34' ' ' GLN . 3.9 mm? -103.84 3.3 33.71 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.79 0.328 . . . . 2.08 111.33 -174.022 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -89.83 120.1 30.78 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 120.898 0.38 . . . . 1.03 110.739 -179.713 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.449 ' O ' ' HA ' ' A' ' 62' ' ' THR . . . -72.93 143.55 33.63 Favored Glycine 0 N--CA 1.445 -0.753 0 N-CA-C 110.852 -0.899 . . . . 0.84 110.852 174.681 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.405 HG22 HG22 ' A' ' 62' ' ' THR . 45.9 t -127.86 133.49 67.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-O 121.109 0.48 . . . . 1.3 111.272 -173.747 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 99.5 m -114.17 115.76 28.0 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.598 -0.728 . . . . 0.45 110.54 174.58 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.434 ' O ' ' HA ' ' A' ' 10' ' ' THR . 74.8 mmtt -87.97 136.78 32.81 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.311 -0.626 . . . . 0.79 109.311 176.047 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.512 ' O ' ' HA ' ' A' ' 58' ' ' MET . 28.0 mtpp -137.42 103.48 5.08 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.741 0.305 . . . . 1.96 111.196 -179.639 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.481 ' HB3' HD23 ' A' ' 8' ' ' LEU . 79.5 m-85 -107.07 118.48 36.81 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.845 -0.616 . . . . 0.54 109.645 176.476 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.439 HH11 ' HD3' ' A' ' 46' ' ' ARG . 1.6 ptm180 -146.4 167.74 22.86 Favored 'General case' 0 C--N 1.32 -0.696 0 C-N-CA 121.015 -0.274 . . . . 3.17 111.225 -179.457 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 48.6 m-80 -54.26 147.15 13.81 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.691 -0.686 . . . . 1.85 109.373 172.498 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.478 ' O ' ' N ' ' A' ' 50' ' ' SER . . . -62.93 105.22 0.64 Allowed 'General case' 0 CA--C 1.51 -0.569 0 N-CA-C 112.809 0.67 . . . . 0.87 112.809 -170.808 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 55.32 -72.35 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.553 0 O-C-N 124.927 1.392 . . . . 1.48 113.85 167.736 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.478 ' N ' ' O ' ' A' ' 48' ' ' ALA . 42.4 m -80.93 -24.85 37.9 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.909 -0.587 . . . . 2.37 110.234 -176.536 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 115.04 33.35 1.67 Allowed Glycine 0 N--CA 1.447 -0.598 0 CA-C-N 115.55 -0.75 . . . . 1.91 111.34 -178.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -89.28 143.89 31.58 Favored Pre-proline 0 N--CA 1.444 -0.765 0 CA-C-N 115.33 -0.435 . . . . 3.17 110.218 -175.622 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.442 ' C ' ' H ' ' A' ' 55' ' ' ARG . 98.5 Cg_endo -88.34 167.17 6.49 Favored 'Trans proline' 0 N--CA 1.457 -0.628 0 C-N-CA 122.721 2.28 . . . . 1.84 112.492 178.199 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 36.5 m-20 69.91 -3.86 1.62 Allowed 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 123.402 0.681 . . . . 2.44 111.051 176.734 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.442 ' H ' ' C ' ' A' ' 53' ' ' PRO . 11.2 mtt180 -148.5 131.7 16.43 Favored 'General case' 0 N--CA 1.444 -0.73 0 N-CA-C 107.732 -1.21 . . . . 4.1 107.732 173.456 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.632 ' CE1' ' HB2' ' A' ' 3' ' ' LEU . 80.4 m-85 -129.56 175.5 8.74 Favored 'General case' 0 C--N 1.314 -0.976 0 CA-C-O 121.343 0.592 . . . . 0.97 111.945 -169.709 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.47 ' OD2' ' HA ' ' A' ' 70' ' ' LYS . 14.7 t70 -124.45 137.29 54.45 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 114.852 -1.067 . . . . 1.1 109.027 -177.427 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.512 ' HA ' ' O ' ' A' ' 44' ' ' LYS . 9.9 tpt -137.75 128.0 26.15 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.953 0.406 . . . . 0.98 110.597 -175.756 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.535 ' HG3' ' O ' ' A' ' 67' ' ' THR . 39.1 tt0 -131.92 143.43 50.12 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 116.164 -0.471 . . . . 1.11 111.139 -175.642 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.478 ' HB2' ' OG1' ' A' ' 67' ' ' THR . 37.3 m-80 -122.84 90.47 3.3 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 108.957 -0.757 . . . . 1.17 108.957 178.368 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 61.9 tp -88.97 123.48 33.34 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 109.5 -0.556 . . . . 1.67 109.5 179.623 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.449 ' HA ' ' O ' ' A' ' 40' ' ' GLY . 38.8 p -128.94 -173.0 2.86 Favored 'General case' 0 N--CA 1.442 -0.859 0 N-CA-C 109.742 -0.466 . . . . 0.45 109.742 -176.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 33.9 p -81.43 -24.69 36.72 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-O 121.206 0.527 . . . . 0.54 111.202 -177.794 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.46 ' HG3' HG13 ' A' ' 35' ' ' VAL . 30.9 mmmt -114.96 -24.13 8.76 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.937 -0.574 . . . . 2.24 111.901 -174.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.563 ' HE2' ' O ' ' A' ' 83' ' ' LEU . 29.8 mmmt -130.85 -156.62 0.77 Allowed 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.434 0.635 . . . . 1.82 112.607 -168.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.458 ' H ' ' HB3' ' A' ' 65' ' ' LYS . 13.3 t70 173.33 142.4 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 114.228 -1.351 . . . . 2.12 109.036 -171.318 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.535 ' O ' ' HG3' ' A' ' 59' ' ' GLU . 5.3 p -152.1 136.92 17.11 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 108.54 -0.911 . . . . 0.56 108.54 173.654 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 8.1 t-160 -131.63 84.3 2.16 Favored 'General case' 0 C--N 1.316 -0.89 0 C-N-CA 120.459 -0.496 . . . . 1.95 109.724 -176.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 17.2 m-70 -73.04 85.73 1.31 Allowed 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 108.701 -0.852 . . . . 0.39 108.701 177.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.47 ' HA ' ' OD2' ' A' ' 57' ' ' ASP . 14.6 ptpt -89.65 122.92 33.24 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 120.992 0.425 . . . . 2.3 112.12 -175.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.434 ' OD1' ' HD3' ' A' ' 55' ' ' ARG . 38.9 t70 65.75 75.05 0.36 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 114.933 -1.031 . . . . 2.07 111.209 173.591 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 65.3 p-90 -128.32 159.02 36.59 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.791 -0.641 . . . . 0.43 110.305 176.22 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.513 ' O ' ' HB3' ' A' ' 76' ' ' GLU . . . -127.97 155.37 44.37 Favored 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 109.835 -0.432 . . . . 0.55 109.835 171.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.645 HD13 ' H ' ' A' ' 74' ' ' LEU . 0.0 OUTLIER -63.76 147.02 52.78 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.313 0.577 . . . . 1.71 109.931 171.9 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 73.55 6.74 71.9 Favored Glycine 0 C--N 1.313 -0.709 0 CA-C-N 115.501 -0.772 . . . . 0.59 111.9 -171.64 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.513 ' HB3' ' O ' ' A' ' 73' ' ' ALA . 34.6 tt0 -114.54 150.58 34.72 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-O 121.112 0.482 . . . . 2.37 110.541 -178.529 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.402 ' CD ' ' HD2' ' A' ' 89' ' ' LYS . 29.0 tt0 -131.32 123.53 28.5 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.239 -0.892 . . . . 1.4 109.36 -172.846 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 45.1 p90 -133.94 161.88 33.59 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.934 0.397 . . . . 0.57 111.644 -174.508 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 57.3 tt0 -84.84 134.57 34.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.679 -0.691 . . . . 1.95 109.504 175.631 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -143.48 155.77 44.45 Favored 'General case' 0 C--O 1.242 0.68 0 CA-C-O 120.812 0.339 . . . . 1.26 111.266 -170.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.427 ' HG3' ' OE1' ' A' ' 87' ' ' GLN . 28.0 tt0 -93.36 89.17 6.25 Favored 'General case' 0 N--CA 1.447 -0.581 0 N-CA-C 107.81 -1.181 . . . . 2.13 107.81 175.309 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.88 166.88 12.54 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 114.364 -1.289 . . . . 0.95 114.127 -164.765 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.563 ' O ' ' HE2' ' A' ' 65' ' ' LYS . 13.2 tp -71.98 -28.37 63.37 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 113.383 -1.735 . . . . 1.34 110.43 -174.844 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -83.04 26.84 0.59 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.74 -0.664 . . . . 1.55 111.794 178.103 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 69.6 m 62.25 33.45 16.65 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 115.763 -0.653 . . . . 1.21 112.183 171.413 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 23.3 p -131.54 174.11 10.43 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.184 -0.462 . . . . 0.93 110.462 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.427 ' OE1' ' HG3' ' A' ' 81' ' ' GLU . 9.8 mm100 -120.45 101.84 8.05 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 108.852 -0.796 . . . . 1.88 108.852 179.204 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . 0.59 ' HB2' ' O ' ' A' ' 105' ' ' ILE . 16.3 p80 -147.03 177.05 9.46 Favored 'General case' 0 C--N 1.319 -0.749 0 C-N-CA 120.386 -0.526 . . . . 1.04 111.163 -175.488 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.402 ' HD2' ' CD ' ' A' ' 77' ' ' GLU . 55.7 pttt -85.63 153.97 22.01 Favored 'General case' 0 N--CA 1.442 -0.857 0 CA-C-O 121.184 0.516 . . . . 1.49 110.364 -174.726 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 52.1 mt -140.23 137.56 37.39 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.944 0 CA-C-N 115.238 -0.892 . . . . 0.54 110.113 -179.361 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 9.8 m -123.78 141.2 52.25 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.121 -0.49 . . . . 0.43 110.602 -179.534 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 52.7 m-85 -112.7 149.47 32.87 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 108.527 -0.916 . . . . 0.6 108.527 173.112 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -155.44 130.62 9.5 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 120.794 0.331 . . . . 1.69 111.023 178.341 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -82.05 106.04 13.64 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 108.206 -1.035 . . . . 1.12 108.206 174.252 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 52.4 tttm -85.2 -57.65 3.0 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 109.265 -0.642 . . . . 3.03 109.265 -172.366 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 37.6 m-20 -129.59 164.59 38.88 Favored Pre-proline 0 C--N 1.319 -0.74 0 N-CA-C 107.92 -1.141 . . . . 1.79 107.92 177.715 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 21.2 Cg_exo -66.79 8.16 0.36 Allowed 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.938 2.425 . . . . 0.98 113.097 -176.519 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -145.68 25.5 1.32 Allowed 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.321 -0.622 . . . . 2.32 109.321 174.731 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 22.0 m -151.51 103.81 3.01 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 121.198 0.523 . . . . 0.56 112.081 -179.715 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.484 ' HB3' ' HB2' ' A' ' 118' ' ' TYR . 18.9 tp -94.28 151.67 19.26 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 108.207 -1.035 . . . . 1.1 108.207 169.38 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 13.9 p -129.87 139.93 51.09 Favored 'General case' 0 C--N 1.322 -0.629 0 O-C-N 121.502 -0.749 . . . . 0.41 111.573 179.495 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.4 ' HB2' ' HE2' ' A' ' 118' ' ' TYR . 54.2 tt0 -117.21 108.33 15.53 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.172 -0.677 . . . . 1.31 109.172 175.559 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 93.6 m -102.17 118.99 38.05 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.039 -0.528 . . . . 0.51 110.839 -176.142 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' HIS . . . . . 0.443 ' HB3' ' CE1' ' A' ' 88' ' ' HIS . 9.8 m170 -99.98 121.93 42.11 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.835 -0.62 . . . . 1.69 109.788 179.372 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.59 ' O ' ' HB2' ' A' ' 88' ' ' HIS . 57.1 mt -124.14 118.97 55.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 121.206 0.527 . . . . 0.75 111.456 175.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.544 ' HA ' ' CB ' ' A' ' 88' ' ' HIS . 60.9 mttp -62.2 113.42 2.86 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 114.903 -1.044 . . . . 1.61 111.125 176.451 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 16.1 m -59.28 -22.2 21.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.224 -0.898 . . . . 1.32 112.029 178.782 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -86.57 -34.47 19.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.872 0.368 . . . . 2.5 110.662 179.702 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . 0.416 ' O ' ' HB2' ' A' ' 106' ' ' LYS . 27.1 t70 -148.65 93.43 4.29 Favored Pre-proline 0 C--N 1.327 -0.375 0 CA-C-O 121.601 0.715 . . . . 2.39 109.778 178.387 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -75.31 9.39 2.16 Favored 'Trans proline' 0 C--N 1.33 -0.411 0 C-N-CA 123.223 2.615 . . . . 0.9 113.724 -173.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 33.3 p -85.54 -24.66 27.19 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.299 -0.56 . . . . 1.47 110.017 177.761 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -90.22 58.28 4.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.481 0.658 . . . . 1.59 109.988 176.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 7.2 p -61.86 155.47 4.56 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.248 0 CA-C-N 115.282 -0.872 . . . . 1.6 109.683 172.281 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -152.17 125.41 8.7 Favored 'General case' 0 C--N 1.313 -1.0 0 N-CA-C 109.177 -0.675 . . . . 2.78 109.177 -179.21 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 24.6 m -130.59 132.41 45.51 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 121.283 0.563 . . . . 0.53 111.408 -173.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 3.8 m-30 -112.95 157.18 21.8 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 106.556 -1.646 . . . . 0.96 106.556 170.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . 0.475 ' O ' ' HA ' ' A' ' 127' ' ' MET . 32.5 mt-10 -125.19 138.2 54.13 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 108.485 -0.931 . . . . 1.27 108.485 179.241 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . 0.484 ' HB2' ' HB3' ' A' ' 100' ' ' LEU . 97.8 m-85 -103.52 86.31 2.62 Favored 'General case' 0 C--N 1.313 -1.018 0 CA-C-O 121.061 0.457 . . . . 0.6 109.862 177.706 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -113.08 138.97 49.13 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 108.539 -0.912 . . . . 3.41 108.539 177.128 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . 0.426 ' HG2' ' HA ' ' A' ' 125' ' ' LEU . 13.7 mtp180 -104.15 140.79 37.3 Favored 'General case' 0 C--N 1.314 -0.967 0 C-N-CA 119.687 -0.805 . . . . 1.96 111.772 -175.26 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -92.85 -15.34 26.56 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 114.937 -1.029 . . . . 1.08 110.056 -178.745 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 145.62 -80.71 0.22 Allowed Glycine 0 N--CA 1.445 -0.722 0 N-CA-C 110.759 -0.937 . . . . 0.92 110.759 -177.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 -92.91 -21.17 19.99 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.065 0.46 . . . . 2.31 109.868 176.057 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . 0.667 ' CE2' ' HB3' ' A' ' 141' ' ' LYS . 95.6 m-85 -111.21 139.43 46.61 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-N 115.912 -0.586 . . . . 0.67 110.854 -175.715 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.426 ' HA ' ' HG2' ' A' ' 120' ' ' ARG . 0.3 OUTLIER -84.21 127.45 33.95 Favored 'General case' 0 N--CA 1.439 -0.991 0 N-CA-C 106.896 -1.52 . . . . 1.03 106.896 170.075 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 38.9 t -110.09 108.92 26.62 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.05 0 N-CA-C 109.53 -0.544 . . . . 0.47 109.53 -176.183 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' MET . . . . . 0.475 ' HA ' ' O ' ' A' ' 117' ' ' GLU . 20.5 ttm -80.92 122.83 27.73 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 115.295 -0.866 . . . . 1.08 109.048 176.5 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . 0.465 ' HB3' ' HB2' ' A' ' 117' ' ' GLU . 41.0 tptt -109.66 112.47 24.56 Favored 'General case' 0 C--N 1.316 -0.872 0 N-CA-C 109.267 -0.642 . . . . 2.2 109.267 -175.719 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' MET . . . . . 0.512 ' HB2' ' CG2' ' A' ' 136' ' ' THR . 30.7 mtp -121.63 125.0 45.66 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 109.118 -0.697 . . . . 1.11 109.118 -176.732 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 3.6 p -135.9 129.95 33.05 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.08 0.467 . . . . 1.06 111.65 -177.038 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 131' ' ' TRP . . . . . 0.572 ' CD1' ' HG2' ' A' ' 132' ' ' LYS . 52.9 t-105 -153.36 136.94 15.96 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.622 -0.717 . . . . 0.76 110.226 179.635 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . 0.572 ' HG2' ' CD1' ' A' ' 131' ' ' TRP . 75.7 mmtt 52.09 38.85 25.24 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 115.913 -0.585 . . . . 1.96 111.603 -177.458 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 81.88 -11.6 46.77 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 121.027 -0.606 . . . . 0.53 112.994 178.679 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 39.2 t -89.71 109.33 20.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 120.821 0.343 . . . . 0.43 110.393 -178.285 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -103.92 129.01 51.41 Favored 'General case' 0 N--CA 1.445 -0.692 0 CA-C-O 121.286 0.565 . . . . 1.14 111.248 177.782 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 136' ' ' THR . . . . . 0.512 ' CG2' ' HB2' ' A' ' 129' ' ' MET . 6.9 t -119.21 141.79 48.59 Favored 'General case' 0 C--N 1.312 -1.024 0 CA-C-N 115.226 -0.897 . . . . 0.4 109.99 179.123 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 12.1 m -116.73 116.38 27.41 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.874 -0.603 . . . . 0.79 109.641 179.452 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 138' ' ' ARG . . . . . 0.55 ' NH2' HD11 ' A' ' 13' ' ' LEU . 29.5 mtp180 -103.47 133.05 49.17 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.728 -0.471 . . . . 1.84 109.728 179.231 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 86.6 m-85 -106.31 113.03 26.32 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.243 0.544 . . . . 0.64 110.858 -173.306 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 63.4 m-85 -110.42 132.51 54.12 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.284 -0.871 . . . . 0.6 110.699 179.646 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 141' ' ' LYS . . . . . 0.667 ' HB3' ' CE2' ' A' ' 124' ' ' TYR . 0.0 OUTLIER -118.87 160.63 21.57 Favored 'General case' 0 C--O 1.212 -0.908 0 N-CA-C 107.396 -1.335 . . . . 1.92 107.396 172.682 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 142' ' ' LYS . . . . . 0.576 ' O ' ' HD3' ' A' ' 141' ' ' LYS . 86.5 tttt -41.74 153.17 0.06 Allowed 'General case' 0 N--CA 1.477 0.906 0 CA-C-N 118.43 0.559 . . . . 2.13 112.378 -177.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . 0.478 ' HB2' HG23 ' A' ' 10' ' ' THR . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.026 0 O-C-N 120.598 -1.314 . . . . 1.46 111.029 168.819 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.8 m . . . . . 0 C--O 1.237 0.41 0 CA-C-O 120.79 0.329 . . . . 0.99 110.619 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.527 ' HB2' ' CZ ' ' A' ' 56' ' ' TYR . 1.0 OUTLIER -62.36 121.38 66.36 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 115.577 -0.738 . . . . 0.59 111.146 -175.413 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . 0.51 ' HD2' HD23 ' A' ' 3' ' ' LEU . 32.0 Cg_exo -56.82 124.35 16.04 Favored 'Trans proline' 0 N--CA 1.46 -0.483 0 C-N-CA 122.592 2.195 . . . . 0.61 110.727 172.329 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . 0.501 ' HA ' HD12 ' A' ' 8' ' ' LEU . 6.5 m-20 -50.42 -25.82 4.33 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 115.968 -0.56 . . . . 2.19 112.309 -178.566 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.479 ' HB3' ' HG3' ' A' ' 120' ' ' ARG . 74.5 mmtt -58.21 -25.64 61.87 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 112.153 0.427 . . . . 2.53 112.153 178.321 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.444 ' HZ ' ' C ' ' A' ' 98' ' ' ASN . 26.1 m-85 -94.21 -2.47 52.43 Favored 'General case' 0 C--O 1.226 -0.159 0 O-C-N 122.165 -0.335 . . . . 0.6 111.277 -178.692 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.501 HD12 ' HA ' ' A' ' 5' ' ' ASP . 97.5 mt -95.6 151.49 19.29 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.197 0.522 . . . . 0.46 111.422 -171.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 116.98 -176.18 16.08 Favored Glycine 0 N--CA 1.445 -0.747 0 CA-C-N 115.184 -0.917 . . . . 0.52 110.958 -176.62 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.616 HG23 ' HB2' ' A' ' 143' ' ' GLN . 14.7 t -114.06 141.12 47.86 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-O 121.142 0.496 . . . . 1.05 110.068 178.412 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.572 ' HA ' ' HA ' ' A' ' 142' ' ' LYS . 63.2 m-85 -129.73 130.77 45.87 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 115.771 -0.65 . . . . 0.47 111.637 -175.428 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.544 ' HG3' ' O ' ' A' ' 142' ' ' LYS . 0.0 OUTLIER -93.79 134.04 36.56 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-O 121.192 0.52 . . . . 2.19 109.905 169.011 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -57.12 123.46 15.33 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.224 -0.443 . . . . 1.14 110.43 177.494 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -99.1 -45.55 5.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.472 -0.331 . . . . 2.08 110.86 179.254 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 12.0 ptm180 -153.27 178.27 9.95 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.988 0.423 . . . . 3.36 111.06 179.383 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -153.15 153.12 32.15 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.638 -0.71 . . . . 1.19 109.751 -179.348 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 48.0 mm-40 -132.4 118.62 19.59 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.486 -0.324 . . . . 2.66 110.71 -178.267 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 5.3 t30 66.32 31.55 8.33 Favored 'General case' 0 N--CA 1.468 0.475 0 CA-C-O 122.02 0.914 . . . . 0.76 110.524 175.706 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.452 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 36.3 t80 -77.39 -40.49 43.55 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 114.987 -1.006 . . . . 0.49 110.229 -177.465 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -55.15 -53.43 56.04 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.118 -0.492 . . . . 2.04 110.371 175.779 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 22.9 mp0 -51.91 -45.92 64.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.604 -0.726 . . . . 1.79 111.45 176.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 90.6 t80 -60.16 -37.65 80.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.506 -0.316 . . . . 0.57 111.392 179.025 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.452 ' HG ' ' O ' ' A' ' 19' ' ' PHE . 95.2 mt -63.77 -38.54 91.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.004 0.43 . . . . 0.37 110.083 -179.113 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.449 ' HG2' ' NH1' ' A' ' 33' ' ' ARG . 52.6 mtpt -66.2 -47.56 73.5 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.848 -0.615 . . . . 1.88 110.003 177.396 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -55.33 -44.99 76.39 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.412 -0.813 . . . . 0.44 111.37 178.792 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 11.1 mmm180 -71.83 -3.8 24.31 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.274 0.472 . . . . 1.29 112.274 -178.131 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 88.21 25.37 31.43 Favored Glycine 0 N--CA 1.444 -0.817 0 C-N-CA 120.485 -0.864 . . . . 0.62 112.581 176.37 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 67.9 m-85 -89.2 123.99 33.95 Favored 'General case' 0 N--CA 1.448 -0.529 0 N-CA-C 109.316 -0.624 . . . . 0.64 109.316 173.647 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -77.46 -175.31 42.96 Favored Glycine 0 N--CA 1.444 -0.776 0 C-N-CA 120.515 -0.85 . . . . 1.54 111.003 178.682 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.45 ' HE3' HD12 ' A' ' 31' ' ' ILE . 78.0 t90 -54.4 -41.65 69.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 117.07 0.435 . . . . 1.18 111.006 -178.859 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.489 HD12 ' N ' ' A' ' 31' ' ' ILE . 2.1 mp -57.6 -54.65 28.51 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.527 0 CA-C-O 120.981 0.42 . . . . 2.16 110.383 -174.296 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.38 -44.87 81.92 Favored 'General case' 0 N--CA 1.437 -1.076 0 CA-C-N 115.605 -0.725 . . . . 0.97 110.578 179.192 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.449 ' NH1' ' HG2' ' A' ' 24' ' ' LYS . 32.3 ttp180 -58.82 -31.52 68.55 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.25 -0.432 . . . . 1.87 110.645 -178.192 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.527 ' O ' HD23 ' A' ' 38' ' ' LEU . 0.8 OUTLIER -72.17 -49.62 34.19 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.86 -0.609 . . . . 1.97 109.753 177.077 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 55.6 t -68.25 -53.47 28.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.09 -0.504 . . . . 0.68 111.235 -174.589 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 94.0 mt -46.7 -40.88 4.83 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 114.917 -1.038 . . . . 0.51 113.53 179.336 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 50.8 mtmt -80.63 -12.17 59.54 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 120.671 -0.412 . . . . 0.97 111.722 -178.205 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.527 HD23 ' O ' ' A' ' 34' ' ' GLN . 4.1 mm? -91.19 7.7 39.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.231 0.538 . . . . 2.08 110.372 174.764 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.585 ' HA ' ' OG1' ' A' ' 63' ' ' THR . . . -103.55 108.33 19.55 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.839 -0.619 . . . . 1.03 111.324 -179.309 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.632 ' O ' ' HA ' ' A' ' 62' ' ' THR . . . -70.88 134.23 23.45 Favored Glycine 0 N--CA 1.449 -0.433 0 N-CA-C 110.412 -1.075 . . . . 0.84 110.412 171.685 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 41.0 t -114.9 126.94 72.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-O 120.989 0.424 . . . . 1.3 111.8 -170.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 53.7 m -116.22 119.06 34.54 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.678 -0.692 . . . . 0.45 110.754 176.253 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -92.39 144.62 25.19 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.692 -0.485 . . . . 0.79 109.692 176.672 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.526 ' O ' ' HA ' ' A' ' 58' ' ' MET . 68.2 mttm -140.09 102.01 4.29 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.595 0.236 . . . . 1.96 110.814 178.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 89.0 m-85 -105.64 129.92 53.78 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.829 -0.434 . . . . 0.54 109.829 177.24 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 39.1 ptt180 -159.8 172.87 16.89 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 120.89 0.376 . . . . 3.17 110.931 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 50.1 m-80 -65.39 154.04 39.55 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 108.77 -0.826 . . . . 1.85 108.77 172.484 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.448 ' HA ' ' HB2' ' A' ' 57' ' ' ASP . . . -51.91 131.19 30.91 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-O 121.139 0.495 . . . . 0.87 111.277 -176.071 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.17 -29.96 70.35 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 114.922 -1.035 . . . . 1.48 111.133 -172.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 35.2 p -64.1 -4.34 3.45 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 112.832 0.678 . . . . 2.37 112.832 175.128 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 75.53 18.97 79.64 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.7 -0.762 . . . . 1.91 112.421 -176.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 50.6 mtpt -90.02 134.85 30.94 Favored Pre-proline 0 C--N 1.326 -0.437 0 CA-C-O 120.68 0.276 . . . . 3.17 110.583 179.787 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.401 ' O ' ' HB3' ' A' ' 54' ' ' ASP . 71.7 Cg_endo -75.65 152.3 37.66 Favored 'Trans proline' 0 C--O 1.236 0.41 0 C-N-CA 122.977 2.451 . . . . 1.84 112.283 -178.509 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.401 ' HB3' ' O ' ' A' ' 53' ' ' PRO . 35.1 t70 83.9 -53.13 0.14 Allowed 'General case' 0 N--CA 1.469 0.48 0 O-C-N 124.187 0.929 . . . . 2.44 109.374 176.101 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.426 ' HD3' ' OD1' ' A' ' 71' ' ' ASP . 69.6 mtt180 -61.68 149.17 40.32 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.026 -0.988 . . . . 4.1 111.93 172.35 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.527 ' CZ ' ' HB2' ' A' ' 3' ' ' LEU . 80.2 m-85 -125.63 174.34 8.34 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.657 -0.701 . . . . 0.97 110.13 174.818 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.448 ' HB2' ' HA ' ' A' ' 48' ' ' ALA . 30.0 t70 -132.17 135.86 46.66 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.441 -0.577 . . . . 1.1 109.441 -178.66 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.526 ' HA ' ' O ' ' A' ' 44' ' ' LYS . 10.9 tpt -138.79 132.31 30.42 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 120.584 0.231 . . . . 0.98 111.27 -174.025 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.414 ' HG3' ' O ' ' A' ' 67' ' ' THR . 44.0 tt0 -130.72 145.63 51.99 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.048 0.451 . . . . 1.11 111.613 -179.109 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.489 ' HB2' ' OG1' ' A' ' 67' ' ' THR . 27.7 m-80 -126.45 106.1 9.23 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 115.661 -0.699 . . . . 1.17 109.265 176.423 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 92.1 mt -100.99 136.13 41.32 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.514 -0.312 . . . . 1.67 110.368 178.149 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.632 ' HA ' ' O ' ' A' ' 40' ' ' GLY . 48.2 p -137.74 -173.31 3.46 Favored 'General case' 0 N--CA 1.447 -0.591 0 N-CA-C 108.886 -0.783 . . . . 0.45 108.886 178.783 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.585 ' OG1' ' HA ' ' A' ' 39' ' ' ALA . 52.7 p -93.23 -7.94 43.7 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.057 0.456 . . . . 0.54 111.139 -179.004 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 47.7 mmtm -124.63 -12.45 7.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.299 -0.409 . . . . 2.24 111.968 -177.258 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.44 ' HB3' ' H ' ' A' ' 66' ' ' ASP . 0.0 OUTLIER -140.76 -156.15 0.65 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.917 0.389 . . . . 1.82 111.354 -176.867 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.44 ' H ' ' HB3' ' A' ' 65' ' ' LYS . 5.8 p-10 168.07 114.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 114.91 -1.041 . . . . 2.12 109.626 -172.124 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.489 ' OG1' ' HB2' ' A' ' 60' ' ' ASN . 51.7 p -135.21 143.76 46.57 Favored 'General case' 0 C--N 1.315 -0.912 0 N-CA-C 109.724 -0.473 . . . . 0.56 109.724 -177.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.409 ' CD2' ' HE2' ' A' ' 70' ' ' LYS . 3.4 t60 -146.77 100.43 3.32 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.375 0.607 . . . . 1.95 111.014 -177.299 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 25.4 m-70 -79.98 88.82 5.33 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.66 -0.7 . . . . 0.39 109.55 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.409 ' HE2' ' CD2' ' A' ' 68' ' ' HIS . 0.0 OUTLIER -76.5 123.87 26.7 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 112.043 0.386 . . . . 2.3 112.043 179.073 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.426 ' OD1' ' HD3' ' A' ' 55' ' ' ARG . 0.7 OUTLIER 66.33 64.77 0.5 Allowed 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 115.411 -0.813 . . . . 2.07 112.213 170.781 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 68.5 p-90 -109.91 147.13 33.98 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 110.072 -0.344 . . . . 0.43 110.072 176.548 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -118.39 147.68 43.29 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.602 0.239 . . . . 0.55 110.772 178.336 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.453 HD21 ' HG ' ' A' ' 3' ' ' LEU . 3.0 mm? -55.42 128.29 33.62 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.092 0.472 . . . . 1.71 111.202 172.519 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 83.68 13.12 76.33 Favored Glycine 0 N--CA 1.445 -0.759 0 CA-C-N 115.409 -0.814 . . . . 0.59 112.289 -178.793 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -105.84 151.26 24.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.292 0.567 . . . . 2.37 111.185 -178.598 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -127.16 116.29 20.42 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.14 -0.936 . . . . 1.4 109.309 -178.439 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 44.0 p90 -136.4 159.44 41.76 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 116.356 -0.384 . . . . 0.57 110.186 -175.063 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 24.6 tt0 -95.75 136.15 36.54 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.132 -0.692 . . . . 1.95 109.132 177.289 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.457 ' O ' ' HA ' ' A' ' 87' ' ' GLN . 23.2 t70 -159.76 166.04 31.24 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 120.841 -0.344 . . . . 1.26 110.349 -175.1 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.505 ' CB ' ' HG2' ' A' ' 87' ' ' GLN . 33.3 tt0 -89.06 111.18 21.86 Favored 'General case' 0 CA--C 1.512 -0.513 0 N-CA-C 109.508 -0.553 . . . . 2.13 109.508 -178.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.488 ' HB2' HD11 ' A' ' 90' ' ' ILE . . . -94.54 176.45 6.28 Favored 'General case' 0 C--N 1.308 -1.196 0 CA-C-N 115.112 -0.949 . . . . 0.95 112.883 -176.483 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -55.68 -29.34 59.19 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.285 -0.416 . . . . 1.34 111.236 -178.47 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.403 ' OD1' ' HB3' ' A' ' 82' ' ' ALA . 14.3 p-10 -78.75 22.05 0.38 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.333 -0.394 . . . . 1.55 111.618 -177.442 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 15.8 m 76.15 -24.13 0.23 Allowed 'General case' 0 N--CA 1.466 0.367 0 N-CA-C 113.228 0.825 . . . . 1.21 113.228 166.663 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 22.9 p -95.61 169.22 10.18 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.145 0.498 . . . . 0.93 111.039 -179.461 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.505 ' HG2' ' CB ' ' A' ' 81' ' ' GLU . 16.3 mt-30 -113.86 119.03 35.9 Favored 'General case' 0 N--CA 1.44 -0.962 0 N-CA-C 108.456 -0.942 . . . . 1.88 108.456 177.365 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . 0.879 ' HA ' HG13 ' A' ' 107' ' ' VAL . 6.1 p80 -146.45 176.79 9.54 Favored 'General case' 0 C--N 1.309 -1.186 0 CA-C-N 115.835 -0.62 . . . . 1.04 111.59 -170.074 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.434 ' HB3' ' HB ' ' A' ' 105' ' ' ILE . 40.6 ttmt -61.86 131.5 49.98 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 114.974 -1.012 . . . . 1.49 110.305 178.69 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.488 HD11 ' HB2' ' A' ' 82' ' ' ALA . 71.3 mt -137.8 133.35 44.98 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.82 0 CA-C-N 115.917 -0.583 . . . . 0.54 110.223 178.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 46.2 m -118.24 129.11 55.29 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 116.312 -0.403 . . . . 0.43 110.596 176.652 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -105.72 123.05 47.31 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 108.417 -0.957 . . . . 0.6 108.417 173.242 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -154.24 147.61 24.96 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-O 120.626 0.251 . . . . 1.69 110.485 -171.541 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.414 ' CD2' ' HG ' ' A' ' 100' ' ' LEU . 1.2 mt -92.12 116.1 28.64 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.287 -0.634 . . . . 1.12 109.287 173.585 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 44.5 tttm -83.53 -44.8 14.27 Favored 'General case' 0 C--N 1.317 -0.808 0 N-CA-C 108.342 -0.984 . . . . 3.03 108.342 -178.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -126.23 163.76 38.04 Favored Pre-proline 0 C--N 1.319 -0.752 0 N-CA-C 107.31 -1.367 . . . . 1.79 107.31 173.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 16.3 Cg_exo -69.18 4.87 1.7 Allowed 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.871 2.381 . . . . 0.98 112.141 -177.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . 0.444 ' C ' ' HZ ' ' A' ' 7' ' ' PHE . 26.1 p-10 -145.96 27.39 1.18 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.594 -0.73 . . . . 2.32 110.243 -179.593 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 60.2 m -151.91 110.0 3.71 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.131 0.491 . . . . 0.56 111.139 178.248 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.414 ' HG ' ' CD2' ' A' ' 94' ' ' LEU . 0.8 OUTLIER -84.01 144.42 29.13 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.166 -1.05 . . . . 1.1 108.166 174.848 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 6.7 p -126.74 134.36 50.65 Favored 'General case' 0 C--N 1.319 -0.752 0 O-C-N 121.632 -0.668 . . . . 0.41 111.079 177.248 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -115.33 100.56 8.2 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.994 -0.743 . . . . 1.31 108.994 177.013 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 38.5 m -96.42 121.14 37.91 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.419 -0.355 . . . . 0.51 110.387 -175.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' HIS . . . . . 0.636 ' HB3' ' CE1' ' A' ' 88' ' ' HIS . 1.7 m80 -106.74 121.66 44.82 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.561 -0.29 . . . . 1.69 110.547 -178.063 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.593 ' O ' ' HB2' ' A' ' 88' ' ' HIS . 22.4 mt -116.27 112.32 39.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-O 121.061 0.457 . . . . 0.75 109.931 173.34 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.508 ' HA ' ' CB ' ' A' ' 88' ' ' HIS . 55.1 mttm -63.79 128.76 37.27 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.542 -0.754 . . . . 1.61 111.365 -178.221 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.879 HG13 ' HA ' ' A' ' 88' ' ' HIS . 29.3 m -58.1 -32.95 45.37 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.305 0 CA-C-N 114.418 -1.264 . . . . 1.32 111.189 179.644 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -84.2 -56.46 3.64 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.299 -0.864 . . . . 2.5 110.358 -178.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . 0.449 ' O ' ' HB2' ' A' ' 106' ' ' LYS . 59.2 m-20 -118.72 92.08 43.61 Favored Pre-proline 0 CA--C 1.517 -0.324 0 CA-C-O 121.181 0.515 . . . . 2.39 110.996 178.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . 0.405 ' HD2' ' HA ' ' A' ' 109' ' ' ASP . 57.4 Cg_endo -71.54 -5.69 17.58 Favored 'Trans proline' 0 N--CA 1.462 -0.37 0 C-N-CA 122.983 2.456 . . . . 0.9 111.207 175.303 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 25.7 p -79.63 -25.33 41.43 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-N 115.05 -0.977 . . . . 1.47 110.446 175.589 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . 0.48 ' OD1' ' HE3' ' A' ' 106' ' ' LYS . 34.6 t70 -106.29 58.88 0.65 Allowed 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.52 0.676 . . . . 1.59 110.247 -178.749 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.417 HG12 HG12 ' A' ' 105' ' ' ILE . 13.2 m -67.94 179.29 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.543 -0.753 . . . . 1.6 111.993 176.466 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 59.5 tt0 -171.39 141.2 1.52 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.65 -0.705 . . . . 2.78 109.348 177.179 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 87.5 m -137.25 133.91 35.6 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.248 0.546 . . . . 0.53 111.893 -176.412 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 6.2 m-30 -108.18 160.49 15.78 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 107.219 -1.401 . . . . 0.96 107.219 171.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . 0.588 ' O ' ' HA ' ' A' ' 127' ' ' MET . 11.4 pt-20 -141.63 138.42 32.54 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 118.997 0.817 . . . . 1.27 109.517 177.03 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 95.7 m-85 -108.69 108.51 19.39 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.106 -0.497 . . . . 0.6 110.915 -176.285 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 12.9 ptm180 -118.12 169.11 9.95 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.991 -0.374 . . . . 3.41 109.991 175.015 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . 0.479 ' HG3' ' HB3' ' A' ' 6' ' ' LYS . 6.5 mmm180 -117.96 106.97 13.49 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 120.934 0.397 . . . . 1.96 111.702 -179.113 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -114.64 97.45 6.29 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.002 -0.544 . . . . 1.08 109.778 179.213 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 80.68 -127.22 7.8 Favored Glycine 0 N--CA 1.445 -0.719 0 C-N-CA 120.901 -0.666 . . . . 0.92 111.807 -178.318 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 37.3 m-20 -102.49 14.23 32.49 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.798 0.332 . . . . 2.31 110.845 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . 0.499 ' CE2' ' HE3' ' A' ' 141' ' ' LYS . 71.4 m-85 -122.03 141.85 50.94 Favored 'General case' 0 CA--C 1.51 -0.585 0 CA-C-N 116.313 -0.403 . . . . 0.67 110.498 -176.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 28.8 tp -81.31 121.69 26.5 Favored 'General case' 0 N--CA 1.439 -1.014 0 N-CA-C 107.369 -1.345 . . . . 1.03 107.369 171.088 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 46.5 t -113.62 114.92 48.21 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.071 0 CA-C-O 121.54 0.686 . . . . 0.47 109.984 -172.731 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' MET . . . . . 0.588 ' HA ' ' O ' ' A' ' 117' ' ' GLU . 9.6 ttm -95.7 142.68 27.71 Favored 'General case' 0 C--N 1.309 -1.153 0 CA-C-N 114.785 -1.098 . . . . 1.08 109.682 178.226 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . 0.534 ' HB3' ' CG ' ' A' ' 117' ' ' GLU . 59.1 tttp -122.59 132.68 54.41 Favored 'General case' 0 C--N 1.312 -1.056 0 N-CA-C 108.853 -0.795 . . . . 2.2 108.853 175.75 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' MET . . . . . 0.448 ' HB2' ' CG2' ' A' ' 136' ' ' THR . 43.1 mtp -128.61 121.42 28.63 Favored 'General case' 0 C--N 1.317 -0.821 0 N-CA-C 107.815 -1.18 . . . . 1.11 107.815 179.016 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 1.6 m -132.95 137.1 46.47 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 120.389 -0.524 . . . . 1.06 111.713 -174.289 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 131' ' ' TRP . . . . . 0.473 ' CD1' ' HG3' ' A' ' 132' ' ' LYS . 61.6 t-105 -150.36 127.46 11.22 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.453 -0.794 . . . . 0.76 109.99 177.633 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . 0.473 ' HG3' ' CD1' ' A' ' 131' ' ' TRP . 56.8 mtmt 54.68 39.07 31.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.963 -0.562 . . . . 1.96 111.595 -176.47 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 82.72 -31.25 3.05 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.84 -0.695 . . . . 0.53 112.74 -178.62 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 61.1 t -68.98 123.02 21.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 N-CA-C 109.832 -0.432 . . . . 0.43 109.832 178.785 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 22.5 t -131.75 161.61 32.45 Favored 'General case' 0 N--CA 1.444 -0.755 0 CA-C-O 121.696 0.76 . . . . 1.14 111.438 -176.235 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 136' ' ' THR . . . . . 0.448 ' CG2' ' HB2' ' A' ' 129' ' ' MET . 4.3 t -138.42 139.88 39.09 Favored 'General case' 0 C--N 1.309 -1.159 0 CA-C-N 114.357 -1.292 . . . . 0.4 110.317 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 3.3 m -106.09 116.71 32.41 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.078 -0.51 . . . . 0.79 109.683 177.238 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 138' ' ' ARG . . . . . 0.542 ' HB2' ' HB3' ' A' ' 127' ' ' MET . 20.4 mmm180 -99.97 115.2 29.13 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 115.6 -0.727 . . . . 1.84 109.607 -178.128 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 92.6 m-85 -95.79 105.7 17.74 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.178 0.513 . . . . 0.64 110.854 -177.212 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 76.3 m-85 -100.7 119.12 38.13 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 115.534 -0.757 . . . . 0.6 111.305 -178.459 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 141' ' ' LYS . . . . . 0.499 ' HE3' ' CE2' ' A' ' 124' ' ' TYR . 2.4 tppp? -95.62 147.84 23.16 Favored 'General case' 0 N--CA 1.432 -1.352 0 N-CA-C 107.007 -1.479 . . . . 1.92 107.007 176.652 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 142' ' ' LYS . . . . . 0.572 ' HA ' ' HA ' ' A' ' 11' ' ' PHE . 56.3 mtpt -48.71 163.59 0.08 Allowed 'General case' 0 N--CA 1.475 0.776 0 CA-C-N 119.467 1.03 . . . . 2.13 111.901 175.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . 0.616 ' HB2' HG23 ' A' ' 10' ' ' THR . 40.3 mm-40 . . . . . 0 C--O 1.25 1.124 0 O-C-N 121.216 -0.927 . . . . 1.46 110.416 164.032 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.449 -0.501 0 N-CA-C 110.165 -0.309 . . . . 0.99 110.165 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.47 ' HB2' ' CE1' ' A' ' 56' ' ' TYR . 0.9 OUTLIER -57.06 122.34 52.71 Favored Pre-proline 0 C--N 1.325 -0.487 0 CA-C-N 115.857 -0.61 . . . . 0.59 110.856 -179.42 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . 0.46 ' HD2' HD23 ' A' ' 3' ' ' LEU . 48.5 Cg_exo -56.02 127.04 24.41 Favored 'Trans proline' 0 N--CA 1.463 -0.323 0 C-N-CA 122.792 2.328 . . . . 0.61 111.035 173.04 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . 0.469 ' HA ' HD12 ' A' ' 8' ' ' LEU . 5.5 p-10 -56.16 -23.97 38.28 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.188 -0.46 . . . . 2.19 112.206 -176.682 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 15.5 pttm -67.98 -11.46 58.9 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.352 0.501 . . . . 2.53 112.352 177.16 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.455 ' CE1' ' HG2' ' A' ' 120' ' ' ARG . 22.7 m-85 -95.49 -5.31 43.21 Favored 'General case' 0 CA--C 1.519 -0.228 0 O-C-N 121.839 -0.538 . . . . 0.6 110.481 175.62 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.531 HD23 ' HB3' ' A' ' 45' ' ' PHE . 78.4 mt -97.52 145.59 26.07 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.159 0.504 . . . . 0.46 111.036 -171.449 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 133.82 172.81 13.01 Favored Glycine 0 N--CA 1.449 -0.497 0 CA-C-N 115.255 -0.884 . . . . 0.52 111.59 -176.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.428 HG23 ' HB3' ' A' ' 44' ' ' LYS . 14.6 m -102.41 122.84 45.1 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.605 -0.517 . . . . 1.05 109.605 175.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.43 ' HA ' ' HA ' ' A' ' 142' ' ' LYS . 79.3 m-85 -116.76 134.64 54.55 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 112.234 0.457 . . . . 0.47 112.234 -172.714 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.684 ' HB3' ' NE2' ' A' ' 143' ' ' GLN . 19.7 ptpt -88.46 -161.29 0.72 Allowed 'General case' 0 N--CA 1.466 0.366 0 C-N-CA 120.49 -0.484 . . . . 2.19 109.79 165.126 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.447 HD12 ' CE1' ' A' ' 140' ' ' TYR . 7.2 tt -138.59 127.01 23.1 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 108.559 -0.904 . . . . 1.14 108.559 -174.854 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.421 ' HB2' ' HE3' ' A' ' 141' ' ' LYS . 42.8 tt0 -99.04 -48.49 4.85 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 121.104 -0.239 . . . . 2.08 111.444 -175.752 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 15.0 ptm180 -157.56 -173.65 4.5 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.967 0.413 . . . . 3.36 111.185 -176.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -167.06 161.82 15.05 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.565 -0.743 . . . . 1.19 109.513 -177.674 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 59.2 mm-40 -140.36 134.89 31.54 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 123.133 0.27 . . . . 2.66 111.023 -175.544 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 57.1 t30 67.83 25.66 7.84 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-O 121.74 0.781 . . . . 0.76 111.234 173.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.406 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 24.3 t80 -74.63 -41.47 60.31 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.443 -0.799 . . . . 0.49 111.117 -173.587 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -54.31 -55.29 29.79 Favored 'General case' 0 CA--C 1.516 -0.341 0 CA-C-O 120.582 0.229 . . . . 2.04 111.243 176.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -56.96 -37.71 71.96 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.036 -0.529 . . . . 1.79 111.174 -178.684 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 53.6 t80 -61.91 -43.21 99.32 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 120.824 -0.35 . . . . 0.57 110.943 174.127 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.406 ' HG ' ' O ' ' A' ' 19' ' ' PHE . 94.6 mt -63.34 -41.86 98.91 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.98 0.419 . . . . 0.37 110.298 -178.42 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -65.08 -43.33 92.48 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.7 -0.682 . . . . 1.88 110.2 179.637 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.44 -39.68 76.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.657 -0.701 . . . . 0.44 111.014 175.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.456 ' NH1' ' HB2' ' A' ' 114' ' ' GLU . 12.5 mmm180 -69.91 -17.77 63.35 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.712 -0.677 . . . . 1.29 111.267 178.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 96.93 12.01 51.25 Favored Glycine 0 N--CA 1.446 -0.694 0 C-N-CA 120.781 -0.723 . . . . 0.62 112.393 -179.709 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 58.1 m-85 -73.91 123.51 24.39 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.937 0.399 . . . . 0.64 110.17 178.735 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -77.38 -173.69 39.93 Favored Glycine 0 N--CA 1.443 -0.875 0 C-N-CA 120.732 -0.746 . . . . 1.54 112.343 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.574 ' O ' ' HG2' ' A' ' 34' ' ' GLN . 83.8 t90 -54.95 -51.34 66.45 Favored 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 122.465 0.306 . . . . 1.18 111.566 -176.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 1.3 mm -54.36 -52.07 42.76 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.208 0 CA-C-O 120.823 0.344 . . . . 2.16 111.772 -178.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.8 -44.89 82.39 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.147 -0.479 . . . . 0.97 110.71 179.513 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 47.5 mtm105 -63.68 -25.84 68.39 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 121.096 -0.242 . . . . 1.87 111.105 179.236 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.696 ' O ' HD23 ' A' ' 38' ' ' LEU . 26.1 mm-40 -76.67 -39.19 52.96 Favored 'General case' 0 C--O 1.223 -0.295 0 CA-C-O 120.796 0.331 . . . . 1.97 110.629 178.366 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.468 ' CG1' ' HG2' ' A' ' 64' ' ' LYS . 70.6 t -75.92 -63.77 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-O 121.149 0.5 . . . . 0.68 110.97 -179.191 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 83.8 mt -42.74 -45.76 1.18 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.445 0 C-N-CA 124.45 1.1 . . . . 0.51 113.685 -179.202 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 46.4 mtmt -78.42 -23.44 46.68 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.524 0.565 . . . . 0.97 112.524 -174.309 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.696 HD23 ' O ' ' A' ' 34' ' ' GLN . 4.6 mm? -85.79 -28.15 24.72 Favored 'General case' 0 C--N 1.321 -0.667 0 C-N-CA 120.762 -0.375 . . . . 2.08 111.038 -177.059 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.483 ' HA ' ' OG1' ' A' ' 63' ' ' THR . . . -65.64 122.76 17.99 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.087 -0.506 . . . . 1.03 111.166 176.506 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.434 ' H ' HG23 ' A' ' 63' ' ' THR . . . -76.11 150.96 39.79 Favored Glycine 0 N--CA 1.448 -0.517 0 N-CA-C 110.543 -1.023 . . . . 0.84 110.543 174.237 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.445 ' HA ' HG22 ' A' ' 62' ' ' THR . 40.9 t -124.7 126.83 72.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 117.376 0.588 . . . . 1.3 111.939 -173.254 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 23.2 m -116.24 113.45 23.04 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.319 -0.855 . . . . 0.45 109.691 174.526 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.5 ' HE2' ' CE ' ' A' ' 127' ' ' MET . 49.1 mttp -109.22 139.46 44.11 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.978 -0.379 . . . . 0.79 109.978 178.7 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.428 ' HB3' HG23 ' A' ' 10' ' ' THR . 15.8 ptmt -140.9 134.8 30.55 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-O 121.135 0.493 . . . . 1.96 111.529 -175.382 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.531 ' HB3' HD23 ' A' ' 8' ' ' LEU . 59.5 m-85 -121.22 140.53 51.9 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.071 -0.968 . . . . 0.54 109.53 176.146 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.416 ' HG3' ' HB3' ' A' ' 57' ' ' ASP . 36.7 ptt180 -164.98 173.92 11.05 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 116.313 -0.403 . . . . 3.17 110.564 -176.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 19.0 m120 -64.33 160.49 18.75 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.536 -0.756 . . . . 1.85 108.986 171.316 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -48.7 146.36 3.16 Favored 'General case' 0 N--CA 1.464 0.27 0 N-CA-C 112.388 0.514 . . . . 0.87 112.388 -174.616 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -43.05 -64.07 0.69 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.558 -0.746 . . . . 1.48 112.57 -176.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 65.2 m -63.01 -40.24 97.17 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.826 0.822 . . . . 2.37 109.879 177.681 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 122.15 31.0 1.13 Allowed Glycine 0 N--CA 1.446 -0.658 0 CA-C-N 114.963 -1.017 . . . . 1.91 112.057 176.654 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 29.3 mtpp -69.07 143.11 93.88 Favored Pre-proline 0 C--N 1.323 -0.56 0 N-CA-C 109.577 -0.527 . . . . 3.17 109.577 177.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.513 ' O ' ' HB3' ' A' ' 54' ' ' ASP . 87.9 Cg_endo -76.31 142.56 24.15 Favored 'Trans proline' 0 C--O 1.239 0.563 0 C-N-CA 122.509 2.139 . . . . 1.84 111.665 179.625 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.513 ' HB3' ' O ' ' A' ' 53' ' ' PRO . 21.9 t70 83.49 -52.88 0.15 Allowed 'General case' 0 N--CA 1.465 0.279 0 O-C-N 124.302 1.002 . . . . 2.44 109.395 178.237 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.448 ' HD2' ' HB2' ' A' ' 73' ' ' ALA . 14.6 mmm180 -64.32 135.95 56.69 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.745 -0.661 . . . . 4.1 110.977 172.788 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.47 ' CE1' ' HB2' ' A' ' 3' ' ' LEU . 57.0 m-85 -116.88 176.94 4.89 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 115.75 -0.659 . . . . 0.97 110.72 179.816 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.416 ' HB3' ' HG3' ' A' ' 46' ' ' ARG . 15.2 t70 -135.32 139.24 44.16 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.52 -0.548 . . . . 1.1 109.52 179.291 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.414 ' HG3' ' CE2' ' A' ' 45' ' ' PHE . 1.6 tmt? -142.16 141.84 32.67 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.229 -0.656 . . . . 0.98 109.229 -178.403 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.408 ' HG3' ' O ' ' A' ' 67' ' ' THR . 50.0 tt0 -144.35 148.83 35.23 Favored 'General case' 0 C--N 1.322 -0.598 0 C-N-CA 120.568 -0.453 . . . . 1.11 111.977 -174.324 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.474 ' OD1' ' HG2' ' A' ' 43' ' ' LYS . 43.4 m-80 -123.84 109.01 13.1 Favored 'General case' 0 CA--C 1.515 -0.385 0 CA-C-N 115.395 -0.821 . . . . 1.17 109.865 179.371 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 80.6 mt -108.72 124.99 51.43 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 110.069 -0.345 . . . . 1.67 110.069 177.172 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.445 HG22 ' HA ' ' A' ' 41' ' ' VAL . 42.6 p -131.21 -175.65 3.76 Favored 'General case' 0 N--CA 1.445 -0.701 0 N-CA-C 109.077 -0.712 . . . . 0.45 109.077 -179.595 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.483 ' OG1' ' HA ' ' A' ' 39' ' ' ALA . 25.0 p -84.16 -27.68 27.93 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-O 121.245 0.545 . . . . 0.54 110.721 179.622 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.468 ' HG2' ' CG1' ' A' ' 35' ' ' VAL . 23.4 tptp -105.21 -22.0 13.15 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.805 -0.634 . . . . 2.24 111.249 -173.026 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.465 ' HB3' ' H ' ' A' ' 66' ' ' ASP . 57.1 mmtt -142.14 -157.43 0.77 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.862 0.363 . . . . 1.82 111.543 -172.155 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.465 ' H ' ' HB3' ' A' ' 65' ' ' LYS . 6.1 p-10 168.17 132.4 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.141 -0.936 . . . . 2.12 109.488 -170.55 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.454 ' OG1' ' HB2' ' A' ' 60' ' ' ASN . 71.9 p -142.62 154.87 44.78 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 108.971 -0.752 . . . . 0.56 108.971 173.673 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 8.8 t-160 -142.61 99.34 3.47 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.035 0.445 . . . . 1.95 110.473 -178.392 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.463 ' CD2' ' HZ ' ' A' ' 92' ' ' PHE . 31.6 m-70 -77.11 84.55 3.6 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 108.659 -0.867 . . . . 0.39 108.659 175.149 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.452 ' H ' ' HG2' ' A' ' 70' ' ' LYS . 11.5 ptpt -80.24 123.27 27.8 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.015 -0.539 . . . . 2.3 112.355 -175.344 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.45 ' HA ' ' O ' ' A' ' 56' ' ' TYR . 6.5 p-10 46.91 69.56 0.48 Allowed 'General case' 0 N--CA 1.472 0.67 0 CA-C-N 114.585 -1.189 . . . . 2.07 112.619 175.115 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' TRP . . . . . 0.403 ' HE1' ' N ' ' A' ' 58' ' ' MET . 62.9 p-90 -104.8 150.44 24.79 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.09 -0.959 . . . . 0.43 109.785 176.175 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.496 ' HB3' ' HB2' ' A' ' 76' ' ' GLU . . . -100.15 142.02 32.2 Favored 'General case' 0 C--N 1.314 -0.943 0 N-CA-C 109.776 -0.453 . . . . 0.55 109.776 174.34 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.76 HD11 HD23 ' A' ' 94' ' ' LEU . 1.8 tt -64.46 117.22 7.0 Favored 'General case' 0 C--N 1.315 -0.907 0 N-CA-C 109.39 -0.596 . . . . 1.71 109.39 172.148 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 96.43 19.8 26.76 Favored Glycine 0 N--CA 1.451 -0.362 0 CA-C-N 115.884 -0.598 . . . . 0.59 112.15 -170.17 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.496 ' HB2' ' HB3' ' A' ' 73' ' ' ALA . 10.5 tp10 -107.44 154.02 21.96 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-O 120.981 0.419 . . . . 2.37 110.771 179.489 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.464 ' HA ' ' O ' ' A' ' 90' ' ' ILE . 43.1 tt0 -128.38 108.63 10.73 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.33 -0.85 . . . . 1.4 108.853 177.715 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 53.9 p90 -131.09 159.39 37.74 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.511 -0.313 . . . . 0.57 110.45 -174.239 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 24.2 tt0 -90.44 152.09 21.12 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.429 -0.582 . . . . 1.95 109.429 176.281 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.444 ' O ' ' HA ' ' A' ' 87' ' ' GLN . 10.0 t0 -159.57 174.08 15.15 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.098 -0.705 . . . . 1.26 109.098 -173.836 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.483 ' HB3' ' NE2' ' A' ' 87' ' ' GLN . 9.9 pt-20 -115.7 104.22 11.46 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.859 0.838 . . . . 2.13 109.223 176.44 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.403 ' HA ' HG21 ' A' ' 67' ' ' THR . . . -87.26 179.06 6.69 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 114.399 -1.273 . . . . 0.95 113.069 -167.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.583 HD22 ' H ' ' A' ' 83' ' ' LEU . 2.8 mm? -56.45 -29.81 62.13 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 121.17 0.51 . . . . 1.34 110.249 -179.726 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -76.46 10.68 1.94 Allowed 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.128 -0.942 . . . . 1.55 112.498 -174.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 24.9 m 74.57 0.76 3.66 Favored 'General case' 0 N--CA 1.467 0.407 0 N-CA-C 113.486 0.921 . . . . 1.21 113.486 169.312 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 52.5 p -120.33 168.99 10.71 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 119.928 -0.709 . . . . 0.93 111.539 177.336 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.483 ' NE2' ' HB3' ' A' ' 81' ' ' GLU . 0.2 OUTLIER -98.79 127.95 44.87 Favored 'General case' 0 CA--C 1.511 -0.543 0 N-CA-C 108.564 -0.902 . . . . 1.88 108.564 -178.485 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . 0.607 ' CB ' ' HA ' ' A' ' 106' ' ' LYS . 12.6 p80 -154.59 170.68 20.92 Favored 'General case' 0 C--N 1.32 -0.696 0 C-N-CA 120.713 -0.395 . . . . 1.04 111.641 177.173 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.525 ' CG ' ' HB ' ' A' ' 105' ' ' ILE . 6.1 ptpp? -77.62 150.9 34.57 Favored 'General case' 0 N--CA 1.45 -0.425 0 CA-C-N 115.637 -0.711 . . . . 1.49 110.327 -176.673 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.464 ' O ' ' HA ' ' A' ' 77' ' ' GLU . 61.7 mt -142.77 137.56 27.67 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.804 0 CA-C-N 115.442 -0.799 . . . . 0.54 110.367 -176.829 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.448 ' HA ' ' O ' ' A' ' 76' ' ' GLU . 72.8 m -128.5 140.22 51.92 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.785 0.326 . . . . 0.43 111.256 179.818 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.463 ' HZ ' ' CD2' ' A' ' 69' ' ' HIS . 48.5 m-85 -113.12 137.98 50.63 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.059 -0.719 . . . . 0.6 109.059 175.861 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -158.56 146.2 18.0 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.915 0.388 . . . . 1.69 111.321 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.76 HD23 HD11 ' A' ' 74' ' ' LEU . 0.8 OUTLIER -94.51 117.29 29.9 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.141 -0.688 . . . . 1.12 109.141 175.687 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 23.4 ttmm -91.02 -58.52 2.44 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 108.993 -0.743 . . . . 3.03 108.993 -177.016 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.45 ' C ' ' H ' ' A' ' 98' ' ' ASN . 12.6 m-20 -107.56 165.55 12.6 Favored Pre-proline 0 C--N 1.319 -0.724 0 N-CA-C 107.55 -1.278 . . . . 1.79 107.55 172.659 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 16.8 Cg_exo -68.63 14.02 0.2 Allowed 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.935 2.423 . . . . 0.98 112.727 -177.192 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . 0.45 ' H ' ' C ' ' A' ' 96' ' ' ASP . 27.8 p-10 -159.21 26.99 0.2 Allowed 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.931 -0.577 . . . . 2.32 109.624 178.25 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.415 ' HB ' ' H ' ' A' ' 96' ' ' ASP . 58.5 m -139.39 110.36 6.83 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 115.658 -0.701 . . . . 0.56 111.194 179.506 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.481 ' HB3' ' HB2' ' A' ' 118' ' ' TYR . 14.1 tp -103.83 133.98 47.91 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.763 -0.653 . . . . 1.1 109.79 177.773 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 14.4 p -113.41 132.63 55.55 Favored 'General case' 0 C--N 1.321 -0.645 0 O-C-N 121.777 -0.577 . . . . 0.41 111.316 -179.694 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -115.19 96.61 5.76 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.701 -0.681 . . . . 1.31 109.508 177.548 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . 0.463 ' O ' ' HA ' ' A' ' 90' ' ' ILE . 26.8 m -89.03 117.89 28.36 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.833 -0.622 . . . . 0.51 110.691 -174.217 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' HIS . . . . . 0.54 ' HB3' ' CE1' ' A' ' 88' ' ' HIS . 10.6 m170 -102.05 92.16 4.65 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.297 -0.411 . . . . 1.69 110.335 -179.832 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.525 ' HB ' ' CG ' ' A' ' 89' ' ' LYS . 15.9 mt -90.4 111.92 24.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-O 121.422 0.629 . . . . 0.75 110.725 177.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.607 ' HA ' ' CB ' ' A' ' 88' ' ' HIS . 98.6 mttt -61.08 118.11 6.37 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.075 -0.966 . . . . 1.61 111.504 178.598 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.411 HG13 ' HA ' ' A' ' 88' ' ' HIS . 29.5 m -65.65 -23.88 33.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 114.959 -1.018 . . . . 1.32 111.006 179.657 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -82.42 -37.13 25.93 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 116.341 -0.39 . . . . 2.5 110.452 -179.575 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . 0.43 ' O ' ' HB2' ' A' ' 106' ' ' LYS . 15.0 t70 -152.82 100.36 2.73 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.392 0.615 . . . . 2.39 110.275 177.016 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . 0.401 ' HD2' ' HA ' ' A' ' 109' ' ' ASP . 63.3 Cg_endo -74.01 9.5 1.68 Allowed 'Trans proline' 0 CA--C 1.531 0.344 0 C-N-CA 123.281 2.654 . . . . 0.9 113.969 -177.623 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 63.7 p -110.85 14.83 22.1 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.695 0.76 . . . . 1.47 110.492 176.368 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -130.5 27.6 5.0 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 122.085 0.945 . . . . 1.59 109.099 175.444 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.494 ' CG1' ' HA ' ' A' ' 105' ' ' ILE . 16.9 m -72.52 178.8 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 114.909 -1.041 . . . . 1.6 111.568 -175.64 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.456 ' HB2' ' NH1' ' A' ' 26' ' ' ARG . 8.4 tp10 -162.1 153.02 17.71 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.244 -0.435 . . . . 2.78 110.166 176.582 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 86.7 m -131.17 130.24 42.77 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.265 0.555 . . . . 0.53 110.867 -176.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' TYR . . . . . 0.438 ' HB3' ' CE ' ' A' ' 127' ' ' MET . 9.7 m-30 -95.08 144.69 25.53 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 107.518 -1.29 . . . . 0.96 107.518 174.513 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . 0.546 ' O ' ' HA ' ' A' ' 127' ' ' MET . 37.4 tt0 -129.36 120.02 24.87 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 118.964 0.802 . . . . 1.27 109.268 -175.608 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . 0.481 ' HB2' ' HB3' ' A' ' 100' ' ' LEU . 78.2 m-85 -96.81 108.37 21.03 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.135 -0.484 . . . . 0.6 110.632 -175.546 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 22.7 ttt180 -120.39 152.17 38.27 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.101 -0.499 . . . . 3.41 109.841 178.301 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . 0.49 ' NH2' ' HA ' ' A' ' 123' ' ' ASP . 14.9 mmm180 -98.3 138.95 34.81 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 120.884 0.373 . . . . 1.96 111.259 -179.294 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -130.4 88.97 2.71 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.015 -0.539 . . . . 1.08 109.583 176.749 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 68.25 -95.5 0.36 Allowed Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 120.949 -0.643 . . . . 0.92 111.611 -176.226 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . 0.49 ' HA ' ' NH2' ' A' ' 120' ' ' ARG . 6.2 p-10 -118.71 -2.09 11.0 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.987 0.422 . . . . 2.31 110.667 177.607 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 24.1 m-85 -96.55 143.83 27.18 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.089 -0.505 . . . . 0.67 110.857 -178.707 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -93.59 118.44 31.37 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 107.753 -1.202 . . . . 1.03 107.753 172.514 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 59.6 t -117.2 129.3 73.96 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.819 0 CA-C-O 121.152 0.501 . . . . 0.47 109.833 -173.406 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' MET . . . . . 0.569 ' HB3' ' HB3' ' A' ' 138' ' ' ARG . 23.3 ttm -103.49 138.82 39.68 Favored 'General case' 0 C--N 1.311 -1.068 0 CA-C-N 115.77 -0.65 . . . . 1.08 110.829 -178.858 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . 0.41 ' HB2' ' HB3' ' A' ' 117' ' ' GLU . 23.8 mmtp -108.5 129.82 55.28 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.543 -0.753 . . . . 2.2 109.431 175.003 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 67.3 mtp -131.91 127.43 36.41 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 107.874 -1.158 . . . . 1.11 107.874 175.666 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . 0.496 ' HA ' ' O ' ' A' ' 134' ' ' VAL . 7.2 p -139.9 129.98 25.0 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.044 0.45 . . . . 1.06 112.169 -172.199 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 131' ' ' TRP . . . . . 0.449 ' CG ' ' HD2' ' A' ' 26' ' ' ARG . 30.1 t-105 -146.03 131.03 18.23 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.455 -0.793 . . . . 0.76 110.084 178.624 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 59.0 mttp 51.24 43.75 29.13 Favored 'General case' 0 C--N 1.327 -0.371 0 O-C-N 123.677 0.61 . . . . 1.96 111.634 -179.259 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 80.73 -6.23 62.51 Favored Glycine 0 N--CA 1.451 -0.338 0 CA-C-N 115.633 -0.712 . . . . 0.53 113.289 177.609 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . 0.496 ' O ' ' HA ' ' A' ' 130' ' ' SER . 4.3 t -93.54 105.6 17.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.97 0.385 . . . . 0.43 110.479 -179.249 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -99.66 132.07 45.24 Favored 'General case' 0 N--CA 1.438 -1.063 0 CA-C-O 121.171 0.51 . . . . 1.14 110.397 176.801 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 6.1 t -120.43 140.25 51.65 Favored 'General case' 0 C--N 1.31 -1.131 0 CA-C-N 115.537 -0.756 . . . . 0.4 109.571 177.677 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 15.2 m -106.13 117.15 33.3 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.018 0.437 . . . . 0.79 110.233 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 138' ' ' ARG . . . . . 0.569 ' HB3' ' HB3' ' A' ' 127' ' ' MET . 5.4 tpt180 -97.79 108.22 20.88 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 108.588 -0.893 . . . . 1.84 108.588 179.183 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 92.5 m-85 -91.58 112.9 25.0 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.859 0.362 . . . . 0.64 111.747 -171.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 140' ' ' TYR . . . . . 0.447 ' CE1' HD12 ' A' ' 13' ' ' LEU . 95.3 m-85 -107.83 147.01 31.48 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.824 -0.626 . . . . 0.6 110.942 177.518 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 141' ' ' LYS . . . . . 0.503 ' HG3' ' O ' ' A' ' 142' ' ' LYS . 17.5 ptpt -127.95 166.43 18.35 Favored 'General case' 0 C--N 1.31 -1.149 0 N-CA-C 107.194 -1.41 . . . . 1.92 107.194 173.676 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 142' ' ' LYS . . . . . 0.599 ' O ' ' HG2' ' A' ' 12' ' ' LYS . 31.1 mtpp -54.5 165.84 0.52 Allowed 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 119.304 0.956 . . . . 2.13 111.262 173.164 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . 0.684 ' NE2' ' HB3' ' A' ' 12' ' ' LYS . 26.5 mm-40 . . . . . 0 C--O 1.245 0.865 0 O-C-N 121.537 -0.727 . . . . 1.46 110.399 165.117 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 2.8 m . . . . . 0 N--CA 1.45 -0.441 0 CA-C-O 120.886 0.374 . . . . 0.99 110.916 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.491 ' HB2' ' CE1' ' A' ' 56' ' ' TYR . 0.5 OUTLIER -64.36 120.95 69.4 Favored Pre-proline 0 C--N 1.327 -0.401 0 CA-C-N 115.632 -0.713 . . . . 0.59 110.422 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 41.4 Cg_exo -56.49 125.55 19.41 Favored 'Trans proline' 0 N--CA 1.459 -0.522 0 C-N-CA 122.342 2.028 . . . . 0.61 110.432 172.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . 0.531 ' HA ' HD12 ' A' ' 8' ' ' LEU . 4.2 p-10 -57.45 -20.48 30.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.108 -0.496 . . . . 2.19 111.62 -175.393 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 70.7 tttt -64.21 -15.91 60.93 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.39 -0.368 . . . . 2.53 111.555 179.108 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 31.7 m-85 -97.51 -1.55 43.81 Favored 'General case' 0 C--N 1.333 -0.129 0 O-C-N 122.053 -0.404 . . . . 0.6 110.53 176.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.531 HD12 ' HA ' ' A' ' 5' ' ' ASP . 83.1 mt -100.1 150.54 22.38 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.121 0.486 . . . . 0.46 111.083 -174.314 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 133.55 -179.1 17.74 Favored Glycine 0 N--CA 1.446 -0.64 0 CA-C-N 115.467 -0.788 . . . . 0.52 111.997 -178.676 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 56.4 m -110.78 126.82 55.02 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.856 -0.424 . . . . 1.05 109.856 176.666 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 45.1 m-85 -126.91 133.63 50.63 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.429 -0.351 . . . . 0.47 111.127 -175.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.512 ' HD2' ' NE2' ' A' ' 143' ' ' GLN . 21.0 ptmt -93.9 138.4 32.08 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 120.686 -0.405 . . . . 2.19 110.442 172.597 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.472 HD11 ' CZ ' ' A' ' 138' ' ' ARG . 5.4 tt -55.19 121.48 8.91 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.57 -0.286 . . . . 1.14 110.471 175.008 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -94.64 -52.82 4.13 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.315 -0.402 . . . . 2.08 110.376 179.126 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 14.3 ptm180 -163.62 -169.52 1.95 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.275 -0.42 . . . . 3.36 110.037 -177.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -147.18 -174.37 4.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.839 0.352 . . . . 1.19 111.125 -177.384 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -162.6 109.49 1.26 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.779 -0.646 . . . . 2.66 110.085 -179.616 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 3.1 t30 69.27 24.44 5.94 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-O 121.742 0.782 . . . . 0.76 110.711 176.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 76.9 t80 -73.58 -41.41 62.93 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.428 -0.806 . . . . 0.49 111.335 -174.363 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.547 ' OD1' ' HE3' ' A' ' 24' ' ' LYS . 27.9 t70 -57.3 -48.65 78.37 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.92 0.391 . . . . 2.04 110.775 179.256 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -60.32 -35.39 75.52 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.12 -0.491 . . . . 1.79 111.533 178.519 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 82.7 t80 -60.75 -40.2 91.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.871 0.367 . . . . 0.57 110.644 174.39 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.427 HD13 ' HA ' ' A' ' 33' ' ' ARG . 96.1 mt -63.89 -38.42 91.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.37 110.621 -178.245 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.547 ' HE3' ' OD1' ' A' ' 20' ' ' ASP . 96.9 mttt -61.95 -47.93 82.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.866 -0.606 . . . . 1.88 110.154 178.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.93 -36.08 76.26 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.43 -0.805 . . . . 0.44 111.098 179.13 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 19.0 mmm180 -74.9 -11.01 60.03 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.924 -0.58 . . . . 1.29 111.668 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 99.98 11.97 41.37 Favored Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 120.489 -0.863 . . . . 0.62 112.943 176.179 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 94.8 m-85 -84.91 122.04 28.61 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.891 0.377 . . . . 0.64 110.175 177.32 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -78.02 -176.31 45.9 Favored Glycine 0 N--CA 1.445 -0.703 0 CA-C-N 115.664 -0.698 . . . . 1.54 112.014 177.33 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.526 ' O ' ' HG2' ' A' ' 34' ' ' GLN . 42.8 t90 -51.04 -43.48 60.94 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 122.286 0.234 . . . . 1.18 111.625 -178.836 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.819 ' H ' HD12 ' A' ' 31' ' ' ILE . 3.6 mp -56.73 -59.28 3.19 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.774 0 CA-C-O 121.402 0.62 . . . . 2.16 110.004 -175.484 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.706 ' O ' HG12 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -62.89 -40.76 98.54 Favored 'General case' 0 N--CA 1.427 -1.591 0 CA-C-N 115.112 -0.949 . . . . 0.97 110.918 -177.751 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.427 ' HA ' HD13 ' A' ' 23' ' ' LEU . 46.9 mtm105 -57.31 -30.09 64.47 Favored 'General case' 0 C--N 1.33 -0.243 0 O-C-N 123.201 0.313 . . . . 1.87 110.972 178.844 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.526 ' HG2' ' O ' ' A' ' 30' ' ' TRP . 29.4 mm-40 -66.64 -46.8 74.6 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.303 -0.629 . . . . 1.97 109.303 174.605 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 67.3 t -64.68 -58.6 6.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.162 -0.472 . . . . 0.68 111.11 -177.607 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.706 HG12 ' O ' ' A' ' 32' ' ' MET . 2.3 mm -47.68 -48.25 10.96 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.406 0 CA-C-N 116.017 -0.538 . . . . 0.51 111.975 -177.096 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.422 ' HE2' ' O ' ' A' ' 33' ' ' ARG . 52.3 mtmt -77.28 -32.17 55.3 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.224 -0.444 . . . . 0.97 111.68 -174.593 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 14.8 mt -102.6 32.39 3.64 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.838 0.352 . . . . 2.08 110.991 -176.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.481 ' O ' HG21 ' A' ' 63' ' ' THR . . . -90.75 -85.08 0.23 Allowed 'General case' 0 N--CA 1.447 -0.618 0 CA-C-O 121.119 0.485 . . . . 1.03 111.031 -178.647 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.473 ' O ' ' HA ' ' A' ' 62' ' ' THR . . . 118.8 115.25 2.62 Favored Glycine 0 C--N 1.308 -0.99 0 N-CA-C 110.66 -0.976 . . . . 0.84 110.66 -167.524 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.983 ' HB ' HG22 ' A' ' 62' ' ' THR . 0.5 OUTLIER -145.07 136.91 20.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-O 121.482 0.658 . . . . 1.3 111.752 -175.755 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 29.3 m -115.23 125.38 53.29 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 114.826 -1.079 . . . . 0.45 110.301 178.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.507 ' HE3' ' SD ' ' A' ' 127' ' ' MET . 74.0 mmtt -88.79 134.31 33.97 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.567 -0.288 . . . . 0.79 110.393 178.583 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.483 ' HB2' ' HB2' ' A' ' 59' ' ' GLU . 51.2 mtpt -129.63 117.06 19.78 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 110.206 -0.294 . . . . 1.96 110.206 177.491 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.467 ' HB3' HD23 ' A' ' 8' ' ' LEU . 74.3 m-85 -118.83 130.19 55.63 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.424 -0.584 . . . . 0.54 109.424 174.68 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 11.2 ptp180 -161.17 167.5 26.01 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.22 0.533 . . . . 3.17 111.612 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.488 ' HA ' ' CD2' ' A' ' 56' ' ' TYR . 7.4 p30 -66.18 146.18 54.94 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 108.145 -1.058 . . . . 1.85 108.145 170.361 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -47.57 117.22 1.72 Allowed 'General case' 0 CA--C 1.519 -0.246 0 CA-C-O 121.075 0.464 . . . . 0.87 111.74 -172.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -46.64 -38.33 9.52 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 114.234 -1.348 . . . . 1.48 113.515 -175.545 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 49.4 m -73.8 14.13 0.42 Allowed 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.671 0.619 . . . . 2.37 112.671 -179.483 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 71.44 22.16 78.61 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.827 -0.702 . . . . 1.91 112.769 178.071 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.415 ' HD2' ' HD2' ' A' ' 53' ' ' PRO . 54.9 tptt -82.89 119.38 74.25 Favored Pre-proline 0 N--CA 1.447 -0.605 0 N-CA-C 109.647 -0.501 . . . . 3.17 109.647 178.297 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.491 ' O ' ' HB3' ' A' ' 54' ' ' ASP . 60.9 Cg_endo -72.68 147.71 45.69 Favored 'Trans proline' 0 C--O 1.238 0.496 0 C-N-CA 122.452 2.101 . . . . 1.84 112.317 -178.666 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.491 ' HB3' ' O ' ' A' ' 53' ' ' PRO . 27.5 t70 82.38 -52.02 0.21 Allowed 'General case' 0 N--CA 1.464 0.27 0 O-C-N 124.306 1.004 . . . . 2.44 109.529 178.47 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 9.8 mpt_? -64.13 141.8 58.64 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.378 -0.828 . . . . 4.1 112.261 173.13 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.491 ' CE1' ' HB2' ' A' ' 3' ' ' LEU . 90.5 m-85 -120.41 169.45 10.3 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.096 -0.956 . . . . 0.97 109.257 174.529 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.425 ' HB2' ' HA ' ' A' ' 70' ' ' LYS . 1.4 p-10 -136.04 151.04 49.46 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.368 -0.604 . . . . 1.1 109.368 171.559 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.446 ' HA ' ' O ' ' A' ' 44' ' ' LYS . 1.9 tmt? -143.08 138.41 29.88 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.901 -0.59 . . . . 0.98 110.01 -171.205 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.483 ' HB2' ' HB2' ' A' ' 44' ' ' LYS . 41.9 mt-10 -127.9 151.1 49.49 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.566 0.698 . . . . 1.11 112.812 -175.741 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.475 ' HB2' ' OG1' ' A' ' 67' ' ' THR . 36.9 m-80 -126.49 85.42 2.38 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 114.311 -1.313 . . . . 1.17 108.896 174.479 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 57.8 mt -84.11 108.77 17.22 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 116.127 -0.488 . . . . 1.67 110.516 -178.603 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.983 HG22 ' HB ' ' A' ' 41' ' ' VAL . 23.6 p -121.39 -179.22 4.0 Favored 'General case' 0 N--CA 1.445 -0.71 0 CA-C-N 116.248 -0.433 . . . . 0.45 109.869 -176.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.481 HG21 ' O ' ' A' ' 39' ' ' ALA . 26.9 p -86.1 -26.06 25.47 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-N 116.234 -0.439 . . . . 0.54 111.307 -177.621 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 32.2 mmmt -103.81 -17.85 14.89 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.275 -0.421 . . . . 2.24 110.842 -177.072 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.46 ' HA ' ' HE3' ' A' ' 65' ' ' LYS . 0.0 OUTLIER -137.28 -155.22 0.59 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.058 0.456 . . . . 1.82 111.123 -176.821 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.425 ' H ' ' HB3' ' A' ' 65' ' ' LYS . 6.3 p-10 166.4 98.76 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 114.604 -1.18 . . . . 2.12 108.56 -172.123 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.475 ' OG1' ' HB2' ' A' ' 60' ' ' ASN . 45.7 p -120.65 145.92 46.93 Favored 'General case' 0 C--N 1.307 -1.26 0 CA-C-N 115.39 -0.823 . . . . 0.56 110.142 -177.043 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 8.3 t-160 -140.73 91.98 2.47 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-N 115.858 -0.61 . . . . 1.95 109.925 -175.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 7.7 m-70 -68.05 87.33 0.26 Allowed 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 108.397 -0.964 . . . . 0.39 108.397 174.564 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.462 ' H ' ' HG2' ' A' ' 70' ' ' LYS . 12.0 ptpt -92.75 125.92 37.59 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 112.347 0.499 . . . . 2.3 112.347 -173.374 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 17.4 t70 64.77 68.48 0.52 Allowed 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 114.977 -1.01 . . . . 2.07 110.94 173.725 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 70.3 p-90 -119.86 152.65 37.01 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.893 -0.594 . . . . 0.43 110.204 176.606 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.41 ' HB3' ' HG3' ' A' ' 76' ' ' GLU . . . -115.95 138.09 51.51 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-O 120.78 0.324 . . . . 0.55 110.319 178.732 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.571 HD11 HD13 ' A' ' 94' ' ' LEU . 4.6 tt -56.68 129.6 41.81 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.111 -0.495 . . . . 1.71 110.081 175.536 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.482 ' N ' HD23 ' A' ' 74' ' ' LEU . . . 89.4 -0.64 81.11 Favored Glycine 0 N--CA 1.45 -0.421 0 CA-C-N 115.789 -0.641 . . . . 0.59 112.37 -176.608 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.41 ' HG3' ' HB3' ' A' ' 73' ' ' ALA . 51.9 mm-40 -112.42 170.28 8.28 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.328 0.585 . . . . 2.37 110.979 -176.523 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -131.78 131.93 43.35 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.295 -0.866 . . . . 1.4 109.033 -176.222 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 34.9 p90 -136.38 159.6 41.27 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-O 120.612 0.244 . . . . 0.57 110.431 -177.084 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 70.5 mt-30 -91.16 145.59 24.55 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.702 -0.481 . . . . 1.95 109.702 172.695 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.51 ' HB3' HD12 ' A' ' 90' ' ' ILE . 7.8 t70 -167.59 165.19 14.62 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 115.682 -0.69 . . . . 1.26 109.686 -174.356 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.469 ' HA ' ' HA ' ' A' ' 87' ' ' GLN . 35.2 tt0 -98.96 118.89 36.76 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.188 -0.671 . . . . 2.13 109.188 179.73 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.481 ' HB3' ' OD1' ' A' ' 84' ' ' ASP . . . -96.1 178.46 5.4 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.528 -0.76 . . . . 0.95 112.348 -173.359 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.455 HD13 HG23 ' A' ' 67' ' ' THR . 3.1 mm? -63.39 -16.64 61.1 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.338 -0.392 . . . . 1.34 111.227 -177.804 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.481 ' OD1' ' HB3' ' A' ' 82' ' ' ALA . 6.8 p-10 -80.25 14.82 1.77 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.352 -0.385 . . . . 1.55 110.996 177.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 53.3 m 75.5 -32.03 0.21 Allowed 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 124.153 0.981 . . . . 1.21 112.712 169.47 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 11.9 p -90.83 165.69 13.49 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 120.827 0.346 . . . . 0.93 110.176 174.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.469 ' HA ' ' HA ' ' A' ' 81' ' ' GLU . 3.9 pt20 -109.69 152.69 25.28 Favored 'General case' 0 CA--C 1.503 -0.836 0 C-N-CA 120.496 -0.482 . . . . 1.88 109.973 -179.774 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . 0.696 ' HB2' ' O ' ' A' ' 105' ' ' ILE . 4.3 p80 -169.05 -172.52 1.56 Allowed 'General case' 0 C--N 1.313 -0.978 0 CA-C-N 115.615 -0.72 . . . . 1.04 111.232 -176.526 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 18.9 ptmt -78.32 142.3 37.83 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-O 120.993 0.425 . . . . 1.49 110.378 -177.135 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.51 HD12 ' HB3' ' A' ' 80' ' ' ASP . 65.4 mt -141.15 124.56 16.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 115.36 -0.836 . . . . 0.54 110.373 -179.356 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 6.1 m -107.94 133.78 51.79 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-O 120.965 0.412 . . . . 0.43 110.49 177.114 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -116.07 130.03 56.62 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.045 -0.724 . . . . 0.6 109.045 175.532 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -170.44 173.66 5.51 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 109.153 -0.684 . . . . 1.69 109.153 -176.769 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.571 HD13 HD11 ' A' ' 74' ' ' LEU . 2.9 mp -109.86 132.22 54.35 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.289 0.566 . . . . 1.12 111.185 -177.356 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 4.7 tmmm? -87.42 -39.67 15.05 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.086 -0.961 . . . . 3.03 108.56 179.035 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -145.81 161.62 39.48 Favored Pre-proline 0 C--N 1.323 -0.577 0 N-CA-C 107.714 -1.217 . . . . 1.79 107.714 172.589 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_exo -62.64 8.33 0.12 Allowed 'Trans proline' 0 N--CA 1.481 0.778 0 C-N-CA 123.581 2.854 . . . . 0.98 114.258 -174.57 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 20.1 t-20 -126.77 -10.57 6.11 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.555 0.217 . . . . 2.32 110.679 179.52 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 16.1 m -129.29 113.33 14.87 Favored 'General case' 0 C--O 1.236 0.389 0 N-CA-C 112.647 0.61 . . . . 0.56 112.647 -174.474 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.466 ' HB3' ' HB2' ' A' ' 118' ' ' TYR . 0.7 OUTLIER -77.61 148.54 35.07 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 107.672 -1.233 . . . . 1.1 107.672 169.002 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.529 HG22 ' HG2' ' A' ' 117' ' ' GLU . 17.0 p -129.15 135.7 49.21 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 118.689 0.677 . . . . 0.41 111.431 176.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 75.5 tt0 -117.25 109.05 16.38 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.512 -0.767 . . . . 1.31 109.928 176.61 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 43.0 m -106.9 119.75 40.2 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.892 -0.41 . . . . 0.51 109.892 179.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' HIS . . . . . 0.521 ' HB2' ' CE1' ' A' ' 88' ' ' HIS . 25.4 p80 -119.64 128.3 53.72 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 120.35 -0.54 . . . . 1.69 111.059 179.153 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.696 ' O ' ' HB2' ' A' ' 88' ' ' HIS . 53.0 mt -129.84 132.99 65.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.404 -0.817 . . . . 0.75 109.973 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.584 ' HA ' ' CB ' ' A' ' 88' ' ' HIS . 46.5 mttp -63.39 119.82 10.44 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.282 0.563 . . . . 1.61 112.314 -179.707 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.659 HG13 ' HA ' ' A' ' 88' ' ' HIS . 29.9 m -59.93 -29.94 44.34 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.232 0 CA-C-N 114.893 -1.049 . . . . 1.32 110.71 176.148 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -75.12 -60.31 2.35 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.217 -0.901 . . . . 2.5 110.284 179.517 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . 0.42 ' C ' ' H ' ' A' ' 111' ' ' THR . 3.3 m-20 -133.37 99.64 14.42 Favored Pre-proline 0 C--N 1.319 -0.739 0 CA-C-N 115.34 -0.846 . . . . 2.39 109.999 179.549 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . 0.414 ' HD2' ' HA ' ' A' ' 109' ' ' ASP . 55.6 Cg_endo -67.73 14.55 0.15 Allowed 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 124.011 3.141 . . . . 0.9 113.148 -178.159 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . 0.42 ' H ' ' C ' ' A' ' 109' ' ' ASP . 28.7 p -71.5 -32.38 68.16 Favored 'General case' 0 N--CA 1.443 -0.777 0 N-CA-C 109.232 -0.655 . . . . 1.47 109.232 174.687 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -83.62 103.99 13.38 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 114.986 -1.006 . . . . 1.59 110.397 174.634 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.42 HG22 HG12 ' A' ' 105' ' ' ILE . 24.2 t -124.39 132.24 71.62 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.297 0 N-CA-C 108.966 -0.753 . . . . 1.6 108.966 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.506 ' HB3' ' NE2' ' A' ' 104' ' ' HIS . 40.8 tt0 -152.13 145.35 24.66 Favored 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 120.713 -0.395 . . . . 2.78 110.718 177.198 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 30.8 m -131.54 130.38 42.24 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.051 -0.522 . . . . 0.53 111.261 -178.198 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' TYR . . . . . 0.447 ' HB3' ' CE ' ' A' ' 127' ' ' MET . 20.2 m-85 -104.3 154.42 19.83 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 107.54 -1.281 . . . . 0.96 107.54 172.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . 0.529 ' HG2' HG22 ' A' ' 101' ' ' THR . 31.7 mt-10 -132.79 129.25 38.32 Favored 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 108.642 -0.873 . . . . 1.27 108.642 179.41 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . 0.475 ' HD1' HD11 ' A' ' 125' ' ' LEU . 76.1 m-85 -109.98 98.65 7.9 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.772 0.32 . . . . 0.6 111.0 -176.643 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 2.6 ptp180 -117.37 167.35 11.33 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.067 0.46 . . . . 3.41 111.303 179.448 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 11.8 mmm180 -121.96 119.36 31.28 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.117 -0.492 . . . . 1.96 110.669 179.746 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -101.95 -11.28 19.09 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.638 0.732 . . . . 1.08 109.521 175.331 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -179.85 -131.3 1.61 Allowed Glycine 0 N--CA 1.447 -0.579 0 CA-C-N 115.141 -0.936 . . . . 0.92 111.062 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -88.24 24.24 1.93 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.057 0.456 . . . . 2.31 110.96 178.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 82.7 m-85 -128.92 138.16 51.84 Favored 'General case' 0 N--CA 1.444 -0.754 0 N-CA-C 109.234 -0.654 . . . . 0.67 109.234 -179.156 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.475 HD11 ' HD1' ' A' ' 118' ' ' TYR . 2.2 tm? -76.33 102.38 5.88 Favored 'General case' 0 N--CA 1.436 -1.166 0 N-CA-C 107.088 -1.449 . . . . 1.03 107.088 171.766 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 19.1 t -94.85 103.98 15.3 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.866 0 N-CA-C 108.545 -0.909 . . . . 0.47 108.545 -173.471 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' MET . . . . . 0.507 ' SD ' ' HE3' ' A' ' 43' ' ' LYS . 28.1 ttt -95.43 140.85 29.71 Favored 'General case' 0 C--N 1.302 -1.487 0 CA-C-N 114.521 -1.218 . . . . 1.08 109.771 -172.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . 0.454 ' HB3' ' HB2' ' A' ' 117' ' ' GLU . 47.4 tttm -125.95 136.87 53.51 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-O 120.931 0.396 . . . . 2.2 110.062 -176.345 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' MET . . . . . 0.451 ' HB2' ' CG2' ' A' ' 136' ' ' THR . 44.8 mtp -137.27 130.74 31.31 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 108.496 -0.927 . . . . 1.11 108.496 179.681 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 8.1 p -141.92 132.26 25.05 Favored 'General case' 0 C--N 1.323 -0.586 0 C-N-CA 120.518 -0.473 . . . . 1.06 111.983 -177.185 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 131' ' ' TRP . . . . . . . . . . . . . 56.8 t-105 -147.51 132.88 18.54 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.51 -0.768 . . . . 0.76 110.109 177.334 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 68.1 mttm 54.11 37.48 27.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.685 -0.689 . . . . 1.96 111.604 -178.072 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 85.47 -27.96 4.99 Favored Glycine 0 N--CA 1.451 -0.323 0 CA-C-N 115.999 -0.546 . . . . 0.53 113.094 -179.608 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 16.4 t -76.77 108.43 9.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 120.927 0.394 . . . . 0.43 110.034 -178.083 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 32.1 t -109.13 159.5 16.84 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.788 0.804 . . . . 1.14 110.81 -179.702 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 136' ' ' THR . . . . . 0.451 ' CG2' ' HB2' ' A' ' 129' ' ' MET . 4.7 t -142.06 141.62 32.78 Favored 'General case' 0 C--N 1.307 -1.269 0 CA-C-N 114.275 -1.33 . . . . 0.4 110.758 -179.355 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -102.67 101.29 11.4 Favored 'General case' 0 N--CA 1.446 -0.631 0 N-CA-C 109.159 -0.682 . . . . 0.79 109.159 174.817 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 138' ' ' ARG . . . . . 0.494 ' HB3' ' HB3' ' A' ' 127' ' ' MET . 16.2 tpt180 -85.56 103.12 14.12 Favored 'General case' 0 C--N 1.317 -0.845 0 N-CA-C 108.749 -0.834 . . . . 1.84 108.749 -178.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 -85.63 110.2 19.1 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.113 0.482 . . . . 0.64 111.902 -171.704 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 86.2 m-85 -106.18 127.79 53.46 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.727 -0.67 . . . . 0.6 109.963 173.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 141' ' ' LYS . . . . . 0.5 ' HD3' ' O ' ' A' ' 142' ' ' LYS . 0.0 OUTLIER -108.51 158.7 17.31 Favored 'General case' 0 C--O 1.21 -1.004 0 N-CA-C 108.062 -1.088 . . . . 1.92 108.062 178.619 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 142' ' ' LYS . . . . . 0.5 ' O ' ' HD3' ' A' ' 141' ' ' LYS . 78.3 tttt -47.41 162.29 0.07 Allowed 'General case' 0 CA--C 1.546 0.8 0 CA-C-O 121.896 0.855 . . . . 2.13 113.075 -178.443 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . 0.512 ' NE2' ' HD2' ' A' ' 12' ' ' LYS . 3.6 mm-40 . . . . . 0 C--O 1.246 0.889 0 O-C-N 121.328 -0.857 . . . . 1.46 110.263 159.042 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 19.3 m . . . . . 0 C--O 1.233 0.186 0 N-CA-C 110.039 -0.356 . . . . 0.99 110.039 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.589 HD23 ' HD2' ' A' ' 4' ' ' PRO . 0.2 OUTLIER -60.32 117.32 23.16 Favored Pre-proline 0 C--O 1.234 0.244 0 O-C-N 123.331 0.395 . . . . 0.59 111.067 -174.065 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . 0.589 ' HD2' HD23 ' A' ' 3' ' ' LEU . 44.8 Cg_exo -56.99 122.2 11.42 Favored 'Trans proline' 0 N--CA 1.461 -0.434 0 C-N-CA 122.922 2.414 . . . . 0.61 111.291 174.159 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -55.05 -24.36 24.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.616 -0.72 . . . . 2.19 111.663 -177.335 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.15 -14.73 26.85 Favored 'General case' 0 CA--C 1.534 0.361 0 N-CA-C 112.53 0.567 . . . . 2.53 112.53 178.442 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.454 ' HZ ' ' C ' ' A' ' 98' ' ' ASN . 24.0 m-85 -96.91 -3.46 41.84 Favored 'General case' 0 C--N 1.33 -0.268 0 O-C-N 121.932 -0.48 . . . . 0.6 111.222 179.014 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.551 HD23 ' HB3' ' A' ' 45' ' ' PHE . 97.2 mt -92.86 149.84 21.0 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.285 0.564 . . . . 0.46 111.889 -170.646 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 128.0 170.35 12.81 Favored Glycine 0 N--CA 1.442 -0.919 0 CA-C-N 115.195 -0.911 . . . . 0.52 111.568 -179.137 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.454 HG22 ' HG3' ' A' ' 143' ' ' GLN . 57.0 m -101.24 123.55 45.53 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 109.347 -0.612 . . . . 1.05 109.347 175.578 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.528 ' HA ' ' HA ' ' A' ' 142' ' ' LYS . 55.6 m-85 -116.02 138.08 51.54 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.574 -0.284 . . . . 0.47 111.536 -174.095 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' ' 141' ' ' LYS . 14.6 ptmm? -84.47 -165.97 1.32 Allowed 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 109.266 -0.642 . . . . 2.19 109.266 165.491 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.5 tt -121.71 125.23 46.13 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 107.852 -1.166 . . . . 1.14 107.852 -176.27 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -92.94 -57.62 2.59 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.723 0.297 . . . . 2.08 110.753 179.109 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 23.3 ptt180 -156.41 179.37 9.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.994 0.426 . . . . 3.36 110.97 -176.358 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -138.32 172.31 13.1 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.733 -0.667 . . . . 1.19 110.05 178.691 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -153.64 118.7 5.08 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.496 -0.32 . . . . 2.66 110.979 -177.454 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 5.6 t30 63.31 29.27 15.79 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-O 121.761 0.791 . . . . 0.76 110.775 174.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.463 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 4.6 t80 -80.88 -33.91 33.98 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.451 -0.795 . . . . 0.49 110.513 -176.35 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.51 ' O ' ' HG3' ' A' ' 24' ' ' LYS . 2.1 m-20 -53.08 -57.69 9.55 Favored 'General case' 0 CA--C 1.515 -0.367 0 N-CA-C 109.865 -0.421 . . . . 2.04 109.865 172.372 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.44 ' HA ' ' HD2' ' A' ' 24' ' ' LYS . 8.9 mp0 -51.26 -44.62 61.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.314 -0.857 . . . . 1.79 111.5 178.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.509 ' OH ' ' HG3' ' A' ' 114' ' ' GLU . 78.1 t80 -59.28 -44.56 92.46 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 116.432 -0.349 . . . . 0.57 111.079 177.007 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.463 ' HG ' ' O ' ' A' ' 19' ' ' PHE . 97.2 mt -66.85 -35.58 80.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.964 0.411 . . . . 0.37 110.008 -177.524 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.51 ' HG3' ' O ' ' A' ' 20' ' ' ASP . 94.3 mttt -61.32 -52.61 63.94 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.759 -0.655 . . . . 1.88 109.89 175.697 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.37 -36.77 69.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.169 -0.923 . . . . 0.44 111.208 177.631 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 8.9 mmm180 -67.08 -18.66 65.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.763 -0.653 . . . . 1.29 111.521 179.641 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 106.8 -1.3 36.12 Favored Glycine 0 N--CA 1.447 -0.624 0 C-N-CA 120.485 -0.864 . . . . 0.62 113.17 179.381 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 72.7 m-85 -69.85 112.12 6.06 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.243 0.544 . . . . 0.64 109.824 179.374 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -62.83 -55.65 25.63 Favored Glycine 0 C--N 1.333 0.38 0 CA-C-N 114.617 -1.174 . . . . 1.54 113.868 -172.775 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.408 ' O ' ' HG2' ' A' ' 34' ' ' GLN . 87.6 t90 -167.04 -58.22 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 117.229 0.515 . . . . 1.18 111.36 -179.203 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.413 ' HA ' HD13 ' A' ' 31' ' ' ILE . 1.0 OUTLIER -51.81 -50.71 31.5 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.155 0 O-C-N 123.319 0.387 . . . . 2.16 111.885 -178.024 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 55.4 mmm -59.03 -36.85 75.68 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.115 -0.493 . . . . 0.97 111.539 178.746 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.499 ' NH1' ' HG2' ' A' ' 24' ' ' LYS . 16.6 mtm180 -67.71 -24.63 65.41 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.008 0.432 . . . . 1.87 110.073 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.579 ' O ' HD23 ' A' ' 38' ' ' LEU . 29.8 mm-40 -77.29 -31.17 54.62 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.892 -0.594 . . . . 1.97 110.214 177.353 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.492 ' CG1' ' HG3' ' A' ' 64' ' ' LYS . 94.6 t -84.06 -63.33 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-O 120.806 0.336 . . . . 0.68 111.25 -179.364 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 88.6 mt -41.39 -46.07 0.8 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.486 0 C-N-CA 124.275 1.03 . . . . 0.51 113.656 179.672 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 43.7 mtmt -74.55 -25.85 59.58 Favored 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 112.177 0.436 . . . . 0.97 112.177 -176.642 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.579 HD23 ' O ' ' A' ' 34' ' ' GLN . 4.5 mm? -95.1 7.92 44.62 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.175 0.512 . . . . 2.08 110.754 -174.309 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -85.24 117.27 24.08 Favored 'General case' 0 N--CA 1.444 -0.77 0 CA-C-N 115.747 -0.66 . . . . 1.03 110.114 177.027 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.649 ' O ' ' HA ' ' A' ' 62' ' ' THR . . . -68.4 119.49 10.4 Favored Glycine 0 N--CA 1.445 -0.736 0 N-CA-C 110.649 -0.98 . . . . 0.84 110.649 173.7 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 51.9 t -109.18 120.51 60.64 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.761 0 CA-C-O 121.026 0.441 . . . . 1.3 111.097 -172.786 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.451 ' HB ' ' HB2' ' A' ' 61' ' ' LEU . 90.0 m -104.44 102.57 12.22 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.785 -0.643 . . . . 0.45 109.371 173.539 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 15.0 tppt? -81.06 123.15 28.14 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.895 -0.593 . . . . 0.79 109.804 -178.443 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.489 ' O ' ' HG2' ' A' ' 58' ' ' MET . 89.8 mttt -119.28 122.07 41.05 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 111.899 0.333 . . . . 1.96 111.899 -176.821 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.551 ' HB3' HD23 ' A' ' 8' ' ' LEU . 76.0 m-85 -123.02 137.5 54.93 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.005 -0.739 . . . . 0.54 109.005 168.116 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.545 ' HG3' ' HB3' ' A' ' 57' ' ' ASP . 1.0 OUTLIER -161.4 157.78 25.76 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.955 0.407 . . . . 3.17 111.042 -173.469 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 17.6 m120 -64.81 144.09 57.49 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 108.83 -0.804 . . . . 1.85 108.83 172.043 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.74 141.34 58.8 Favored 'General case' 0 CA--C 1.514 -0.412 0 CA-C-O 121.695 0.759 . . . . 0.87 110.735 -175.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.25 -28.53 68.79 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 114.377 -1.283 . . . . 1.48 111.113 -172.103 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 5.9 m -58.3 -9.14 1.37 Allowed 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 112.759 0.652 . . . . 2.37 112.759 174.58 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 68.52 29.6 72.97 Favored Glycine 0 C--N 1.334 0.419 0 C-N-CA 120.98 -0.629 . . . . 1.91 112.672 179.719 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 30.7 mtpp -106.57 145.08 30.31 Favored Pre-proline 0 C--N 1.324 -0.528 0 CA-C-O 120.801 0.334 . . . . 3.17 110.805 -177.35 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.526 ' O ' ' HB3' ' A' ' 54' ' ' ASP . 74.4 Cg_endo -73.29 147.25 41.65 Favored 'Trans proline' 0 C--O 1.237 0.437 0 C-N-CA 122.915 2.41 . . . . 1.84 111.576 179.608 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.526 ' HB3' ' O ' ' A' ' 53' ' ' PRO . 0.9 OUTLIER 78.52 -41.51 0.3 Allowed 'General case' 0 N--CA 1.467 0.423 0 O-C-N 123.871 0.732 . . . . 2.44 110.491 178.621 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.443 ' HD3' ' HB2' ' A' ' 73' ' ' ALA . 21.8 mmt180 -67.42 127.65 33.5 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-O 121.644 0.735 . . . . 4.1 111.115 171.671 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.48 ' CE1' ' HB2' ' A' ' 3' ' ' LEU . 83.1 m-85 -126.64 174.06 9.0 Favored 'General case' 0 C--N 1.31 -1.117 0 CA-C-N 114.908 -1.042 . . . . 0.97 109.901 175.572 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.659 ' OD2' ' HA ' ' A' ' 70' ' ' LYS . 16.4 t70 -133.68 146.9 51.27 Favored 'General case' 0 C--N 1.315 -0.892 0 N-CA-C 108.801 -0.814 . . . . 1.1 108.801 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.489 ' HG2' ' O ' ' A' ' 44' ' ' LYS . 1.4 tmt? -149.27 136.85 20.25 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 121.037 -0.265 . . . . 0.98 110.734 -173.335 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.457 ' HG2' ' HA ' ' A' ' 68' ' ' HIS . 47.9 mt-10 -135.74 155.16 50.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.503 0.668 . . . . 1.11 112.534 -176.862 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.574 ' HB2' ' OG1' ' A' ' 67' ' ' THR . 83.1 m-20 -127.77 98.06 5.05 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 114.571 -1.195 . . . . 1.17 109.65 176.786 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.451 ' HB2' ' HB ' ' A' ' 42' ' ' THR . 84.0 mt -96.48 132.45 42.03 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 109.964 -0.384 . . . . 1.67 109.964 177.667 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.649 ' HA ' ' O ' ' A' ' 40' ' ' GLY . 44.4 p -135.42 -154.05 0.55 Allowed 'General case' 0 N--CA 1.448 -0.536 0 CA-C-N 116.543 -0.298 . . . . 0.45 110.4 -176.445 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.406 HG23 ' H ' ' A' ' 40' ' ' GLY . 47.8 p -106.24 -32.92 7.98 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 121.414 0.626 . . . . 0.54 110.733 179.303 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.492 ' HG3' ' CG1' ' A' ' 35' ' ' VAL . 10.0 mmpt? -106.56 -11.91 15.75 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.865 -0.607 . . . . 2.24 111.327 -174.471 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.505 ' HE3' ' O ' ' A' ' 82' ' ' ALA . 4.5 tmtt? -146.2 -150.67 0.34 Allowed 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.118 0.485 . . . . 1.82 110.808 -176.686 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.483 ' H ' ' HD2' ' A' ' 65' ' ' LYS . 3.8 p30 161.58 123.42 0.0 OUTLIER 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 114.32 -1.309 . . . . 2.12 108.263 -171.285 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.574 ' OG1' ' HB2' ' A' ' 60' ' ' ASN . 49.3 p -136.48 141.07 43.47 Favored 'General case' 0 C--N 1.315 -0.92 0 N-CA-C 108.701 -0.852 . . . . 0.56 108.701 178.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.457 ' HA ' ' HG2' ' A' ' 59' ' ' GLU . 0.4 OUTLIER -138.69 91.44 2.53 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 122.064 0.935 . . . . 1.95 111.666 -169.97 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 2.9 m-70 -68.76 85.72 0.32 Allowed 'General case' 0 C--N 1.313 -0.982 0 CA-C-N 114.806 -1.088 . . . . 0.39 109.66 177.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.659 ' HA ' ' OD2' ' A' ' 57' ' ' ASP . 30.7 mtmt -79.43 118.92 21.76 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.762 0.653 . . . . 2.3 112.762 -175.493 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 9.1 t70 59.06 77.73 0.29 Allowed 'General case' 0 N--CA 1.469 0.518 0 O-C-N 123.875 0.734 . . . . 2.07 111.632 168.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' TRP . . . . . 0.429 ' HE1' ' N ' ' A' ' 58' ' ' MET . 66.7 p-90 -125.05 163.2 22.88 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.17 -0.468 . . . . 0.43 111.138 -178.705 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.534 ' O ' ' HB3' ' A' ' 76' ' ' GLU . . . -124.71 150.35 46.27 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.964 -0.562 . . . . 0.55 110.276 172.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.657 HD13 ' H ' ' A' ' 74' ' ' LEU . 0.0 OUTLIER -67.55 140.68 56.98 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-O 121.657 0.741 . . . . 1.71 109.788 170.524 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 84.74 2.54 88.62 Favored Glycine 0 C--N 1.312 -0.76 0 CA-C-N 115.021 -0.991 . . . . 0.59 112.09 -169.735 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.534 ' HB3' ' O ' ' A' ' 73' ' ' ALA . 43.0 tt0 -107.17 150.71 26.31 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 121.153 0.501 . . . . 2.37 111.364 -177.208 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -120.67 118.54 30.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.291 -0.868 . . . . 1.4 109.142 178.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 38.5 p90 -139.34 159.7 41.55 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.532 0.206 . . . . 0.57 110.763 -175.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 54.5 tt0 -92.75 152.86 19.25 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.482 -0.326 . . . . 1.95 110.393 178.669 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.418 ' HB3' ' CD1' ' A' ' 90' ' ' ILE . 25.3 t0 -166.74 175.9 7.52 Favored 'General case' 0 C--O 1.236 0.36 0 N-CA-C 109.726 -0.472 . . . . 1.26 109.726 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.429 ' HG2' HE22 ' A' ' 87' ' ' GLN . 16.9 mt-10 -80.2 128.57 33.68 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.946 -0.391 . . . . 2.13 109.946 -179.423 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.505 ' O ' ' HE3' ' A' ' 65' ' ' LYS . . . -80.56 153.92 27.78 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 116.041 -0.527 . . . . 0.95 111.428 173.839 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.514 HD22 ' H ' ' A' ' 83' ' ' LEU . 3.1 mm? -58.43 -24.81 61.19 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 122.208 1.004 . . . . 1.34 109.1 171.071 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -81.05 1.76 30.06 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 113.762 -1.563 . . . . 1.55 111.134 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 55.9 m 67.14 42.73 2.26 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 115.356 -0.838 . . . . 1.21 112.316 178.019 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 1.9 p -127.55 160.44 31.54 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.851 -0.613 . . . . 0.93 110.139 173.46 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.429 HE22 ' HG2' ' A' ' 81' ' ' GLU . 25.8 mm-40 -91.97 81.08 5.13 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.106 -0.701 . . . . 1.88 109.106 -178.293 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . 0.482 ' HA ' HG13 ' A' ' 107' ' ' VAL . 9.6 p-80 -101.75 155.26 18.23 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.276 -0.875 . . . . 1.04 112.637 -160.567 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 20.3 ttmm -72.83 140.8 47.86 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 114.853 -1.067 . . . . 1.49 110.919 176.573 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.418 ' CD1' ' HB3' ' A' ' 80' ' ' ASP . 63.7 mt -132.66 145.65 34.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 116.139 -0.482 . . . . 0.54 110.401 177.301 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 49.1 m -135.28 129.29 33.33 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 116.356 -0.384 . . . . 0.43 109.974 170.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -108.51 138.53 44.66 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 108.875 -0.787 . . . . 0.6 108.875 177.214 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -161.02 145.85 13.92 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 110.015 -0.365 . . . . 1.69 110.015 -178.795 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -88.95 118.3 28.57 Favored 'General case' 0 C--N 1.317 -0.84 0 N-CA-C 109.247 -0.649 . . . . 1.12 109.247 175.683 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 52.4 tttp -92.1 -53.84 4.08 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 108.814 -0.81 . . . . 3.03 108.814 -175.601 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -123.46 163.05 36.75 Favored Pre-proline 0 C--N 1.32 -0.707 0 N-CA-C 108.201 -1.037 . . . . 1.79 108.201 173.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_exo -67.71 4.39 1.42 Allowed 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.998 2.465 . . . . 0.98 112.386 -176.271 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . 0.454 ' C ' ' HZ ' ' A' ' 7' ' ' PHE . 54.6 m-80 -142.58 24.57 1.89 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.521 -0.763 . . . . 2.32 109.975 178.828 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 55.5 m -152.33 108.31 3.37 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 121.22 0.533 . . . . 0.56 111.766 179.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.43 ' CD1' HD21 ' A' ' 3' ' ' LEU . 0.4 OUTLIER -82.63 151.81 26.15 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 107.884 -1.154 . . . . 1.1 107.884 171.179 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.479 HG22 ' HG2' ' A' ' 117' ' ' GLU . 19.6 p -129.51 136.17 49.52 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 118.925 0.784 . . . . 0.41 111.507 175.589 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -118.41 103.07 9.42 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.67 -0.695 . . . . 1.31 109.685 174.35 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 36.1 m -85.98 101.92 13.33 Favored 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 108.904 -0.776 . . . . 0.51 108.904 176.587 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' HIS . . . . . 0.481 ' HB2' ' CD2' ' A' ' 88' ' ' HIS . 6.5 p80 -102.92 106.35 16.88 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.696 0.76 . . . . 1.69 110.71 -175.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 10.9 mt -99.17 121.48 49.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 114.41 -1.268 . . . . 0.75 111.695 -174.74 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -62.56 112.74 2.61 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.02 -0.536 . . . . 1.61 110.681 171.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.482 HG13 ' HA ' ' A' ' 88' ' ' HIS . 14.6 m -63.67 -18.96 23.23 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 115.507 -0.769 . . . . 1.32 111.782 176.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -73.04 -44.77 60.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.321 0.581 . . . . 2.5 110.208 178.034 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -151.88 102.23 2.85 Favored Pre-proline 0 C--N 1.323 -0.548 0 CA-C-N 115.23 -0.896 . . . . 2.39 109.06 177.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -74.2 19.98 0.42 Allowed 'Trans proline' 0 C--N 1.33 -0.437 0 C-N-CA 123.239 2.626 . . . . 0.9 114.283 -175.059 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 62.7 p -113.46 -7.88 13.41 Favored 'General case' 0 C--N 1.328 -0.327 0 O-C-N 121.931 -0.48 . . . . 1.47 110.659 172.129 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -102.08 29.27 5.17 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 122.101 0.953 . . . . 1.59 109.306 177.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 17.7 m -82.44 -175.36 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 114.88 -1.054 . . . . 1.6 111.699 -172.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.509 ' HG3' ' OH ' ' A' ' 22' ' ' TYR . 0.0 OUTLIER -167.06 170.21 12.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.95 -0.568 . . . . 2.78 110.712 174.744 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 90.5 m -135.77 132.93 37.41 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.063 -0.517 . . . . 0.53 111.126 -178.714 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' TYR . . . . . 0.493 ' HB3' ' SD ' ' A' ' 127' ' ' MET . 36.5 m-85 -91.99 150.84 20.78 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 107.477 -1.305 . . . . 0.96 107.477 172.006 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . 0.479 ' HG2' HG22 ' A' ' 101' ' ' THR . 28.4 mt-10 -131.46 99.77 4.93 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 107.696 -1.224 . . . . 1.27 107.696 174.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 89.8 m-85 -80.57 97.62 7.26 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 116.268 -0.424 . . . . 0.6 110.682 -175.338 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . 0.518 ' HG3' ' HB ' ' A' ' 126' ' ' VAL . 2.9 ptp180 -102.95 157.94 16.63 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.967 -0.56 . . . . 3.41 110.214 177.769 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 11.6 tpt180 -108.52 114.25 27.92 Favored 'General case' 0 C--N 1.317 -0.825 0 N-CA-C 109.529 -0.545 . . . . 1.96 109.529 176.267 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -114.02 79.53 1.27 Allowed 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.34 -0.615 . . . . 1.08 109.34 179.749 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 81.56 -120.98 5.29 Favored Glycine 0 N--CA 1.444 -0.775 0 CA-C-N 115.433 -0.803 . . . . 0.92 111.661 -177.761 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 23.8 m-20 -93.45 2.34 56.51 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.845 0.355 . . . . 2.31 110.464 -179.725 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . 0.69 ' CD2' ' HB3' ' A' ' 141' ' ' LYS . 95.3 m-85 -112.88 129.86 56.31 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.204 0.526 . . . . 0.67 111.458 -175.265 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -79.57 115.53 19.25 Favored 'General case' 0 N--CA 1.442 -0.834 0 N-CA-C 106.423 -1.695 . . . . 1.03 106.423 169.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 0.518 ' HB ' ' HG3' ' A' ' 119' ' ' ARG . 86.9 t -109.52 121.61 62.8 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.047 0 C-N-CA 120.231 -0.588 . . . . 0.47 110.551 -170.126 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' MET . . . . . 0.493 ' SD ' ' HB3' ' A' ' 116' ' ' TYR . 44.7 tpp -76.91 122.22 24.55 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 115.16 -0.927 . . . . 1.08 109.249 175.51 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 14.7 tptm -115.88 107.96 15.68 Favored 'General case' 0 C--N 1.312 -1.037 0 N-CA-C 108.413 -0.958 . . . . 2.2 108.413 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 32.9 ttp -136.38 137.78 40.91 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 109.714 -0.476 . . . . 1.11 109.714 -176.486 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . 0.406 ' HA ' ' O ' ' A' ' 134' ' ' VAL . 12.1 p -143.28 129.07 19.37 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.295 0.569 . . . . 1.06 111.895 -176.745 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 131' ' ' TRP . . . . . . . . . . . . . 63.4 t-105 -136.36 129.52 31.44 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.09 -0.959 . . . . 0.76 109.69 -178.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 24.8 mtpp 54.98 44.8 27.66 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.237 0.541 . . . . 1.96 111.782 -178.461 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 78.18 -12.18 20.06 Favored Glycine 0 N--CA 1.451 -0.309 0 CA-C-N 115.776 -0.647 . . . . 0.53 113.063 178.347 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . 0.406 ' O ' ' HA ' ' A' ' 130' ' ' SER . 47.0 t -88.74 107.72 18.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-O 120.861 0.362 . . . . 0.43 110.651 -178.122 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -97.18 139.28 33.39 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.027 -0.533 . . . . 1.14 111.062 178.644 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 3.9 t -131.62 133.69 45.21 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.803 -0.635 . . . . 0.4 110.114 176.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 69.6 m -112.06 123.85 51.14 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.865 -0.42 . . . . 0.79 109.865 175.198 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 138' ' ' ARG . . . . . 0.49 ' HB3' ' HB3' ' A' ' 127' ' ' MET . 15.7 ttp-105 -116.78 128.98 55.81 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 109.602 -0.518 . . . . 1.84 109.602 -179.13 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 53.6 m-85 -100.53 114.39 27.98 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.884 -0.598 . . . . 0.64 111.296 -167.419 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 -108.67 146.46 33.41 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.324 -0.853 . . . . 0.6 109.539 177.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 141' ' ' LYS . . . . . 0.69 ' HB3' ' CD2' ' A' ' 124' ' ' TYR . 0.0 OUTLIER -137.04 159.93 40.45 Favored 'General case' 0 C--N 1.31 -1.124 0 N-CA-C 107.927 -1.138 . . . . 1.92 107.927 175.862 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 142' ' ' LYS . . . . . 0.632 ' O ' ' HD3' ' A' ' 141' ' ' LYS . 13.2 tmtt? -44.8 153.35 0.18 Allowed 'General case' 0 CA--C 1.553 1.06 0 CA-C-O 121.421 0.629 . . . . 2.13 112.59 -174.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . 0.454 ' HG3' HG22 ' A' ' 10' ' ' THR . 41.8 mm-40 . . . . . 0 C--O 1.247 0.947 0 O-C-N 121.094 -1.004 . . . . 1.46 111.239 168.387 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 29.6 m . . . . . 0 N--CA 1.447 -0.606 0 N-CA-C 108.232 -1.025 . . . . 0.99 108.232 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.541 ' HB2' ' CE1' ' A' ' 56' ' ' TYR . 2.7 mt -61.68 119.88 51.44 Favored Pre-proline 0 CA--C 1.516 -0.359 0 CA-C-O 120.712 0.291 . . . . 0.59 110.831 -177.571 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_endo -72.17 140.01 33.44 Favored 'Trans proline' 0 N--CA 1.451 -1.008 0 C-N-CA 122.074 1.849 . . . . 0.61 110.88 175.604 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . 0.462 ' HA ' HD12 ' A' ' 8' ' ' LEU . 7.3 t70 -51.83 -25.99 8.94 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 114.915 -1.039 . . . . 2.19 112.164 -176.157 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp -44.15 -45.64 8.37 Favored 'General case' 0 CA--C 1.531 0.242 0 N-CA-C 112.415 0.524 . . . . 2.53 112.415 174.202 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.406 ' CD1' ' HG2' ' A' ' 120' ' ' ARG . 49.3 m-85 -91.8 5.91 48.09 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.811 -0.356 . . . . 0.6 111.827 -172.362 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.462 HD12 ' HA ' ' A' ' 5' ' ' ASP . 97.1 mt -101.68 135.6 42.93 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.452 0.644 . . . . 0.46 111.657 -174.235 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 139.85 174.07 13.55 Favored Glycine 0 N--CA 1.442 -0.902 0 CA-C-N 114.706 -1.133 . . . . 0.52 111.282 -177.202 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 7.1 m -110.42 132.67 53.97 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 109.616 -0.513 . . . . 1.05 109.616 177.006 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.638 ' HA ' ' HA ' ' A' ' 142' ' ' LYS . 14.6 m-85 -128.02 138.91 52.77 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 111.761 0.282 . . . . 0.47 111.761 -173.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' ' 141' ' ' LYS . 47.8 mtpt -77.65 -167.57 0.99 Allowed 'General case' 0 CA--C 1.532 0.279 0 CA-C-O 120.968 0.413 . . . . 2.19 109.984 168.326 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 52.7 tp -129.4 117.56 20.77 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.174 -0.676 . . . . 1.14 109.174 -176.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -106.52 -44.63 4.45 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 120.55 -0.46 . . . . 2.08 112.228 -173.371 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 10.5 tpt180 -142.78 154.33 44.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.239 0.543 . . . . 3.36 111.915 -173.793 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -142.06 147.36 36.67 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.492 -0.776 . . . . 1.19 109.232 173.683 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 32.1 mm-40 -138.41 126.35 22.54 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.646 -0.252 . . . . 2.66 110.94 -175.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 62.9 t30 70.03 23.2 5.45 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-O 121.698 0.761 . . . . 0.76 110.676 176.1 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 39.8 t80 -76.8 -39.74 50.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.46 -0.791 . . . . 0.49 111.353 -173.602 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.409 ' OD1' ' HD2' ' A' ' 33' ' ' ARG . 10.8 t0 -56.75 -51.01 70.52 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.904 0.383 . . . . 2.04 110.103 176.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 31.1 mm-40 -53.33 -42.61 66.9 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-N 115.578 -0.737 . . . . 1.79 110.855 177.784 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 89.1 t80 -60.42 -40.7 92.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.912 -0.585 . . . . 0.57 111.136 177.264 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 76.4 mt -64.71 -38.78 92.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.725 0.297 . . . . 0.37 110.497 -178.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 54.6 mttm -61.73 -47.83 83.46 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.439 0.637 . . . . 1.88 109.754 177.564 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.17 -40.44 89.96 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 114.764 -1.107 . . . . 0.44 111.418 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.432 HH11 ' HD2' ' A' ' 26' ' ' ARG . 12.0 mmm180 -70.79 -13.79 62.18 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.951 -0.568 . . . . 1.29 111.745 -179.074 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 95.79 26.26 11.97 Favored Glycine 0 N--CA 1.446 -0.679 0 C-N-CA 120.44 -0.886 . . . . 0.62 112.702 177.351 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 71.5 m-85 -96.13 122.06 38.57 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.009 0.433 . . . . 0.64 110.301 178.169 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -83.48 -168.52 43.55 Favored Glycine 0 N--CA 1.446 -0.695 0 CA-C-N 115.516 -0.766 . . . . 1.54 111.829 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.486 ' O ' ' HG2' ' A' ' 34' ' ' GLN . 66.9 t90 -53.06 -47.25 68.61 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 112.337 0.495 . . . . 1.18 112.337 -175.733 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.704 ' H ' HD12 ' A' ' 31' ' ' ILE . 3.6 mp -55.12 -60.23 1.79 Allowed 'Isoleucine or valine' 0 CA--C 1.503 -0.828 0 CA-C-O 121.416 0.627 . . . . 2.16 110.294 -174.274 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.508 ' O ' HG13 ' A' ' 36' ' ' ILE . 62.6 mmm -64.47 -32.1 73.59 Favored 'General case' 0 N--CA 1.427 -1.601 0 CA-C-N 115.157 -0.929 . . . . 0.97 110.763 -175.788 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.409 ' HD2' ' OD1' ' A' ' 20' ' ' ASP . 18.7 ttp180 -67.24 -28.94 68.47 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.908 -0.587 . . . . 1.87 110.293 -177.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.591 ' O ' HD23 ' A' ' 38' ' ' LEU . 12.5 mm100 -78.45 -25.94 46.05 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.978 -0.555 . . . . 1.97 111.119 176.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 90.7 t -85.49 -62.16 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-O 120.83 0.348 . . . . 0.68 110.79 178.112 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.508 HG13 ' O ' ' A' ' 32' ' ' MET . 56.0 mt -48.03 -44.38 11.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.234 -0.894 . . . . 0.51 113.192 -178.419 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 46.4 mtmt -74.53 -29.37 61.36 Favored 'General case' 0 N--CA 1.467 0.405 0 O-C-N 121.955 -0.466 . . . . 0.97 111.769 -178.607 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.591 HD23 ' O ' ' A' ' 34' ' ' GLN . 3.9 mm? -96.36 22.29 8.01 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.198 0.523 . . . . 2.08 110.425 -176.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -115.63 123.61 48.84 Favored 'General case' 0 N--CA 1.443 -0.787 0 CA-C-N 115.612 -0.722 . . . . 1.03 110.126 177.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -82.88 161.65 40.2 Favored Glycine 0 N--CA 1.444 -0.802 0 N-CA-C 110.409 -1.077 . . . . 0.84 110.409 174.062 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.983 ' HB ' HG22 ' A' ' 62' ' ' THR . 0.5 OUTLIER -153.98 139.3 10.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-O 121.34 0.591 . . . . 1.3 111.464 -176.853 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 58.9 m -113.26 122.42 47.4 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 114.997 -1.001 . . . . 0.45 110.121 -178.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.617 ' HE2' ' SD ' ' A' ' 127' ' ' MET . 39.1 mmtm -87.18 130.27 34.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.352 -0.386 . . . . 0.79 110.151 178.292 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.454 ' O ' ' HA ' ' A' ' 58' ' ' MET . 41.2 ttmt -131.23 101.64 5.65 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.619 0.247 . . . . 1.96 111.338 -176.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 80.8 m-85 -108.62 130.78 55.31 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 108.858 -0.793 . . . . 0.54 108.858 177.212 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.494 ' HG3' ' HB3' ' A' ' 57' ' ' ASP . 33.7 ptt180 -161.67 172.33 16.44 Favored 'General case' 0 C--N 1.318 -0.791 0 C-N-CA 120.925 -0.31 . . . . 3.17 110.864 -177.322 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 24.8 m-80 -66.55 157.99 30.89 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.363 -0.606 . . . . 1.85 109.363 171.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.403 ' HA ' ' HB2' ' A' ' 57' ' ' ASP . . . -59.03 161.79 4.8 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.069 0.396 . . . . 0.87 112.069 -176.443 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -41.4 -60.0 1.41 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.532 -0.758 . . . . 1.48 112.745 179.448 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 48.5 t -64.36 -39.12 93.25 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.412 0.625 . . . . 2.37 109.346 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 112.05 46.66 0.75 Allowed Glycine 0 N--CA 1.452 -0.236 0 CA-C-N 115.302 -0.863 . . . . 1.91 112.259 176.012 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 57.1 mtpt -94.26 147.57 33.58 Favored Pre-proline 0 C--N 1.321 -0.664 0 CA-C-O 120.741 0.305 . . . . 3.17 110.809 -176.494 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.401 ' C ' ' H ' ' A' ' 55' ' ' ARG . 74.2 Cg_endo -74.68 148.09 36.34 Favored 'Trans proline' 0 N--CA 1.458 -0.615 0 C-N-CA 122.45 2.1 . . . . 1.84 111.11 174.804 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 67.92 -1.81 1.62 Allowed 'General case' 0 N--CA 1.475 0.781 0 CA-C-N 116.256 -0.429 . . . . 2.44 111.155 178.156 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.401 ' H ' ' C ' ' A' ' 53' ' ' PRO . 0.1 OUTLIER -124.91 111.13 15.09 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.813 -1.181 . . . . 4.1 107.813 176.737 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.541 ' CE1' ' HB2' ' A' ' 3' ' ' LEU . 96.5 m-85 -118.15 175.99 5.43 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-O 121.418 0.627 . . . . 0.97 112.148 -170.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.494 ' HB3' ' HG3' ' A' ' 46' ' ' ARG . 13.7 t70 -128.55 130.3 47.21 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 114.816 -1.084 . . . . 1.1 108.675 -179.049 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.454 ' HA ' ' O ' ' A' ' 44' ' ' LYS . 10.6 tpt -135.49 124.39 24.09 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 120.826 0.346 . . . . 0.98 110.53 -175.84 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.553 ' HG3' ' O ' ' A' ' 67' ' ' THR . 39.5 tt0 -132.32 145.76 51.5 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 121.029 0.442 . . . . 1.11 111.424 -174.025 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.455 ' HB2' ' OG1' ' A' ' 67' ' ' THR . 47.6 m-80 -124.37 104.64 8.89 Favored 'General case' 0 CA--C 1.517 -0.314 0 CA-C-N 115.7 -0.682 . . . . 1.17 109.772 177.62 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.467 ' O ' ' HA ' ' A' ' 41' ' ' VAL . 87.3 mt -97.37 122.43 40.4 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 116.2 -0.455 . . . . 1.67 110.263 178.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.983 HG22 ' HB ' ' A' ' 41' ' ' VAL . 44.1 p -126.03 -163.99 1.27 Allowed 'General case' 0 N--CA 1.442 -0.841 0 N-CA-C 110.033 -0.358 . . . . 0.45 110.033 -177.528 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 72.2 p -95.85 -22.4 17.49 Favored 'General case' 0 C--N 1.314 -0.948 0 CA-C-O 121.18 0.514 . . . . 0.54 110.646 -178.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 73.7 mmtt -116.25 -15.72 11.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.778 -0.646 . . . . 2.24 111.708 -175.411 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.437 ' HB3' ' H ' ' A' ' 66' ' ' ASP . 29.5 mmmt -137.9 -156.08 0.66 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.205 0.526 . . . . 1.82 112.218 -171.35 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.437 ' H ' ' HB3' ' A' ' 65' ' ' LYS . 7.1 t70 167.46 130.29 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 114.351 -1.295 . . . . 2.12 108.47 -170.684 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.555 HG22 ' O ' ' A' ' 81' ' ' GLU . 75.2 p -144.58 140.46 28.78 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 108.967 -0.753 . . . . 0.56 108.967 -178.802 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 7.5 t-160 -136.05 93.8 2.97 Favored 'General case' 0 C--N 1.321 -0.657 0 C-N-CA 120.311 -0.556 . . . . 1.95 110.76 -176.299 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 8.7 m-70 -75.43 86.11 2.57 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 108.455 -0.942 . . . . 0.39 108.455 175.507 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -86.94 122.34 30.65 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 112.426 0.528 . . . . 2.3 112.426 -175.444 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.7 t70 59.94 72.15 0.54 Allowed 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 114.863 -1.062 . . . . 2.07 111.476 172.358 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 68.9 p-90 -119.98 152.85 36.84 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.89 -0.595 . . . . 0.43 110.535 178.119 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -118.72 155.14 31.6 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 116.37 -0.377 . . . . 0.55 110.464 177.05 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.713 HD21 HD23 ' A' ' 94' ' ' LEU . 4.2 mp -58.46 138.09 56.9 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.335 0.588 . . . . 1.71 111.288 173.066 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 77.38 7.56 87.0 Favored Glycine 0 N--CA 1.448 -0.502 0 CA-C-N 115.033 -0.985 . . . . 0.59 112.413 -176.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -100.49 148.93 24.22 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.069 0.462 . . . . 2.37 110.619 -177.33 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.511 ' HA ' ' O ' ' A' ' 90' ' ' ILE . 40.5 tt0 -123.19 114.98 21.01 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.205 -0.907 . . . . 1.4 108.817 -179.608 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 38.2 p90 -129.24 153.99 47.23 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 116.586 -0.279 . . . . 0.57 110.957 -174.558 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 28.4 tt0 -83.96 142.29 30.62 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.43 -0.581 . . . . 1.95 109.43 176.048 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.424 ' HB3' HD12 ' A' ' 90' ' ' ILE . 6.3 t70 -149.02 169.25 21.05 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.753 0.311 . . . . 1.26 110.806 -171.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.555 ' O ' HG22 ' A' ' 67' ' ' THR . 24.3 mt-10 -109.41 85.99 2.2 Favored 'General case' 0 CA--C 1.515 -0.376 0 N-CA-C 108.806 -0.813 . . . . 2.13 108.806 -179.483 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -80.33 174.85 11.19 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 113.763 1.023 . . . . 0.95 113.763 -164.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.505 HD22 ' H ' ' A' ' 83' ' ' LEU . 3.0 mm? -55.39 -33.81 63.79 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 121.537 0.684 . . . . 1.34 110.073 179.392 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 5.1 p30 -71.26 0.75 7.23 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 114.726 -1.125 . . . . 1.55 111.786 -177.605 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 37.1 m 66.81 27.25 9.2 Favored 'General case' 0 C--O 1.234 0.276 0 N-CA-C 112.421 0.526 . . . . 1.21 112.421 173.703 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.543 ' OG1' ' HD2' ' A' ' 88' ' ' HIS . 21.0 p -122.46 164.66 17.67 Favored 'General case' 0 C--O 1.24 0.596 0 C-N-CA 120.803 -0.359 . . . . 0.93 110.945 174.707 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 23.2 mm-40 -105.3 88.43 2.85 Favored 'General case' 0 CA--C 1.511 -0.522 0 N-CA-C 108.992 -0.744 . . . . 1.88 108.992 -175.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . 0.575 ' HB2' ' O ' ' A' ' 105' ' ' ILE . 21.1 p80 -132.5 175.34 9.38 Favored 'General case' 0 C--N 1.313 -1.013 0 C-N-CA 119.866 -0.734 . . . . 1.04 111.633 -168.259 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 60.3 pttt -84.23 149.7 25.94 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.751 -0.659 . . . . 1.49 110.639 -174.562 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.511 ' O ' ' HA ' ' A' ' 77' ' ' GLU . 47.5 mt -142.54 136.62 27.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.303 -0.862 . . . . 0.54 110.347 -177.375 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 28.8 m -120.37 138.75 53.57 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.462 -0.335 . . . . 0.43 110.704 176.648 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.42 ' CE1' ' HG3' ' A' ' 102' ' ' GLU . 7.3 m-85 -119.83 138.9 53.1 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.93 -0.577 . . . . 0.6 109.534 176.499 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.458 ' O ' HD12 ' A' ' 100' ' ' LEU . 8.2 p-10 -171.58 173.51 4.67 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.735 0.302 . . . . 1.69 110.384 -179.411 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.713 HD23 HD21 ' A' ' 74' ' ' LEU . 1.5 mm? -100.67 119.15 38.16 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.993 0.425 . . . . 1.12 110.093 179.802 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -88.13 -49.89 6.73 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.44 -0.8 . . . . 3.03 109.497 -176.642 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -129.68 166.59 24.86 Favored Pre-proline 0 C--N 1.32 -0.705 0 N-CA-C 108.053 -1.091 . . . . 1.79 108.053 177.056 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_exo -65.68 6.63 0.41 Allowed 'Trans proline' 0 N--CA 1.476 0.462 0 C-N-CA 123.031 2.487 . . . . 0.98 113.151 -176.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -150.98 26.49 0.72 Allowed 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.561 -0.533 . . . . 2.32 109.561 175.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 28.0 m -141.63 107.05 5.02 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 116.169 -0.469 . . . . 0.56 111.575 -177.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.485 ' HB3' ' HB2' ' A' ' 118' ' ' TYR . 18.2 tp -92.57 130.18 38.29 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.265 -0.643 . . . . 1.1 109.265 173.691 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.518 HG22 ' HG2' ' A' ' 117' ' ' GLU . 0.8 OUTLIER -110.53 137.31 48.39 Favored 'General case' 0 C--N 1.32 -0.68 0 O-C-N 121.542 -0.724 . . . . 0.41 112.587 -174.355 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.42 ' HG3' ' CE1' ' A' ' 92' ' ' PHE . 25.5 tt0 -111.08 103.93 12.42 Favored 'General case' 0 N--CA 1.454 -0.24 0 N-CA-C 108.665 -0.865 . . . . 1.31 108.665 167.584 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 54.6 m -99.15 107.42 19.77 Favored 'General case' 0 C--N 1.316 -0.858 0 N-CA-C 109.153 -0.684 . . . . 0.51 109.153 178.199 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' HIS . . . . . 0.546 ' CE1' ' HB3' ' A' ' 114' ' ' GLU . 21.1 p80 -113.55 120.95 42.74 Favored 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 120.211 -0.596 . . . . 1.69 111.257 -175.643 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.645 HG12 HG23 ' A' ' 113' ' ' VAL . 37.2 mt -113.63 125.72 70.96 Favored 'Isoleucine or valine' 0 C--O 1.238 0.462 0 CA-C-N 115.119 -0.946 . . . . 0.75 110.56 -178.618 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.531 ' HA ' ' CB ' ' A' ' 88' ' ' HIS . 97.5 mttt -62.58 121.94 14.57 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.515 -0.766 . . . . 1.61 111.191 176.013 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.525 HG13 ' HA ' ' A' ' 88' ' ' HIS . 5.3 m -58.39 -26.68 31.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 114.75 -1.114 . . . . 1.32 111.166 176.005 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -84.23 -59.13 2.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.567 -0.742 . . . . 2.5 110.504 178.563 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . 0.497 ' O ' ' HB2' ' A' ' 106' ' ' LYS . 20.4 m-20 -120.85 92.92 48.56 Favored Pre-proline 0 C--N 1.327 -0.39 0 CA-C-N 116.133 -0.485 . . . . 2.39 110.906 -179.212 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_endo -69.13 -5.27 15.41 Favored 'Trans proline' 0 N--CA 1.463 -0.314 0 C-N-CA 123.093 2.529 . . . . 0.9 111.657 176.216 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 16.9 p -73.81 -28.38 61.6 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 115.058 -0.974 . . . . 1.47 110.141 176.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -104.3 54.49 0.73 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.539 0.685 . . . . 1.59 110.354 -179.405 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.645 HG23 HG12 ' A' ' 105' ' ' ILE . 8.2 p -71.19 159.08 5.9 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.004 0 CA-C-N 115.334 -0.848 . . . . 1.6 110.52 174.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.546 ' HB3' ' CE1' ' A' ' 104' ' ' HIS . 29.1 tt0 -154.35 149.72 27.19 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.561 -0.533 . . . . 2.78 109.561 175.458 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 84.8 m -134.56 131.14 37.56 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.236 0.541 . . . . 0.53 111.326 -177.62 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 17.0 m-85 -102.31 149.83 23.94 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 108.268 -1.012 . . . . 0.96 108.268 175.268 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . 0.518 ' HG2' HG22 ' A' ' 101' ' ' THR . 33.0 mt-10 -133.28 126.15 30.82 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.21 -1.033 . . . . 1.27 108.21 -176.749 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . 0.485 ' HB2' ' HB3' ' A' ' 100' ' ' LEU . 64.5 m-85 -108.1 113.21 26.19 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-O 120.733 0.302 . . . . 0.6 111.318 -173.584 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . 0.405 HH11 ' HD2' ' A' ' 119' ' ' ARG . 31.9 mtm180 -116.34 161.95 18.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.864 -0.607 . . . . 3.41 110.183 178.096 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . 0.406 ' HG2' ' CD1' ' A' ' 7' ' ' PHE . 11.7 mmm-85 -114.42 134.86 54.68 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.833 0.349 . . . . 1.96 111.16 173.816 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' ASP . . . . . 0.574 ' HB3' HG21 ' A' ' 126' ' ' VAL . 32.2 t70 -151.57 97.5 2.39 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.432 -0.803 . . . . 1.08 109.2 175.343 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 74.09 -144.65 33.76 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.794 -0.717 . . . . 0.92 111.47 -176.659 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -85.81 29.59 0.7 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.983 0.897 . . . . 2.31 109.749 178.467 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . 0.471 ' CZ ' ' HE3' ' A' ' 141' ' ' LYS . 20.0 m-85 -122.76 132.18 54.11 Favored 'General case' 0 CA--C 1.51 -0.568 0 CA-C-N 115.363 -0.835 . . . . 0.67 111.295 -177.265 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.516 ' HB3' ' HB2' ' A' ' 140' ' ' TYR . 3.0 tm? -82.36 103.95 12.3 Favored 'General case' 0 N--CA 1.44 -0.947 0 N-CA-C 106.422 -1.695 . . . . 1.03 106.422 164.22 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 0.574 HG21 ' HB3' ' A' ' 121' ' ' ASP . 92.4 t -92.21 96.43 6.25 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 CA-C-O 121.957 0.884 . . . . 0.47 109.19 -173.29 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' MET . . . . . 0.617 ' SD ' ' HE2' ' A' ' 43' ' ' LYS . 20.6 ttt -90.25 142.03 28.12 Favored 'General case' 0 C--N 1.305 -1.358 0 CA-C-N 114.144 -1.389 . . . . 1.08 109.428 -175.612 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . 0.453 ' HB3' ' HB2' ' A' ' 117' ' ' GLU . 77.6 tttt -128.45 139.73 52.2 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-O 120.922 0.391 . . . . 2.2 110.14 -175.54 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' MET . . . . . 0.478 ' HB2' ' CG2' ' A' ' 136' ' ' THR . 45.8 mtp -136.8 132.1 34.23 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 108.399 -0.963 . . . . 1.11 108.399 178.46 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . 0.532 ' HA ' ' O ' ' A' ' 134' ' ' VAL . 10.3 p -138.46 127.18 23.58 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.364 0.602 . . . . 1.06 111.78 -179.415 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 131' ' ' TRP . . . . . 0.524 ' CD1' ' HG2' ' A' ' 132' ' ' LYS . 46.3 t-105 -146.76 134.49 21.14 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.153 -0.93 . . . . 0.76 109.656 177.785 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . 0.524 ' HG2' ' CD1' ' A' ' 131' ' ' TRP . 75.0 mmtt 54.72 41.16 32.12 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 123.717 0.636 . . . . 1.96 111.186 -175.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 75.84 -6.99 30.1 Favored Glycine 0 CA--C 1.519 0.291 0 CA-C-N 115.823 -0.626 . . . . 0.53 112.975 179.72 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . 0.532 ' O ' ' HA ' ' A' ' 130' ' ' SER . 33.4 t -85.53 105.65 14.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.861 0.331 . . . . 0.43 110.421 -179.246 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -98.51 124.3 43.17 Favored 'General case' 0 N--CA 1.443 -0.798 0 CA-C-O 121.363 0.601 . . . . 1.14 110.794 177.163 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 136' ' ' THR . . . . . 0.478 ' CG2' ' HB2' ' A' ' 129' ' ' MET . 4.6 t -115.95 137.09 52.43 Favored 'General case' 0 C--N 1.309 -1.165 0 CA-C-N 115.097 -0.956 . . . . 0.4 109.905 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 4.1 p -101.18 120.34 40.09 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.658 0.742 . . . . 0.79 110.058 177.234 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 138' ' ' ARG . . . . . 0.556 ' HB3' ' HB3' ' A' ' 127' ' ' MET . 12.8 tpt180 -104.78 96.2 6.4 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-N 114.972 -1.013 . . . . 1.84 108.675 -177.659 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 77.6 m-85 -84.95 108.12 17.41 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.394 0.616 . . . . 0.64 111.843 -172.439 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 140' ' ' TYR . . . . . 0.516 ' HB2' ' HB3' ' A' ' 125' ' ' LEU . 52.2 m-85 -96.8 128.43 43.75 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.184 -0.916 . . . . 0.6 110.451 178.201 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 141' ' ' LYS . . . . . 0.471 ' HE3' ' CZ ' ' A' ' 124' ' ' TYR . 3.1 tppp? -103.1 127.16 50.47 Favored 'General case' 0 C--O 1.208 -1.125 0 N-CA-C 107.222 -1.399 . . . . 1.92 107.222 177.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 142' ' ' LYS . . . . . 0.638 ' HA ' ' HA ' ' A' ' 11' ' ' PHE . 80.8 tttt -47.63 167.48 0.02 OUTLIER 'General case' 0 CA--C 1.548 0.877 0 N-CA-C 113.568 0.951 . . . . 2.13 113.568 -171.172 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . 0.517 ' HA ' HE21 ' A' ' 143' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--O 1.248 0.987 0 O-C-N 121.346 -0.846 . . . . 1.46 109.988 166.14 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 7.1 m . . . . . 0 N--CA 1.449 -0.478 0 CA-C-O 120.83 0.347 . . . . 0.99 110.583 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.536 ' HB2' ' CE1' ' A' ' 56' ' ' TYR . 0.6 OUTLIER -66.33 120.4 69.89 Favored Pre-proline 0 C--N 1.324 -0.521 0 CA-C-N 115.579 -0.737 . . . . 0.59 110.961 -176.048 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_exo -56.22 121.2 9.58 Favored 'Trans proline' 0 N--CA 1.458 -0.613 0 C-N-CA 122.538 2.159 . . . . 0.61 110.654 172.482 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . 0.522 ' HA ' HD12 ' A' ' 8' ' ' LEU . 26.8 t70 -53.11 -23.01 7.0 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 115.949 -0.569 . . . . 2.19 111.453 -179.118 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.479 ' O ' ' HD3' ' A' ' 120' ' ' ARG . 0.1 OUTLIER -55.88 -24.71 38.83 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.796 -0.638 . . . . 2.53 111.872 177.74 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 28.0 m-85 -95.15 -4.36 46.22 Favored 'General case' 0 CA--C 1.519 -0.237 0 O-C-N 121.933 -0.479 . . . . 0.6 110.969 179.75 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.523 HD21 HD13 ' A' ' 3' ' ' LEU . 87.7 mt -95.83 155.76 16.62 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.987 0.423 . . . . 0.46 111.286 -170.856 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 125.28 177.58 14.96 Favored Glycine 0 N--CA 1.442 -0.912 0 CA-C-N 115.572 -0.74 . . . . 0.52 112.313 179.224 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.523 HG23 ' HG2' ' A' ' 44' ' ' LYS . 1.7 m -101.31 125.87 48.0 Favored 'General case' 0 N--CA 1.447 -0.606 0 N-CA-C 109.14 -0.689 . . . . 1.05 109.14 175.652 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 73.1 m-85 -118.53 126.96 53.12 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 113.017 0.747 . . . . 0.47 113.017 -174.015 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.632 ' CG ' HE21 ' A' ' 143' ' ' GLN . 48.7 mtmt -70.02 -176.74 1.18 Allowed 'General case' 0 C--N 1.352 0.702 0 CA-C-O 121.117 0.484 . . . . 2.19 110.463 167.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.2 tt -127.44 114.6 17.71 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.126 -1.064 . . . . 1.14 108.126 -178.046 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -91.3 -49.04 6.57 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.809 -0.356 . . . . 2.08 111.036 -176.73 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 11.0 ptm180 -166.32 -167.76 1.09 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.981 0.42 . . . . 3.36 111.109 -176.035 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -144.99 -174.65 4.42 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.977 -0.556 . . . . 1.19 110.281 -178.648 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -154.71 108.07 2.86 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.972 -0.558 . . . . 2.66 110.037 177.601 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 4.4 t30 69.09 29.46 4.72 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-O 122.001 0.905 . . . . 0.76 110.577 175.154 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.434 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 36.5 t80 -71.52 -43.16 66.96 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.249 -0.887 . . . . 0.49 111.502 -173.199 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -59.24 -44.72 92.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.668 0.271 . . . . 2.04 111.197 179.784 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -62.6 -36.01 81.36 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.48 -0.327 . . . . 1.79 111.303 179.499 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 58.8 t80 -61.2 -37.79 84.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.969 0.414 . . . . 0.57 110.535 173.763 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.434 ' HG ' ' O ' ' A' ' 19' ' ' PHE . 85.1 mt -65.52 -38.76 90.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.37 110.257 -178.653 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 26.0 mtpp -62.32 -47.61 83.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.868 -0.605 . . . . 1.88 109.98 177.418 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.47 -44.75 85.1 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.36 -0.836 . . . . 0.44 111.208 179.298 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.516 ' NH2' ' HB2' ' A' ' 114' ' ' GLU . 18.0 mmm180 -67.7 -9.91 47.8 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 116.167 -0.469 . . . . 1.29 112.046 -177.671 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 101.88 5.7 50.26 Favored Glycine 0 N--CA 1.444 -0.786 0 C-N-CA 120.574 -0.822 . . . . 0.62 112.776 176.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 72.7 m-85 -80.13 121.51 25.65 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.802 0.334 . . . . 0.64 110.143 179.555 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.44 ' O ' ' HG3' ' A' ' 33' ' ' ARG . . . -79.08 -170.69 39.34 Favored Glycine 0 N--CA 1.445 -0.739 0 C-N-CA 120.95 -0.643 . . . . 1.54 111.927 178.784 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.524 ' O ' ' HG2' ' A' ' 34' ' ' GLN . 45.9 t90 -50.61 -45.48 57.57 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 122.6 0.36 . . . . 1.18 111.817 -177.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.769 ' H ' HD12 ' A' ' 31' ' ' ILE . 3.7 mp -54.08 -59.31 2.14 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.8 0 CA-C-O 121.455 0.645 . . . . 2.16 110.251 -175.417 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.483 ' O ' HG13 ' A' ' 36' ' ' ILE . 74.1 mmm -65.56 -36.07 82.72 Favored 'General case' 0 N--CA 1.428 -1.549 0 CA-C-N 114.818 -1.083 . . . . 0.97 111.077 -175.057 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.44 ' HG3' ' O ' ' A' ' 29' ' ' GLY . 52.7 mtm180 -61.37 -26.0 67.54 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.593 -0.276 . . . . 1.87 111.223 179.124 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.524 ' HG2' ' O ' ' A' ' 30' ' ' TRP . 30.1 mm-40 -73.45 -48.38 34.1 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.787 -0.449 . . . . 1.97 109.787 175.264 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 88.3 t -68.21 -59.65 3.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.763 -0.653 . . . . 0.68 111.536 -174.001 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.483 HG13 ' O ' ' A' ' 32' ' ' MET . 44.8 mt -48.09 -36.55 6.13 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.434 0 N-CA-C 113.379 0.881 . . . . 0.51 113.379 -178.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 47.0 mtmt -77.57 -20.34 54.21 Favored 'General case' 0 C--N 1.33 -0.277 0 O-C-N 122.062 -0.399 . . . . 0.97 111.903 -178.404 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.487 ' HG ' ' O ' ' A' ' 34' ' ' GLN . 42.4 mt -88.8 -7.67 55.77 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.991 0.425 . . . . 2.08 110.839 -179.689 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -79.39 97.86 6.52 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.013 -0.539 . . . . 1.03 111.131 -177.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -78.94 56.9 4.32 Favored Glycine 0 N--CA 1.452 -0.239 0 CA-C-N 115.907 -0.588 . . . . 0.84 112.218 178.656 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.564 ' HB ' HG22 ' A' ' 62' ' ' THR . 2.5 p -55.41 147.55 3.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 N-CA-C 113.946 1.091 . . . . 1.3 113.946 -177.264 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 86.2 m -112.11 125.67 54.35 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 114.368 -1.287 . . . . 0.45 109.581 176.728 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.609 ' HE3' ' SD ' ' A' ' 127' ' ' MET . 73.3 mmtt -87.09 136.33 32.96 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.989 -0.374 . . . . 0.79 109.989 178.547 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.523 ' HG2' HG23 ' A' ' 10' ' ' THR . 6.8 mtpm? -132.31 116.16 16.55 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.591 -0.277 . . . . 1.96 110.593 -179.795 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.509 ' HB3' HD23 ' A' ' 8' ' ' LEU . 64.6 m-85 -120.3 143.45 48.34 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 109.156 -0.683 . . . . 0.54 109.156 174.359 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.446 ' HG3' ' HB3' ' A' ' 57' ' ' ASP . 10.5 ptm180 -170.58 171.68 6.25 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.787 0.327 . . . . 3.17 111.007 -179.444 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.519 ' HA ' ' CD2' ' A' ' 56' ' ' TYR . 8.3 p30 -70.19 152.06 44.68 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.647 -0.871 . . . . 1.85 108.647 170.111 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.538 ' HA ' ' HB2' ' A' ' 57' ' ' ASP . . . -49.92 131.03 22.55 Favored 'General case' 0 CA--C 1.516 -0.363 0 CA-C-O 121.606 0.717 . . . . 0.87 111.841 -173.313 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.37 -39.2 89.79 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 113.836 -1.529 . . . . 1.48 112.425 -168.739 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 12.2 p -74.15 12.62 0.69 Allowed 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 112.234 0.457 . . . . 2.37 112.234 -179.337 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 71.3 20.34 78.1 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.66 -0.781 . . . . 1.91 111.77 -176.777 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.425 ' HB3' ' CB ' ' A' ' 48' ' ' ALA . 5.4 tppp? -72.62 118.43 67.84 Favored Pre-proline 0 N--CA 1.444 -0.738 0 N-CA-C 109.62 -0.511 . . . . 3.17 109.62 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.452 ' O ' ' HB3' ' A' ' 54' ' ' ASP . 61.3 Cg_endo -72.19 145.87 44.85 Favored 'Trans proline' 0 C--O 1.237 0.474 0 C-N-CA 122.391 2.06 . . . . 1.84 112.445 -177.518 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.452 ' HB3' ' O ' ' A' ' 53' ' ' PRO . 33.1 t70 82.34 -53.54 0.22 Allowed 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 124.286 1.035 . . . . 2.44 109.968 176.868 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.517 ' HD3' ' OD2' ' A' ' 71' ' ' ASP . 82.8 mtt-85 -67.06 149.66 50.28 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.377 -0.828 . . . . 4.1 112.54 175.014 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.536 ' CE1' ' HB2' ' A' ' 3' ' ' LEU . 66.7 m-85 -122.21 179.02 4.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.468 -0.787 . . . . 0.97 111.132 -179.176 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.547 ' OD2' ' HA ' ' A' ' 70' ' ' LYS . 18.7 t70 -135.58 139.55 43.96 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.693 -0.685 . . . . 1.1 109.489 -177.245 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.469 ' N ' ' HE1' ' A' ' 72' ' ' TRP . 1.4 tmt? -142.3 139.61 31.92 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.47 -0.567 . . . . 0.98 109.47 -178.271 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.528 ' HG3' ' O ' ' A' ' 67' ' ' THR . 38.3 tt0 -142.31 147.94 37.19 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.263 0.554 . . . . 1.11 111.854 -175.443 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.475 ' HB2' ' OG1' ' A' ' 67' ' ' THR . 41.4 m-80 -125.71 100.9 6.63 Favored 'General case' 0 CA--C 1.515 -0.402 0 CA-C-N 115.276 -0.875 . . . . 1.17 109.247 178.867 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.49 ' O ' ' HA ' ' A' ' 41' ' ' VAL . 63.8 mt -93.49 118.54 31.46 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 116.207 -0.451 . . . . 1.67 109.943 178.845 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.564 HG22 ' HB ' ' A' ' 41' ' ' VAL . 4.3 p -121.88 -164.84 1.19 Allowed 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.719 -0.474 . . . . 0.45 109.719 -175.875 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 74.0 p -100.03 -17.72 17.36 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-O 121.346 0.594 . . . . 0.54 110.602 -178.417 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.0 mmmp? -107.05 -39.95 5.59 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.878 -0.601 . . . . 2.24 111.842 -175.682 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.512 ' HD3' ' N ' ' A' ' 66' ' ' ASP . 8.4 tmtm? -158.27 135.03 9.7 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.23 -0.656 . . . . 1.82 109.23 -174.268 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.512 ' N ' ' HD3' ' A' ' 65' ' ' LYS . 22.1 m-20 -108.25 128.13 54.46 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 120.971 0.415 . . . . 2.12 110.284 -177.264 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.687 HG23 HD13 ' A' ' 83' ' ' LEU . 66.3 p -110.65 144.57 39.37 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.958 -0.564 . . . . 0.56 109.746 -179.204 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.419 ' HE2' ' CG ' ' A' ' 57' ' ' ASP . 8.0 t-160 -137.85 97.59 3.46 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.164 0.507 . . . . 1.95 109.956 -178.537 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 7.4 m-70 -75.5 84.2 2.58 Favored 'General case' 0 C--N 1.318 -0.787 0 N-CA-C 108.449 -0.945 . . . . 0.39 108.449 176.215 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.547 ' HA ' ' OD2' ' A' ' 57' ' ' ASP . 10.8 ptpt -89.81 127.08 35.91 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.872 -0.604 . . . . 2.3 111.95 -174.614 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.517 ' OD2' ' HD3' ' A' ' 55' ' ' ARG . 13.3 t70 63.84 72.96 0.45 Allowed 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 115.139 -0.937 . . . . 2.07 110.843 173.611 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' TRP . . . . . 0.469 ' HE1' ' N ' ' A' ' 58' ' ' MET . 69.8 p-90 -126.88 161.42 28.3 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.275 -0.421 . . . . 0.43 111.435 179.201 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.531 ' O ' ' HB3' ' A' ' 76' ' ' GLU . . . -126.36 148.51 49.57 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.834 -0.621 . . . . 0.55 109.738 172.721 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.627 HD13 ' H ' ' A' ' 74' ' ' LEU . 0.0 OUTLIER -65.88 144.99 56.46 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 119.398 -0.921 . . . . 1.71 109.518 170.861 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 85.55 -2.63 87.91 Favored Glycine 0 N--CA 1.441 -0.995 0 CA-C-N 115.127 -0.942 . . . . 0.59 111.784 -169.759 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.531 ' HB3' ' O ' ' A' ' 73' ' ' ALA . 43.5 tt0 -105.97 153.16 22.39 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-O 121.206 0.527 . . . . 2.37 111.466 -176.379 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -128.03 119.15 24.84 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.27 -0.877 . . . . 1.4 108.799 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 40.0 p90 -134.19 157.42 46.29 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.728 -0.215 . . . . 0.57 110.655 -173.593 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.421 ' HA ' ' HA ' ' A' ' 89' ' ' LYS . 1.5 mp0 -85.26 152.69 23.13 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.864 -0.335 . . . . 1.95 110.172 176.546 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -153.48 155.16 35.74 Favored 'General case' 0 C--O 1.245 0.836 0 CA-C-N 116.066 -0.516 . . . . 1.26 110.549 -174.584 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.581 ' O ' HG22 ' A' ' 67' ' ' THR . 13.5 pt-20 -91.11 85.13 5.81 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-O 121.921 0.867 . . . . 2.13 108.828 177.801 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -73.54 171.99 12.17 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 114.935 -1.03 . . . . 0.95 113.13 -168.251 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.711 HD22 ' H ' ' A' ' 83' ' ' LEU . 2.0 mm? -54.92 -30.88 59.53 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.012 -0.54 . . . . 1.34 110.581 -177.824 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -85.64 13.4 7.1 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.795 -0.639 . . . . 1.55 111.128 -174.688 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 22.8 t 63.41 47.15 4.03 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 115.411 -0.813 . . . . 1.21 111.212 172.185 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.451 ' O ' ' HA ' ' A' ' 81' ' ' GLU . 20.9 p -132.37 168.58 17.87 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.825 -0.625 . . . . 0.93 110.024 175.657 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.494 HE22 ' HB3' ' A' ' 81' ' ' GLU . 30.0 mm-40 -105.75 56.68 0.67 Allowed 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.177 -0.675 . . . . 1.88 109.177 178.561 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . 0.528 ' CB ' ' HA ' ' A' ' 106' ' ' LYS . 15.9 p80 -93.8 162.78 13.78 Favored 'General case' 0 C--N 1.32 -0.713 0 C-N-CA 119.622 -0.831 . . . . 1.04 111.801 -169.605 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.421 ' HA ' ' HA ' ' A' ' 79' ' ' GLN . 54.6 pttt -84.05 150.72 25.4 Favored 'General case' 0 N--CA 1.44 -0.952 0 CA-C-N 115.567 -0.742 . . . . 1.49 110.409 -172.183 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 59.2 mt -142.77 134.17 24.39 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.074 0 CA-C-N 114.951 -1.022 . . . . 0.54 110.014 -176.309 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 13.1 m -113.81 131.99 56.03 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 116.179 -0.464 . . . . 0.43 110.524 178.585 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -107.77 135.65 48.83 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 108.286 -1.005 . . . . 0.6 108.286 173.075 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -158.34 147.36 19.15 Favored 'General case' 0 C--N 1.314 -0.953 0 N-CA-C 109.599 -0.519 . . . . 1.69 109.599 -176.761 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.431 ' CD1' ' HG ' ' A' ' 100' ' ' LEU . 1.5 mp -95.24 121.68 37.15 Favored 'General case' 0 C--N 1.317 -0.815 0 C-N-CA 120.306 -0.557 . . . . 1.12 110.83 178.352 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.572 ' HG3' ' OD1' ' A' ' 96' ' ' ASP . 19.1 tptp -85.29 -47.84 9.66 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-N 115.172 -0.922 . . . . 3.03 108.865 -177.16 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.572 ' OD1' ' HG3' ' A' ' 95' ' ' LYS . 6.1 m-20 -140.74 166.12 25.05 Favored Pre-proline 0 C--N 1.321 -0.66 0 N-CA-C 107.839 -1.171 . . . . 1.79 107.839 175.026 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 15.1 Cg_exo -70.73 6.8 1.48 Allowed 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.822 2.348 . . . . 0.98 112.121 -178.542 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 -137.78 15.61 2.89 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.545 -0.752 . . . . 2.32 109.289 176.601 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 33.0 m -151.6 109.4 3.67 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-O 121.447 0.641 . . . . 0.56 111.964 179.096 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.431 ' HG ' ' CD1' ' A' ' 94' ' ' LEU . 0.6 OUTLIER -84.4 153.58 23.33 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.117 -1.068 . . . . 1.1 108.117 172.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 9.1 p -128.29 131.68 48.69 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 119.096 0.862 . . . . 0.41 111.099 173.731 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 68.6 tt0 -116.33 110.54 18.85 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.911 -0.586 . . . . 1.31 109.589 178.193 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 56.1 m -102.13 118.14 36.26 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.817 0.341 . . . . 0.51 111.017 -177.274 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' HIS . . . . . 0.459 ' HB2' ' HB3' ' A' ' 114' ' ' GLU . 17.2 m170 -98.88 122.89 42.71 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.951 -0.389 . . . . 1.69 109.951 176.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.429 HG23 ' HA ' ' A' ' 110' ' ' PRO . 56.5 mt -124.73 117.35 50.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-O 121.44 0.638 . . . . 0.75 111.051 172.836 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.547 ' HD2' ' HB2' ' A' ' 112' ' ' ASP . 54.0 mttm -60.19 118.41 6.33 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 114.756 -1.111 . . . . 1.61 111.048 176.633 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.523 HG22 ' HA ' ' A' ' 88' ' ' HIS . 11.9 m -65.7 -19.75 26.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.942 -0.572 . . . . 1.32 110.878 177.52 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -79.19 -42.94 24.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.707 -0.679 . . . . 2.5 110.356 176.347 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -144.12 94.58 5.78 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.082 -0.508 . . . . 2.39 109.968 179.462 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . 0.429 ' HA ' HG23 ' A' ' 105' ' ' ILE . 56.3 Cg_endo -71.13 0.76 6.17 Favored 'Trans proline' 0 N--CA 1.462 -0.365 0 C-N-CA 123.033 2.488 . . . . 0.9 112.869 -177.661 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 29.0 p -72.44 -25.87 61.62 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.558 0.694 . . . . 1.47 109.852 173.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . 0.547 ' HB2' ' HD2' ' A' ' 106' ' ' LYS . 4.9 m-20 -94.48 56.28 2.09 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.056 -0.974 . . . . 1.59 111.102 -177.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.427 HG23 HG12 ' A' ' 105' ' ' ILE . 15.0 p -65.41 159.6 4.0 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.961 0 CA-C-N 115.97 -0.559 . . . . 1.6 109.786 174.403 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.516 ' HB2' ' NH2' ' A' ' 26' ' ' ARG . 41.1 tt0 -155.24 137.55 14.87 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.511 -0.551 . . . . 2.78 109.511 -176.51 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 39.1 m -130.53 121.67 26.17 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.308 0.575 . . . . 0.53 112.121 -176.765 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' TYR . . . . . 0.437 ' CE2' ' HE1' ' A' ' 104' ' ' HIS . 4.5 m-30 -102.01 155.0 18.45 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 106.715 -1.587 . . . . 0.96 106.715 168.333 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . 0.511 ' O ' ' HA ' ' A' ' 127' ' ' MET . 12.6 pt-20 -139.74 122.88 16.86 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 119.319 0.963 . . . . 1.27 109.046 175.287 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . 0.437 ' HD1' HD11 ' A' ' 125' ' ' LEU . 97.5 m-85 -98.03 111.54 23.82 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.282 0.563 . . . . 0.6 111.348 -173.103 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 18.0 ttm180 -114.17 144.7 42.75 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 115.032 -0.986 . . . . 3.41 109.767 178.715 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . 0.479 ' HD3' ' O ' ' A' ' 6' ' ' LYS . 8.6 tpt180 -102.06 101.39 11.74 Favored 'General case' 0 C--N 1.32 -0.697 0 C-N-CA 120.433 -0.507 . . . . 1.96 110.114 179.677 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -97.78 82.2 3.0 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.389 0.614 . . . . 1.08 109.625 179.23 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 71.2 -112.77 4.35 Favored Glycine 0 N--CA 1.444 -0.771 0 CA-C-N 115.121 -0.945 . . . . 0.92 112.399 179.749 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -91.47 -10.16 41.89 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.114 0.483 . . . . 2.31 110.689 -176.517 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 61.5 m-85 -107.93 135.45 49.29 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.116 0.484 . . . . 0.67 111.537 -175.311 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.437 HD11 ' HD1' ' A' ' 118' ' ' TYR . 3.1 tm? -82.64 113.5 20.38 Favored 'General case' 0 N--CA 1.443 -0.778 0 N-CA-C 107.033 -1.469 . . . . 1.03 107.033 170.45 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 88.9 t -117.66 129.08 74.65 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.009 0 N-CA-C 109.267 -0.642 . . . . 0.47 109.267 -170.648 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' MET . . . . . 0.609 ' SD ' ' HE3' ' A' ' 43' ' ' LYS . 26.2 ptm -128.89 150.32 50.4 Favored 'General case' 0 C--N 1.305 -1.335 0 C-N-CA 120.306 -0.558 . . . . 1.08 110.577 -175.541 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . 0.458 ' HA ' ' O ' ' A' ' 136' ' ' THR . 40.1 ttmt -122.78 133.95 54.44 Favored 'General case' 0 C--N 1.31 -1.135 0 CA-C-N 115.444 -0.798 . . . . 2.2 109.229 -179.107 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 25.8 mtp -126.16 121.45 32.86 Favored 'General case' 0 C--N 1.313 -0.984 0 N-CA-C 107.648 -1.241 . . . . 1.11 107.648 178.43 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 2.6 m -128.9 137.53 51.48 Favored 'General case' 0 C--N 1.321 -0.634 0 C-N-CA 120.051 -0.66 . . . . 1.06 111.813 -173.45 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 131' ' ' TRP . . . . . . . . . . . . . 44.0 t-105 -149.52 133.37 16.97 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.197 -0.911 . . . . 0.76 109.8 175.469 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 67.9 mttm 55.87 33.11 20.96 Favored 'General case' 0 C--N 1.327 -0.382 0 O-C-N 123.532 0.52 . . . . 1.96 111.143 -176.314 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 82.63 -28.21 3.57 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.967 -0.635 . . . . 0.53 112.446 -176.636 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 20.4 t -69.44 106.75 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 121.07 0.462 . . . . 0.43 109.838 -179.487 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 1.6 m -105.91 153.04 22.53 Favored 'General case' 0 N--CA 1.436 -1.148 0 CA-C-N 115.785 -0.643 . . . . 1.14 110.98 -176.206 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 136' ' ' THR . . . . . 0.458 ' O ' ' HA ' ' A' ' 128' ' ' LYS . 9.2 t -135.48 138.18 42.88 Favored 'General case' 0 C--N 1.313 -0.981 0 CA-C-N 115.456 -0.793 . . . . 0.4 110.058 174.652 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 137' ' ' SER . . . . . 0.505 ' HA ' ' O ' ' A' ' 127' ' ' MET . 14.8 m -109.95 106.89 16.6 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 121.36 0.6 . . . . 0.79 109.874 174.524 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 138' ' ' ARG . . . . . 0.425 ' HG2' ' CE2' ' A' ' 140' ' ' TYR . 6.7 tpt180 -83.3 124.91 31.07 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.356 -0.838 . . . . 1.84 108.861 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 88.4 m-85 -98.28 110.47 23.05 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-O 120.859 0.361 . . . . 0.64 111.656 -174.146 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 140' ' ' TYR . . . . . 0.575 ' HE2' ' SD ' ' A' ' 127' ' ' MET . 97.6 m-85 -111.34 143.94 41.32 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.017 -0.538 . . . . 0.6 110.499 174.802 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 141' ' ' LYS . . . . . 0.492 ' HG3' ' O ' ' A' ' 142' ' ' LYS . 17.0 ptpt -118.21 167.78 11.19 Favored 'General case' 0 C--O 1.208 -1.101 0 N-CA-C 107.261 -1.385 . . . . 1.92 107.261 172.779 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 142' ' ' LYS . . . . . 0.492 ' O ' ' HG3' ' A' ' 141' ' ' LYS . 88.2 tttt -56.82 161.64 2.78 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 119.409 1.004 . . . . 2.13 110.443 172.863 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . 0.632 HE21 ' CG ' ' A' ' 12' ' ' LYS . 2.2 mt-30 . . . . . 0 C--O 1.249 1.057 0 O-C-N 121.201 -0.937 . . . . 1.46 109.931 165.34 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.445 -0.69 0 CA-C-O 120.75 0.31 . . . . 0.99 111.296 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.449 HD23 ' HA ' ' A' ' 3' ' ' LEU . 1.6 mt -60.87 125.28 82.91 Favored Pre-proline 0 C--N 1.326 -0.435 0 CA-C-N 115.881 -0.599 . . . . 0.59 111.577 178.472 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_exo -57.33 132.62 52.02 Favored 'Trans proline' 0 N--CA 1.462 -0.329 0 C-N-CA 122.523 2.149 . . . . 0.61 110.815 171.545 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . 0.451 ' HA ' HD12 ' A' ' 8' ' ' LEU . 4.6 p-10 -61.64 -18.01 57.71 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.404 -0.362 . . . . 2.19 111.775 -174.64 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 31.6 mmtp -62.93 -26.13 68.66 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 111.594 0.22 . . . . 2.53 111.594 175.761 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 48.1 m-85 -92.44 -5.8 51.21 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.733 -0.387 . . . . 0.6 109.987 178.505 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.539 HD23 ' HB3' ' A' ' 45' ' ' PHE . 97.8 mt -98.72 155.95 17.08 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-O 121.269 0.557 . . . . 0.46 111.148 -174.827 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 119.05 172.37 15.26 Favored Glycine 0 N--CA 1.441 -0.97 0 CA-C-N 115.255 -0.884 . . . . 0.52 111.681 -179.194 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 6.9 m -98.56 124.01 43.06 Favored 'General case' 0 C--N 1.317 -0.848 0 N-CA-C 109.636 -0.505 . . . . 1.05 109.636 176.568 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 75.7 m-85 -114.06 132.9 55.86 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.252 -0.431 . . . . 0.47 111.552 -175.159 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.615 ' HG2' ' O ' ' A' ' 142' ' ' LYS . 19.9 ptpt -91.78 -161.81 0.86 Allowed 'General case' 0 CA--C 1.535 0.379 0 N-CA-C 109.69 -0.485 . . . . 2.19 109.69 169.14 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.1 tt -131.63 124.97 31.02 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 108.726 -0.842 . . . . 1.14 108.726 -172.492 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.437 ' HB2' ' HE3' ' A' ' 141' ' ' LYS . 42.9 tt0 -99.02 -51.59 3.81 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 121.07 -0.252 . . . . 2.08 111.14 -179.715 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 13.0 ptm180 -148.12 -176.59 5.34 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.928 0.394 . . . . 3.36 111.051 -177.647 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.438 ' OD2' ' HB2' ' A' ' 19' ' ' PHE . 18.1 t70 -145.14 166.11 26.35 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.866 -0.606 . . . . 1.19 109.502 -172.366 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -159.34 116.0 2.63 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 117.811 0.278 . . . . 2.66 111.544 -179.426 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.9 t30 68.69 24.4 6.77 Favored 'General case' 0 N--CA 1.476 0.834 0 CA-C-O 121.434 0.635 . . . . 0.76 112.053 170.559 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.459 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 11.9 t80 -75.76 -37.87 58.9 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.717 -0.674 . . . . 0.49 111.1 -174.342 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -58.04 -49.03 78.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.612 0.244 . . . . 2.04 110.577 179.287 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -61.67 -37.54 84.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.391 -0.368 . . . . 1.79 111.056 179.174 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 87.3 t80 -59.26 -39.15 81.97 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 120.723 -0.391 . . . . 0.57 110.416 174.108 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.459 ' HG ' ' O ' ' A' ' 19' ' ' PHE . 90.1 mt -69.39 -37.81 77.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.37 -0.377 . . . . 0.37 110.437 -178.59 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 8.2 mtpm? -63.36 -48.69 76.88 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.987 -0.551 . . . . 1.88 109.736 177.709 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.447 ' HB1' ' HB2' ' A' ' 132' ' ' LYS . . . -59.55 -39.48 84.13 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.189 -0.914 . . . . 0.44 111.116 176.87 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.545 ' HA ' ' CD1' ' A' ' 131' ' ' TRP . 15.4 mmm180 -67.01 -14.84 63.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.857 -0.611 . . . . 1.29 111.959 -179.485 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 95.65 20.3 27.13 Favored Glycine 0 N--CA 1.445 -0.711 0 C-N-CA 120.448 -0.882 . . . . 0.62 112.533 179.542 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 66.5 m-85 -90.15 125.81 35.58 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.881 0.372 . . . . 0.64 110.022 177.183 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -76.53 -172.81 35.83 Favored Glycine 0 N--CA 1.445 -0.751 0 C-N-CA 120.954 -0.641 . . . . 1.54 111.775 178.658 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.46 ' O ' ' HG2' ' A' ' 34' ' ' GLN . 64.8 t90 -53.97 -45.5 71.38 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 111.962 0.356 . . . . 1.18 111.962 -176.314 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.765 ' H ' HD12 ' A' ' 31' ' ' ILE . 3.7 mp -58.53 -56.05 18.86 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.74 0 CA-C-O 121.609 0.718 . . . . 2.16 109.941 -174.856 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -66.71 -31.29 71.85 Favored 'General case' 0 N--CA 1.43 -1.437 0 CA-C-N 114.85 -1.068 . . . . 0.97 111.032 -176.171 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.414 ' HA ' HD13 ' A' ' 23' ' ' LEU . 35.9 ttp180 -69.74 -22.2 63.39 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.058 -0.519 . . . . 1.87 110.187 178.42 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.626 ' O ' HD23 ' A' ' 38' ' ' LEU . 26.1 mm-40 -83.69 -27.77 28.79 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.768 -0.651 . . . . 1.97 110.826 175.745 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.474 HG13 ' HG3' ' A' ' 64' ' ' LYS . 57.4 t -85.39 -67.93 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-O 121.16 0.505 . . . . 0.68 110.866 -178.549 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.489 ' H ' HG13 ' A' ' 36' ' ' ILE . 28.7 mt -50.48 -38.84 16.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 114.885 -1.052 . . . . 0.51 113.089 -175.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 25.8 ttpp -77.45 -20.9 53.78 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-O 120.851 0.357 . . . . 0.97 111.645 -174.592 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.626 HD23 ' O ' ' A' ' 34' ' ' GLN . 3.9 mm? -104.73 -1.57 26.05 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.139 0.495 . . . . 2.08 110.409 -177.275 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -76.55 120.14 21.34 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.541 -0.754 . . . . 1.03 110.721 179.613 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.615 ' O ' ' HA ' ' A' ' 62' ' ' THR . . . -70.1 136.06 26.61 Favored Glycine 0 N--CA 1.443 -0.891 0 N-CA-C 110.462 -1.055 . . . . 0.84 110.462 174.09 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 78.4 t -122.99 126.0 73.07 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 CA-C-O 121.207 0.527 . . . . 1.3 110.858 -174.072 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 77.7 m -107.16 108.36 19.77 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.454 -0.794 . . . . 0.45 109.872 176.063 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 13.8 tptt -87.82 118.48 27.37 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.117 -0.697 . . . . 0.79 109.117 -179.169 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.523 ' O ' ' HA ' ' A' ' 58' ' ' MET . 3.3 ttpm? -121.83 121.8 38.02 Favored 'General case' 0 C--N 1.322 -0.591 0 C-N-CA 120.126 -0.63 . . . . 1.96 111.368 -177.799 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.539 ' HB3' HD23 ' A' ' 8' ' ' LEU . 60.6 m-85 -121.97 147.24 46.3 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.609 -0.723 . . . . 0.54 109.216 174.214 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 15.9 ptp180 179.65 -178.01 0.37 Allowed 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 110.317 -0.253 . . . . 3.17 110.317 175.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 32.9 m-80 -63.41 154.92 30.54 Favored 'General case' 0 C--N 1.319 -0.728 0 O-C-N 123.679 0.612 . . . . 1.85 109.569 173.441 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.403 ' HA ' ' HB2' ' A' ' 57' ' ' ASP . . . -51.49 142.22 14.3 Favored 'General case' 0 CA--C 1.52 -0.174 0 CA-C-O 120.797 0.332 . . . . 0.87 111.167 -177.485 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -47.81 -58.98 3.67 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 113.726 1.01 . . . . 1.48 113.726 -170.439 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 11.1 t -65.38 -38.27 89.51 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 108.977 -0.749 . . . . 2.37 108.977 -178.041 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 123.88 23.98 1.95 Allowed Glycine 0 N--CA 1.448 -0.54 0 CA-C-N 114.963 -1.017 . . . . 1.91 112.684 173.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 63.8 mttm -71.93 129.21 88.35 Favored Pre-proline 0 C--N 1.326 -0.426 0 N-CA-C 109.847 -0.427 . . . . 3.17 109.847 178.511 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.582 ' O ' ' HB3' ' A' ' 54' ' ' ASP . 41.8 Cg_endo -66.65 150.5 83.7 Favored 'Trans proline' 0 C--O 1.234 0.297 0 C-N-CA 122.725 2.283 . . . . 1.84 112.669 -176.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.582 ' HB3' ' O ' ' A' ' 53' ' ' PRO . 9.1 t0 88.19 -60.16 0.03 OUTLIER 'General case' 0 CA--C 1.514 -0.427 0 O-C-N 124.645 1.216 . . . . 2.44 109.295 177.764 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 71.3 mtt180 -68.04 143.03 55.7 Favored 'General case' 0 C--N 1.313 -1.001 0 CA-C-O 122.011 0.91 . . . . 4.1 112.297 176.575 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 76.3 m-85 -118.97 178.91 4.32 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 114.474 -1.239 . . . . 0.97 110.073 -179.309 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.403 ' HB2' ' HA ' ' A' ' 48' ' ' ALA . 24.4 t70 -127.87 133.56 49.34 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.66 -0.7 . . . . 1.1 109.735 -177.025 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.523 ' HA ' ' O ' ' A' ' 44' ' ' LYS . 1.1 tmt? -135.86 138.14 42.18 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.156 -0.683 . . . . 0.98 109.156 178.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 59.3 tt0 -147.16 148.5 31.61 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 120.868 0.366 . . . . 1.11 111.499 -174.129 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.569 ' HB2' ' OG1' ' A' ' 67' ' ' THR . 34.7 m-80 -127.41 105.0 8.22 Favored 'General case' 0 CA--C 1.515 -0.374 0 CA-C-N 115.705 -0.68 . . . . 1.17 109.629 178.284 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 82.9 mt -100.16 123.81 44.83 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 109.881 -0.414 . . . . 1.67 109.881 176.329 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.615 ' HA ' ' O ' ' A' ' 40' ' ' GLY . 43.7 p -125.05 -153.78 0.58 Allowed 'General case' 0 N--CA 1.444 -0.76 0 CA-C-O 120.869 0.366 . . . . 0.45 110.392 -175.189 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 68.0 p -101.73 -35.26 9.14 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-N 116.156 -0.475 . . . . 0.54 110.985 -179.761 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.474 ' HG3' HG13 ' A' ' 35' ' ' VAL . 74.5 mmtt -120.06 4.94 10.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.006 -0.543 . . . . 2.24 111.562 -174.731 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.665 ' HG3' ' H ' ' A' ' 66' ' ' ASP . 29.7 tptt -146.92 -156.99 0.76 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.972 0.415 . . . . 1.82 110.662 -178.844 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.665 ' H ' ' HG3' ' A' ' 65' ' ' LYS . 3.0 t70 167.75 129.67 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.06 -0.973 . . . . 2.12 108.738 -169.257 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.569 ' OG1' ' HB2' ' A' ' 60' ' ' ASN . 23.7 p -146.88 140.63 25.84 Favored 'General case' 0 C--N 1.311 -1.081 0 N-CA-C 108.94 -0.763 . . . . 0.56 108.94 177.258 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 8.4 t-160 -140.75 96.99 3.1 Favored 'General case' 0 C--N 1.313 -1.019 0 CA-C-O 121.164 0.507 . . . . 1.95 109.945 -177.305 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 18.7 m-70 -70.69 88.33 0.7 Allowed 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.363 -0.835 . . . . 0.39 108.806 176.457 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 43.6 mttm -78.49 115.6 18.31 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.443 -0.799 . . . . 2.3 112.619 -176.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 61.37 76.97 0.35 Allowed 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 115.4 -0.818 . . . . 2.07 112.215 169.133 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 66.5 p-90 -122.11 145.0 48.59 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.609 -0.723 . . . . 0.43 109.897 176.546 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -101.87 146.53 27.7 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 110.102 -0.333 . . . . 0.55 110.102 176.755 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.6 tt -56.71 119.12 5.63 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.092 0.472 . . . . 1.71 110.036 174.683 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 88.86 23.98 33.95 Favored Glycine 0 N--CA 1.447 -0.579 0 CA-C-N 115.652 -0.704 . . . . 0.59 112.417 -175.117 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -119.94 131.72 55.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.383 0.611 . . . . 2.37 111.316 -178.291 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -97.71 121.92 40.18 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 114.965 -1.016 . . . . 1.4 110.182 177.126 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 38.9 p90 -133.48 157.49 45.49 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 110.026 -0.361 . . . . 0.57 110.026 -178.146 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.408 HE21 ' HB2' ' A' ' 79' ' ' GLN . 7.6 tt0 -90.67 151.14 21.39 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.425 -0.584 . . . . 1.95 109.425 175.58 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.512 ' HB3' HD12 ' A' ' 90' ' ' ILE . 14.9 t70 -156.79 160.83 39.6 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.581 -0.281 . . . . 1.26 110.323 -168.31 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -101.18 87.26 3.2 Favored 'General case' 0 CA--C 1.515 -0.374 0 CA-C-O 122.13 0.967 . . . . 2.13 108.745 175.41 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.426 ' HB3' ' NE2' ' A' ' 88' ' ' HIS . . . -75.99 172.28 13.02 Favored 'General case' 0 C--N 1.309 -1.163 0 CA-C-N 114.356 -1.293 . . . . 0.95 113.093 -166.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 12.4 mt -53.11 -34.53 57.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.817 -0.629 . . . . 1.34 111.105 -176.737 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -78.62 20.71 0.42 Allowed 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.226 -0.897 . . . . 1.55 112.276 -174.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 20.4 m 65.39 28.47 11.71 Favored 'General case' 0 C--O 1.235 0.329 0 N-CA-C 112.999 0.74 . . . . 1.21 112.999 164.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 13.5 p -138.52 163.39 32.1 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 116.542 -0.299 . . . . 0.93 110.343 177.634 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 12.6 mm-40 -98.43 118.75 35.81 Favored 'General case' 0 CA--C 1.507 -0.69 0 N-CA-C 107.27 -1.382 . . . . 1.88 107.27 176.592 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . 0.739 ' HB2' ' O ' ' A' ' 105' ' ' ILE . 23.9 p80 -153.88 170.63 20.54 Favored 'General case' 0 C--N 1.311 -1.079 0 C-N-CA 119.71 -0.796 . . . . 1.04 111.903 -178.567 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.463 ' H ' HG13 ' A' ' 107' ' ' VAL . 20.4 ptmt -75.5 142.77 42.82 Favored 'General case' 0 N--CA 1.446 -0.655 0 CA-C-N 115.326 -0.852 . . . . 1.49 110.861 -173.019 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.512 HD12 ' HB3' ' A' ' 80' ' ' ASP . 40.1 mt -139.81 128.91 28.01 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.775 0 CA-C-N 115.503 -0.771 . . . . 0.54 110.67 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 38.3 m -110.53 131.36 55.12 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 116.359 -0.382 . . . . 0.43 110.304 174.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -113.38 127.9 56.28 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 108.997 -0.742 . . . . 0.6 108.997 174.737 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -165.1 173.1 11.81 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 110.065 -0.346 . . . . 1.69 110.065 -177.659 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.418 HD22 ' HG ' ' A' ' 100' ' ' LEU . 2.6 mm? -108.31 120.24 41.81 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.925 -0.579 . . . . 1.12 109.685 179.403 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 56.7 tptt -86.69 -46.6 9.89 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 108.388 -0.967 . . . . 3.03 108.388 -179.588 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -133.0 163.25 52.43 Favored Pre-proline 0 C--N 1.319 -0.725 0 N-CA-C 107.745 -1.206 . . . . 1.79 107.745 172.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 16.5 Cg_exo -69.74 6.61 1.24 Allowed 'Trans proline' 0 CA--C 1.528 0.178 0 C-N-CA 122.763 2.309 . . . . 0.98 111.958 -178.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 62.7 t30 -134.15 17.11 3.77 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.5 -0.773 . . . . 2.32 109.481 177.475 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.47 ' HA ' ' O ' ' A' ' 118' ' ' TYR . 51.7 m -152.7 106.51 3.08 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-O 121.153 0.502 . . . . 0.56 112.094 -177.03 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.585 HD23 ' N ' ' A' ' 101' ' ' THR . 4.6 tt -88.68 135.77 33.34 Favored 'General case' 0 C--O 1.223 -0.328 0 N-CA-C 107.762 -1.199 . . . . 1.1 107.762 172.433 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.585 ' N ' HD23 ' A' ' 100' ' ' LEU . 1.4 p -116.51 133.0 56.53 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 118.563 0.619 . . . . 0.41 112.125 -177.707 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -109.67 102.31 11.15 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-N 115.559 -0.746 . . . . 1.31 109.346 171.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 26.7 m -92.39 102.81 15.29 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 109.435 -0.58 . . . . 0.51 109.435 178.363 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' HIS . . . . . 0.457 ' HB3' HG12 ' A' ' 90' ' ' ILE . 5.9 p80 -114.1 114.98 26.82 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.506 0.67 . . . . 1.69 111.401 -176.381 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.739 ' O ' ' HB2' ' A' ' 88' ' ' HIS . 50.0 mt -116.38 129.72 72.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 114.628 -1.169 . . . . 0.75 111.003 -176.144 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.545 ' HB2' ' O ' ' A' ' 109' ' ' ASP . 21.4 mmtm -58.63 109.25 0.76 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.026 -0.533 . . . . 1.61 110.868 173.241 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.463 HG13 ' H ' ' A' ' 89' ' ' LYS . 20.9 m -59.8 -22.19 23.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.249 -0.432 . . . . 1.32 112.048 177.151 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -95.52 -45.99 6.85 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.47 -0.332 . . . . 2.5 111.0 -177.289 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . 0.545 ' O ' ' HB2' ' A' ' 106' ' ' LYS . 23.6 m-20 -132.3 88.82 38.82 Favored Pre-proline 0 CA--C 1.514 -0.412 0 CA-C-O 120.943 0.401 . . . . 2.39 109.993 175.118 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -69.7 19.74 0.18 Allowed 'Trans proline' 0 C--N 1.335 -0.176 0 C-N-CA 123.538 2.825 . . . . 0.9 113.139 -175.416 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . 0.432 ' H ' ' C ' ' A' ' 109' ' ' ASP . 76.0 p -85.96 -30.53 22.71 Favored 'General case' 0 N--CA 1.443 -0.8 0 CA-C-N 116.086 -0.507 . . . . 1.47 110.355 174.053 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . 0.478 ' HB3' ' HG3' ' A' ' 106' ' ' LYS . 23.0 t70 -97.83 52.6 1.08 Allowed 'General case' 0 CA--C 1.532 0.251 0 CA-C-O 121.563 0.697 . . . . 1.59 110.878 -176.748 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.448 ' CG1' HG12 ' A' ' 105' ' ' ILE . 14.5 m -84.65 169.82 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.815 0 CA-C-N 115.999 -0.546 . . . . 1.6 111.544 178.468 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -165.68 161.14 18.0 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.363 -0.606 . . . . 2.78 109.363 172.283 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 26.1 m -131.82 116.45 17.25 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-O 120.999 0.428 . . . . 0.53 110.467 177.439 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' TYR . . . . . 0.414 ' HB3' ' HE3' ' A' ' 127' ' ' MET . 19.5 m-30 -89.15 142.87 27.27 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 107.839 -1.171 . . . . 0.96 107.839 176.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -132.1 116.59 17.22 Favored 'General case' 0 N--CA 1.448 -0.54 0 N-CA-C 108.262 -1.014 . . . . 1.27 108.262 -173.663 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . 0.514 ' HB2' ' HB3' ' A' ' 100' ' ' LEU . 68.2 m-85 -93.22 114.35 26.81 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 116.423 -0.353 . . . . 0.6 110.515 -175.805 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 42.5 ttp180 -117.88 151.81 36.65 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.232 -0.44 . . . . 3.41 110.111 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . 0.531 ' NH2' ' HA ' ' A' ' 123' ' ' ASP . 15.0 mmm180 -108.0 130.16 55.08 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.964 0.411 . . . . 1.96 110.991 178.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -130.56 109.52 10.73 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.281 -0.637 . . . . 1.08 109.281 176.17 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 71.21 -101.24 0.94 Allowed Glycine 0 N--CA 1.448 -0.546 0 N-CA-C 111.303 -0.719 . . . . 0.92 111.303 -175.224 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . 0.531 ' HA ' ' NH2' ' A' ' 120' ' ' ARG . 28.3 t70 -134.7 24.27 3.68 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 122.006 0.908 . . . . 2.31 109.6 174.83 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 87.9 m-85 -111.75 140.73 46.14 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.425 -0.807 . . . . 0.67 110.617 -179.672 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -83.14 111.43 18.9 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 107.855 -1.165 . . . . 1.03 107.855 171.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 59.3 t -103.08 115.93 45.93 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.986 0 N-CA-C 109.639 -0.504 . . . . 0.47 109.639 -173.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' MET . . . . . 0.649 ' O ' ' HA ' ' A' ' 137' ' ' SER . 8.3 tpt -82.78 123.13 29.04 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-N 115.393 -0.821 . . . . 1.08 110.375 -176.647 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 24.0 tptp -113.49 110.81 20.88 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 109.508 -0.553 . . . . 2.2 109.508 -177.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 48.1 mtp -131.13 148.6 52.74 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 108.711 -0.848 . . . . 1.11 108.711 -179.067 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 2.2 p -160.12 127.2 4.45 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.85 0.357 . . . . 1.06 111.631 -176.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 131' ' ' TRP . . . . . 0.545 ' CD1' ' HA ' ' A' ' 26' ' ' ARG . 57.5 t-105 -141.07 134.76 30.21 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.957 -0.565 . . . . 0.76 109.796 -179.443 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . 0.52 ' HD3' ' CD1' ' A' ' 131' ' ' TRP . 6.1 mptp? 52.45 38.26 24.94 Favored 'General case' 0 N--CA 1.462 0.149 0 O-C-N 123.561 0.538 . . . . 1.96 111.239 -174.411 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 79.71 -10.84 36.45 Favored Glycine 0 CA--C 1.521 0.462 0 C-N-CA 121.069 -0.586 . . . . 0.53 113.683 179.041 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 43.9 t -87.72 105.68 15.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 117.1 0.45 . . . . 0.43 110.162 -179.702 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 1.5 m -92.73 151.43 20.06 Favored 'General case' 0 N--CA 1.437 -1.125 0 CA-C-O 121.185 0.517 . . . . 1.14 111.141 -179.59 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 5.0 t -139.47 150.07 44.74 Favored 'General case' 0 C--N 1.313 -1.019 0 CA-C-N 115.157 -0.929 . . . . 0.4 109.389 176.157 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 137' ' ' SER . . . . . 0.649 ' HA ' ' O ' ' A' ' 127' ' ' MET . 19.5 m -136.98 95.67 3.16 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.972 0.415 . . . . 0.79 110.384 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 138' ' ' ARG . . . . . 0.41 ' HD2' ' CE1' ' A' ' 19' ' ' PHE . 33.8 mtp180 -79.3 136.95 37.17 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.962 -0.755 . . . . 1.84 108.962 177.696 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 84.3 m-85 -100.56 106.53 18.05 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 121.36 0.6 . . . . 0.64 111.308 -175.488 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 87.5 m-85 -103.36 135.54 44.79 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 114.902 -1.044 . . . . 0.6 109.871 179.728 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 141' ' ' LYS . . . . . 0.534 ' HG3' ' O ' ' A' ' 142' ' ' LYS . 17.6 ptpt -113.09 168.5 9.65 Favored 'General case' 0 C--N 1.311 -1.069 0 N-CA-C 107.893 -1.151 . . . . 1.92 107.893 175.869 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 142' ' ' LYS . . . . . 0.615 ' O ' ' HG2' ' A' ' 12' ' ' LYS . 45.5 tttp -54.9 165.95 0.57 Allowed 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 118.441 0.564 . . . . 2.13 110.383 170.634 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . 0.546 ' NE2' ' HB3' ' A' ' 12' ' ' LYS . 52.8 mm-40 . . . . . 0 C--O 1.249 1.035 0 O-C-N 121.121 -0.987 . . . . 1.46 110.968 167.198 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 19.0 m . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.046 -0.353 . . . . 0.99 110.046 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.644 HD23 ' HD2' ' A' ' 4' ' ' PRO . 0.1 OUTLIER -60.13 117.09 20.64 Favored Pre-proline 0 C--O 1.235 0.328 0 CA-C-N 116.178 -0.464 . . . . 0.59 111.348 -172.863 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . 0.644 ' HD2' HD23 ' A' ' 3' ' ' LEU . 31.9 Cg_exo -57.82 128.89 30.82 Favored 'Trans proline' 0 N--CA 1.461 -0.419 0 C-N-CA 122.989 2.459 . . . . 0.61 111.419 173.598 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -54.76 -25.95 31.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.705 -0.68 . . . . 2.19 111.899 -179.341 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 57.6 mtpt -59.0 -19.85 47.45 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.408 0.522 . . . . 2.53 112.408 178.362 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.5 ' CE1' ' HG2' ' A' ' 120' ' ' ARG . 48.9 m-85 -96.09 5.75 50.41 Favored 'General case' 0 C--N 1.327 -0.4 0 O-C-N 122.165 -0.334 . . . . 0.6 111.43 179.87 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.522 HD23 ' HB3' ' A' ' 45' ' ' PHE . 97.2 mt -99.8 143.28 30.2 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.076 0.465 . . . . 0.46 111.752 -174.661 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 131.6 -179.74 16.84 Favored Glycine 0 N--CA 1.449 -0.481 0 CA-C-N 115.538 -0.755 . . . . 0.52 112.552 179.754 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.513 HG22 ' HG3' ' A' ' 143' ' ' GLN . 96.4 m -105.94 122.62 46.5 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.803 0.335 . . . . 1.05 110.171 177.637 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.42 ' HA ' ' HA ' ' A' ' 142' ' ' LYS . 77.7 m-85 -119.19 134.11 55.39 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.124 -0.489 . . . . 0.47 110.842 -176.396 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.486 ' HB3' ' CD ' ' A' ' 143' ' ' GLN . 0.0 OUTLIER -97.16 133.67 41.49 Favored 'General case' 0 C--O 1.234 0.282 0 C-N-CA 120.019 -0.673 . . . . 2.19 111.037 174.096 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 52.0 tp -59.72 129.15 40.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.753 -0.658 . . . . 1.14 110.904 174.429 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -104.58 -50.81 3.22 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.215 -0.448 . . . . 2.08 110.543 177.273 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 16.2 ptp180 -154.77 -179.03 7.63 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.547 -0.297 . . . . 3.36 110.552 -173.65 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.413 ' HA ' ' HA ' ' A' ' 138' ' ' ARG . 3.2 p30 -148.63 176.77 10.06 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.503 -0.317 . . . . 1.19 110.714 178.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -148.44 113.92 5.62 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.116 -0.493 . . . . 2.66 110.401 -178.761 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 44.9 t30 72.08 24.64 3.15 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-O 121.551 0.691 . . . . 0.76 111.263 175.293 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.484 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 14.0 t80 -73.61 -37.67 65.34 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.625 -0.716 . . . . 0.49 110.374 -175.08 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -52.09 -57.51 9.35 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.183 -0.462 . . . . 2.04 111.336 175.524 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 43.7 mm-40 -52.55 -42.41 64.4 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 115.769 -0.651 . . . . 1.79 110.897 177.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 89.5 t80 -58.65 -40.86 84.63 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 116.304 -0.407 . . . . 0.57 111.237 177.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.484 ' HG ' ' O ' ' A' ' 19' ' ' PHE . 96.5 mt -62.58 -44.11 97.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.038 0.447 . . . . 0.37 110.802 -178.464 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 55.9 mtmt -67.07 -40.47 87.06 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.86 -0.609 . . . . 1.88 110.674 179.718 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.5 -40.08 95.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.758 -0.655 . . . . 0.44 111.177 178.192 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 13.2 mmm180 -73.9 -7.11 51.04 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.824 -0.625 . . . . 1.29 111.556 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 94.58 11.1 57.36 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.536 -0.84 . . . . 0.62 112.895 174.298 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 74.6 m-85 -73.93 124.22 25.76 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-O 120.834 0.35 . . . . 0.64 110.099 179.06 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.515 ' O ' ' HG3' ' A' ' 33' ' ' ARG . . . -81.08 -177.13 51.45 Favored Glycine 0 N--CA 1.447 -0.6 0 N-CA-C 111.338 -0.705 . . . . 1.54 111.338 177.327 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 42.0 t90 -48.29 -46.08 35.64 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 111.727 0.269 . . . . 1.18 111.727 -177.212 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.817 ' H ' HD12 ' A' ' 31' ' ' ILE . 3.6 mp -51.8 -58.6 2.08 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.971 0 O-C-N 123.705 0.628 . . . . 2.16 110.087 -173.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 55.0 mmm -69.45 -39.71 77.59 Favored 'General case' 0 N--CA 1.422 -1.833 0 CA-C-N 115.179 -0.919 . . . . 0.97 111.058 -175.199 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.515 ' HG3' ' O ' ' A' ' 29' ' ' GLY . 44.9 mtm-85 -57.48 -42.32 82.39 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 120.919 -0.312 . . . . 1.87 111.324 -177.809 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.565 ' HG3' ' O ' ' A' ' 31' ' ' ILE . 0.0 OUTLIER -73.9 -35.3 64.64 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.632 -0.427 . . . . 1.97 110.721 -177.679 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.413 ' CG1' ' HG3' ' A' ' 64' ' ' LYS . 69.2 t -71.39 -51.19 35.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 121.154 0.502 . . . . 0.68 110.567 178.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 96.0 mt -52.78 -39.98 33.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.012 -0.995 . . . . 0.51 112.589 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.427 ' HG3' ' O ' ' A' ' 33' ' ' ARG . 61.5 mttm -63.22 -36.87 85.1 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 121.064 0.459 . . . . 0.97 111.45 178.228 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 46.2 mt -86.77 -5.12 59.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.07 -0.514 . . . . 2.08 111.57 -173.789 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -82.33 111.78 18.7 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.403 -0.362 . . . . 1.03 111.325 -177.212 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.453 ' O ' ' HA ' ' A' ' 62' ' ' THR . . . -69.29 137.1 28.99 Favored Glycine 0 N--CA 1.449 -0.443 0 N-CA-C 110.544 -1.022 . . . . 0.84 110.544 172.069 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 28.3 t -121.64 127.94 75.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-O 121.247 0.546 . . . . 1.3 112.003 -171.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 22.5 m -117.53 119.54 35.35 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.554 -0.748 . . . . 0.45 110.209 173.803 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.49 ' HZ3' ' ND2' ' A' ' 60' ' ' ASN . 69.5 mmtt -97.38 135.56 39.1 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.862 -0.421 . . . . 0.79 109.862 178.746 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.56 ' O ' ' HA ' ' A' ' 58' ' ' MET . 27.9 mtpp -133.18 131.78 40.8 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.708 0.289 . . . . 1.96 111.447 -178.13 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.566 ' CE2' ' HG3' ' A' ' 58' ' ' MET . 53.2 m-85 -129.51 142.95 50.66 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.718 -0.674 . . . . 0.54 109.382 172.536 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 12.7 ptm180 -162.47 166.53 24.81 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 120.795 0.331 . . . . 3.17 110.497 173.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -69.75 136.35 50.83 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 108.15 -1.055 . . . . 1.85 108.15 172.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.713 ' HB3' ' CG ' ' A' ' 55' ' ' ARG . . . -73.53 175.09 7.37 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.116 0.484 . . . . 0.87 111.598 -174.871 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -128.84 -15.6 4.32 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.62 -0.718 . . . . 1.48 111.108 -174.364 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 22.9 t -49.91 -22.34 1.49 Allowed 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 115.33 -0.85 . . . . 2.37 111.575 174.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 94.32 9.3 59.28 Favored Glycine 0 CA--C 1.52 0.39 0 C-N-CA 120.632 -0.794 . . . . 1.91 114.406 171.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.69 ' O ' ' HB3' ' A' ' 55' ' ' ARG . 4.1 mppt? -104.17 104.03 41.64 Favored Pre-proline 0 C--O 1.214 -0.789 0 CA-C-N 117.858 0.829 . . . . 3.17 110.107 177.811 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.408 ' C ' ' H ' ' A' ' 55' ' ' ARG . 9.6 Cg_endo -49.82 151.14 8.5 Favored 'Trans proline' 0 N--CA 1.474 0.352 0 C-N-CA 123.242 2.628 . . . . 1.84 113.256 -168.106 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 14.3 t70 84.77 -21.9 0.23 Allowed 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 124.52 1.128 . . . . 2.44 108.954 -174.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.713 ' CG ' ' HB3' ' A' ' 48' ' ' ALA . 24.6 ptt-85 -42.41 133.97 3.12 Favored 'General case' 0 C--O 1.239 0.508 0 CA-C-N 114.567 -1.197 . . . . 4.1 113.368 169.222 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 76.5 m-85 -139.23 159.05 43.06 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 109.161 -0.681 . . . . 0.97 109.161 166.544 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -117.02 134.14 55.12 Favored 'General case' 0 C--N 1.317 -0.844 0 N-CA-C 108.604 -0.888 . . . . 1.1 108.604 179.363 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.566 ' HG3' ' CE2' ' A' ' 45' ' ' PHE . 1.8 tmt? -143.21 140.49 30.74 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.917 0.389 . . . . 0.98 110.346 -176.412 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -130.82 141.21 50.33 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.069 0.461 . . . . 1.11 111.697 -177.699 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.49 ' ND2' ' HZ3' ' A' ' 43' ' ' LYS . 0.7 OUTLIER -112.91 85.51 2.19 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 107.037 -1.468 . . . . 1.17 107.037 173.076 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 85.9 mt -89.14 135.35 33.61 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 120.783 0.325 . . . . 1.67 110.958 -173.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.453 ' HA ' ' O ' ' A' ' 40' ' ' GLY . 18.5 p -136.66 -158.03 0.83 Allowed 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.194 -0.669 . . . . 0.45 109.194 -179.24 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 64.5 p -102.33 -17.65 15.79 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-O 121.017 0.437 . . . . 0.54 111.448 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.413 ' HG3' ' CG1' ' A' ' 35' ' ' VAL . 48.1 mmtm -112.57 -55.32 2.53 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.93 0.395 . . . . 2.24 111.187 -175.758 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 16.2 tppt? -127.02 126.16 42.66 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 116.107 -0.497 . . . . 1.82 110.296 -178.674 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -111.53 150.55 29.82 Favored 'General case' 0 C--N 1.318 -0.761 0 N-CA-C 108.888 -0.782 . . . . 2.12 108.888 179.297 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.513 HG23 HD13 ' A' ' 83' ' ' LEU . 34.3 p -124.94 152.68 43.8 Favored 'General case' 0 C--N 1.317 -0.847 0 N-CA-C 110.221 -0.288 . . . . 0.56 110.221 179.444 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 21.1 t-160 -136.76 83.13 1.98 Allowed 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.044 0.45 . . . . 1.95 110.097 -178.775 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.512 ' HD2' ' SD ' ' A' ' 58' ' ' MET . 27.4 m-70 -73.71 88.16 1.72 Allowed 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 108.953 -0.758 . . . . 0.39 108.953 177.445 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 8.8 ptpt -89.68 135.17 33.77 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 112.455 0.539 . . . . 2.3 112.455 -178.18 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 46.67 61.33 2.85 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 114.038 -1.437 . . . . 2.07 112.809 174.085 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 55.2 p-90 -100.1 149.35 23.59 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.118 -0.946 . . . . 0.43 109.231 172.465 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.563 ' O ' ' HB2' ' A' ' 76' ' ' GLU . . . -116.93 154.02 31.57 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 116.383 -0.371 . . . . 0.55 110.084 179.193 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.506 HD11 HD23 ' A' ' 94' ' ' LEU . 3.8 mm? -59.22 128.29 36.42 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.099 0.476 . . . . 1.71 111.175 174.292 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 86.19 6.68 81.24 Favored Glycine 0 N--CA 1.447 -0.624 0 CA-C-N 115.486 -0.779 . . . . 0.59 111.794 -178.551 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.563 ' HB2' ' O ' ' A' ' 73' ' ' ALA . 9.8 mm-40 -103.18 150.56 23.56 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.513 0.673 . . . . 2.37 111.648 -178.25 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.503 ' HA ' ' O ' ' A' ' 90' ' ' ILE . 28.8 tt0 -130.72 118.33 20.73 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 114.648 -1.16 . . . . 1.4 108.734 -177.078 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 48.0 p90 -128.88 151.88 49.14 Favored 'General case' 0 C--N 1.317 -0.818 0 N-CA-C 110.24 -0.282 . . . . 0.57 110.24 -176.613 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.452 ' HA ' ' O ' ' A' ' 88' ' ' HIS . 1.8 mp0 -84.85 147.73 26.65 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 108.893 -0.781 . . . . 1.95 108.893 174.794 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.403 ' HB3' HD12 ' A' ' 90' ' ' ILE . 26.4 t0 -164.92 165.69 20.12 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.47 -0.332 . . . . 1.26 110.27 -171.163 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.476 ' O ' HG22 ' A' ' 67' ' ' THR . 34.1 tt0 -101.63 97.36 7.79 Favored 'General case' 0 CA--C 1.514 -0.431 0 N-CA-C 108.832 -0.803 . . . . 2.13 108.832 178.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -84.15 176.59 8.68 Favored 'General case' 0 C--N 1.314 -0.967 0 CA-C-N 114.992 -1.004 . . . . 0.95 112.899 -171.185 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.682 HD22 ' H ' ' A' ' 83' ' ' LEU . 2.4 mm? -54.75 -38.79 67.6 Favored 'General case' 0 CA--C 1.515 -0.389 0 CA-C-O 121.454 0.645 . . . . 1.34 109.641 179.323 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -74.93 8.85 2.21 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 114.887 -1.051 . . . . 1.55 111.033 -173.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 7.4 m 64.45 38.01 7.84 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 115.221 -0.9 . . . . 1.21 111.895 169.284 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 25.0 p -122.93 161.43 24.2 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.964 -0.562 . . . . 0.93 110.642 174.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.416 HE22 ' HB2' ' A' ' 81' ' ' GLU . 10.4 mm100 -106.53 79.94 1.42 Allowed 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 107.92 -1.141 . . . . 1.88 107.92 176.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . 0.564 ' HB2' ' HA ' ' A' ' 106' ' ' LYS . 10.0 p-80 -124.81 173.68 8.43 Favored 'General case' 0 C--N 1.313 -1.012 0 C-N-CA 119.971 -0.692 . . . . 1.04 111.241 -164.473 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.514 ' O ' ' HD2' ' A' ' 88' ' ' HIS . 62.7 pttt -85.73 136.21 33.44 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-O 121.442 0.639 . . . . 1.49 110.356 -178.388 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.503 ' O ' ' HA ' ' A' ' 77' ' ' GLU . 7.6 mt -131.4 127.07 59.45 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.848 0 CA-C-N 115.498 -0.774 . . . . 0.54 110.72 -171.494 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 15.8 m -117.37 141.83 47.84 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 120.895 0.379 . . . . 0.43 111.235 -178.101 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 37.3 m-85 -117.81 133.01 56.36 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.595 -0.73 . . . . 0.6 109.109 174.569 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -153.97 142.45 20.71 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.9 0.381 . . . . 1.69 110.801 -175.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.506 HD23 HD11 ' A' ' 74' ' ' LEU . 0.4 OUTLIER -87.61 114.83 24.59 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 108.978 -0.749 . . . . 1.12 108.978 177.016 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 59.7 tttp -86.46 -42.04 13.92 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.14 -0.689 . . . . 3.03 109.14 -175.122 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -155.41 164.79 20.0 Favored Pre-proline 0 C--N 1.319 -0.718 0 N-CA-C 106.935 -1.506 . . . . 1.79 106.935 172.238 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_exo -58.79 0.32 0.43 Allowed 'Trans proline' 0 N--CA 1.48 0.696 0 C-N-CA 123.309 2.673 . . . . 0.98 114.762 -172.756 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . 0.446 ' O ' ' HA ' ' A' ' 119' ' ' ARG . 7.4 t30 -135.31 18.97 3.38 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.043 0.449 . . . . 2.32 109.996 177.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 25.6 m -145.08 107.01 4.28 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-O 121.182 0.515 . . . . 0.56 111.839 179.347 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.498 HD12 HD21 ' A' ' 3' ' ' LEU . 0.8 OUTLIER -93.38 136.95 33.16 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.696 -1.224 . . . . 1.1 107.696 170.852 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 17.5 p -112.71 128.86 56.52 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 119.117 0.871 . . . . 0.41 111.452 179.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 69.5 tt0 -111.33 102.57 10.96 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.325 -0.852 . . . . 1.31 109.12 175.021 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 25.0 m -98.19 114.76 27.1 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.105 0.479 . . . . 0.51 111.033 -174.813 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 39.5 m170 -96.1 100.52 12.16 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.913 -0.585 . . . . 1.69 110.179 176.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.47 ' O ' ' HB2' ' A' ' 88' ' ' HIS . 17.9 mt -104.81 113.48 41.95 Favored 'Isoleucine or valine' 0 C--O 1.238 0.455 0 CA-C-O 121.177 0.513 . . . . 0.75 111.164 176.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.564 ' HA ' ' HB2' ' A' ' 88' ' ' HIS . 42.2 mtmt -63.63 117.31 6.63 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.369 -0.832 . . . . 1.61 111.134 179.361 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 11.4 m -57.63 -26.64 27.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.266 -0.879 . . . . 1.32 111.036 175.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -76.65 -51.9 10.67 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.498 -0.773 . . . . 2.5 110.771 179.762 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -138.85 91.93 11.46 Favored Pre-proline 0 CA--C 1.515 -0.371 0 CA-C-O 121.307 0.575 . . . . 2.39 110.081 -179.695 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 68.2 Cg_endo -73.73 8.92 1.76 Allowed 'Trans proline' 0 N--CA 1.464 -0.244 0 C-N-CA 123.566 2.844 . . . . 0.9 113.204 -176.08 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 41.7 p -92.29 -23.25 19.35 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.5 0.667 . . . . 1.47 110.185 175.153 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . 0.467 ' HB3' ' HE2' ' A' ' 106' ' ' LYS . 37.0 t70 -108.27 46.88 0.93 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.282 -0.872 . . . . 1.59 109.838 -175.688 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.431 HG12 ' HA ' ' A' ' 105' ' ' ILE . 14.5 m -70.29 -179.04 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.171 -0.922 . . . . 1.6 112.049 179.674 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -153.82 143.48 21.75 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.582 -0.736 . . . . 2.78 109.391 176.28 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 23.8 m -143.09 140.52 30.93 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.138 0.494 . . . . 0.53 111.478 -176.722 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -118.68 162.51 18.29 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 107.381 -1.34 . . . . 0.96 107.381 174.195 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . 0.518 ' HB2' ' HB3' ' A' ' 128' ' ' LYS . 30.3 mt-10 -135.17 123.87 23.76 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 108.131 -1.063 . . . . 1.27 108.131 179.444 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . 0.433 ' HB2' ' HB3' ' A' ' 100' ' ' LEU . 40.1 m-85 -93.42 115.83 28.37 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-O 120.887 0.375 . . . . 0.6 110.381 -175.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . 0.446 ' HA ' ' O ' ' A' ' 98' ' ' ASN . 88.7 mtm180 -120.46 157.1 30.09 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.822 -0.626 . . . . 3.41 110.327 -178.326 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . 0.5 ' HG2' ' CE1' ' A' ' 7' ' ' PHE . 12.1 mmm180 -102.48 140.37 36.85 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 110.235 -0.283 . . . . 1.96 110.235 174.721 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -142.28 89.3 2.15 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.557 -0.534 . . . . 1.08 109.557 173.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 71.55 -113.11 4.46 Favored Glycine 0 N--CA 1.446 -0.634 0 N-CA-C 111.052 -0.819 . . . . 0.92 111.052 -175.071 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -107.49 12.31 27.96 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.058 0.456 . . . . 2.31 110.409 176.746 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 -106.74 140.55 39.42 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 116.072 -0.513 . . . . 0.67 111.122 -179.196 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -91.89 117.62 29.97 Favored 'General case' 0 N--CA 1.449 -0.524 0 N-CA-C 107.479 -1.304 . . . . 1.03 107.479 170.613 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 72.1 t -111.55 120.08 61.28 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.855 0 CA-C-O 121.153 0.502 . . . . 0.47 110.29 -172.286 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' MET . . . . . 0.549 ' O ' ' HA ' ' A' ' 137' ' ' SER . 31.1 ttm -93.02 136.59 33.15 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-N 115.572 -0.74 . . . . 1.08 110.418 -179.312 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . 0.518 ' HB3' ' HB2' ' A' ' 117' ' ' GLU . 23.9 tptm -119.85 116.27 25.53 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 109.301 -0.629 . . . . 2.2 109.301 178.338 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 129' ' ' MET . . . . . 0.503 ' HB2' ' CG2' ' A' ' 136' ' ' THR . 16.3 mtp -122.79 133.73 54.44 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 108.445 -0.946 . . . . 1.11 108.445 -179.803 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . 0.425 ' HA ' ' O ' ' A' ' 134' ' ' VAL . 10.8 p -141.19 129.68 22.57 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.185 0.517 . . . . 1.06 111.615 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 131' ' ' TRP . . . . . 0.428 ' CD1' ' HG3' ' A' ' 132' ' ' LYS . 53.1 t-105 -144.93 130.23 18.66 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.318 -0.855 . . . . 0.76 110.085 178.526 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . 0.428 ' HG3' ' CD1' ' A' ' 131' ' ' TRP . 67.8 mttm 51.51 44.26 29.15 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 121.196 0.522 . . . . 1.96 111.245 -177.451 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 80.93 -22.14 5.18 Favored Glycine 0 CA--C 1.52 0.353 0 CA-C-N 115.725 -0.67 . . . . 0.53 113.016 179.616 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . 0.425 ' O ' ' HA ' ' A' ' 130' ' ' SER . 27.7 t -74.85 107.83 5.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 N-CA-C 110.159 -0.312 . . . . 0.43 110.159 -177.73 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 1.2 m -102.71 137.21 41.23 Favored 'General case' 0 N--CA 1.433 -1.285 0 CA-C-O 121.134 0.493 . . . . 1.14 110.992 -179.739 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 136' ' ' THR . . . . . 0.503 ' CG2' ' HB2' ' A' ' 129' ' ' MET . 6.2 t -134.81 135.63 41.92 Favored 'General case' 0 C--N 1.309 -1.171 0 CA-C-N 115.344 -0.843 . . . . 0.4 110.22 179.615 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 137' ' ' SER . . . . . 0.549 ' HA ' ' O ' ' A' ' 127' ' ' MET . 62.0 m -116.47 110.0 18.04 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.242 -0.435 . . . . 0.79 109.961 176.068 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 138' ' ' ARG . . . . . 0.413 ' HA ' ' HA ' ' A' ' 16' ' ' ASP . 29.7 mtp180 -90.2 131.42 36.04 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.232 -0.655 . . . . 1.84 109.232 177.392 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -100.41 112.22 24.55 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.196 0.522 . . . . 0.64 111.091 -174.624 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 68.8 m-85 -107.76 135.03 49.87 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.252 -0.885 . . . . 0.6 108.841 177.116 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 13.3 ptpt -108.45 168.17 9.51 Favored 'General case' 0 C--N 1.309 -1.154 0 N-CA-C 107.565 -1.272 . . . . 1.92 107.565 172.728 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 142' ' ' LYS . . . . . 0.42 ' HA ' ' HA ' ' A' ' 11' ' ' PHE . 78.5 tttt -57.24 170.19 0.51 Allowed 'General case' 0 C--N 1.313 -1.003 0 CA-C-O 121.251 0.548 . . . . 2.13 110.888 174.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . 0.566 ' HA ' HE21 ' A' ' 143' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--O 1.248 0.976 0 O-C-N 121.33 -0.856 . . . . 1.46 109.838 160.633 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 2.0 m . . . . . 0 N--CA 1.449 -0.511 0 CA-C-O 120.951 0.405 . . . . 0.99 110.533 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.453 ' HA ' HD23 ' A' ' 3' ' ' LEU . 5.7 mt -62.05 123.84 79.54 Favored Pre-proline 0 C--N 1.323 -0.58 0 CA-C-N 115.487 -0.779 . . . . 0.59 111.508 179.548 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_exo -59.8 135.44 63.63 Favored 'Trans proline' 0 N--CA 1.458 -0.585 0 C-N-CA 122.722 2.281 . . . . 0.61 110.567 171.119 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . 0.435 ' HA ' HD12 ' A' ' 8' ' ' LEU . 6.1 m-20 -54.76 -21.79 12.14 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 115.978 -0.556 . . . . 2.19 111.824 -178.442 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.579 ' O ' ' HD3' ' A' ' 120' ' ' ARG . 67.9 mttm -59.79 -26.92 66.12 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.309 0.485 . . . . 2.53 112.309 176.31 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -99.65 -0.48 40.17 Favored 'General case' 0 C--N 1.328 -0.327 0 O-C-N 122.036 -0.415 . . . . 0.6 110.258 -179.228 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.467 ' HA ' ' HB2' ' A' ' 45' ' ' PHE . 89.5 mt -102.64 145.42 29.69 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.184 0.516 . . . . 0.46 111.438 -174.177 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 127.24 -173.97 18.43 Favored Glycine 0 N--CA 1.446 -0.693 0 CA-C-N 115.441 -0.8 . . . . 0.52 111.559 -176.355 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.522 HG23 ' HG2' ' A' ' 44' ' ' LYS . 36.1 m -110.95 123.23 49.75 Favored 'General case' 0 N--CA 1.446 -0.625 0 N-CA-C 109.994 -0.373 . . . . 1.05 109.994 177.082 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.447 ' HA ' ' HA ' ' A' ' 142' ' ' LYS . 56.9 m-85 -118.24 136.07 53.89 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.317 -0.401 . . . . 0.47 111.166 -174.749 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.713 ' HB3' ' NE2' ' A' ' 143' ' ' GLN . 21.7 ptmt -101.05 132.4 46.51 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 120.061 -0.656 . . . . 2.19 111.7 173.591 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.588 HD23 ' CE2' ' A' ' 140' ' ' TYR . 2.8 tm? -58.35 129.58 42.67 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 115.127 -0.942 . . . . 1.14 110.816 176.606 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -106.48 -46.99 3.88 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.363 -0.381 . . . . 2.08 111.533 -179.551 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 2.2 ptm180 -162.44 -174.38 4.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.908 0.385 . . . . 3.36 110.901 -178.666 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -143.84 163.8 32.35 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.808 -0.633 . . . . 1.19 110.387 -179.277 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -145.74 118.47 8.64 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.571 -0.286 . . . . 2.66 110.628 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 42.4 t30 73.17 22.0 2.97 Favored 'General case' 0 N--CA 1.477 0.904 0 CA-C-O 121.764 0.792 . . . . 0.76 110.427 179.542 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.497 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 9.7 t80 -75.89 -42.2 49.83 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.103 -0.953 . . . . 0.49 111.273 -171.604 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.426 ' O ' ' HG3' ' A' ' 24' ' ' LYS . 8.2 p-10 -60.51 -42.05 95.61 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 121.176 -0.21 . . . . 2.04 110.564 177.711 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 22.9 mm-40 -54.18 -46.12 72.28 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.442 -0.345 . . . . 1.79 110.727 175.657 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 43.6 t80 -58.76 -39.65 81.62 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.293 -0.412 . . . . 0.57 110.71 176.575 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.497 ' HG ' ' O ' ' A' ' 19' ' ' PHE . 88.7 mt -67.5 -38.67 84.66 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.309 -0.405 . . . . 0.37 110.576 -175.448 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.426 ' HG3' ' O ' ' A' ' 20' ' ' ASP . 89.8 mttt -64.25 -50.26 68.66 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.841 -0.618 . . . . 1.88 110.054 177.118 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.04 -36.61 75.31 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.344 -0.844 . . . . 0.44 111.021 178.134 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.49 ' HA ' ' CD1' ' A' ' 131' ' ' TRP . 16.0 tpt180 -70.7 -17.81 62.82 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.786 -0.643 . . . . 1.29 111.14 -178.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 95.61 28.16 9.85 Favored Glycine 0 N--CA 1.447 -0.618 0 C-N-CA 120.766 -0.73 . . . . 0.62 112.762 179.428 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 48.8 m-85 -92.66 129.38 38.6 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.871 0.367 . . . . 0.64 110.397 175.808 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -74.9 178.68 45.87 Favored Glycine 0 N--CA 1.445 -0.703 0 CA-C-N 115.668 -0.697 . . . . 1.54 111.921 177.139 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.518 ' O ' ' HG2' ' A' ' 34' ' ' GLN . 90.4 t90 -50.63 -54.75 20.32 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 122.759 0.424 . . . . 1.18 111.901 -176.513 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 1.2 mm -52.77 -54.58 15.44 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.314 0 N-CA-C 111.989 0.366 . . . . 2.16 111.989 -178.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.75 -45.02 82.3 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.634 -0.257 . . . . 0.97 110.838 177.438 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.451 ' HA ' HD13 ' A' ' 23' ' ' LEU . 41.5 ttp180 -65.46 -21.01 66.6 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.186 0.517 . . . . 1.87 110.74 -177.838 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.518 ' HG2' ' O ' ' A' ' 30' ' ' TRP . 16.9 mm100 -84.02 -39.36 19.73 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.855 -0.611 . . . . 1.97 110.34 177.356 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 55.7 t -73.5 -57.45 6.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.26 -0.427 . . . . 0.68 111.111 -176.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 66.8 mt -47.43 -35.76 4.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 N-CA-C 113.753 1.02 . . . . 0.51 113.753 179.431 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.42 ' HG3' ' O ' ' A' ' 33' ' ' ARG . 40.3 mtmt -77.09 -21.83 53.72 Favored 'General case' 0 N--CA 1.467 0.39 0 O-C-N 121.967 -0.458 . . . . 0.97 111.681 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 54.9 mt -90.3 -13.58 34.96 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.245 0.545 . . . . 2.08 110.305 -179.443 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -75.82 109.21 9.24 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.407 -0.815 . . . . 1.03 111.049 -178.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.407 ' O ' ' HA ' ' A' ' 62' ' ' THR . . . -77.97 154.92 41.92 Favored Glycine 0 N--CA 1.444 -0.83 0 N-CA-C 110.387 -1.085 . . . . 0.84 110.387 174.159 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.445 HG22 HG22 ' A' ' 62' ' ' THR . 43.9 t -133.71 131.82 56.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-O 121.228 0.537 . . . . 1.3 110.723 -175.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 23.7 m -107.34 107.14 17.91 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.766 -0.652 . . . . 0.45 109.761 175.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.791 ' HE3' ' SD ' ' A' ' 127' ' ' MET . 74.2 mmtt -84.14 129.52 34.89 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.098 -0.501 . . . . 0.79 110.029 179.378 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.582 ' O ' ' HA ' ' A' ' 58' ' ' MET . 10.2 mtpm? -128.81 106.06 8.67 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 120.811 0.339 . . . . 1.96 110.726 177.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.484 ' CZ ' ' HE2' ' A' ' 58' ' ' MET . 91.4 m-85 -109.86 120.65 43.15 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 109.251 -0.648 . . . . 0.54 109.251 177.018 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 15.3 ptm180 -149.13 162.85 39.15 Favored 'General case' 0 C--N 1.319 -0.735 0 C-N-CA 120.68 -0.408 . . . . 3.17 111.072 -178.545 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.425 ' HA ' ' CD2' ' A' ' 56' ' ' TYR . 1.9 t-20 -65.83 144.26 56.95 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 107.602 -1.259 . . . . 1.85 107.602 171.676 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -47.14 130.29 12.63 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-O 121.554 0.693 . . . . 0.87 111.997 -171.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.11 -34.23 77.16 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 114.235 -1.348 . . . . 1.48 111.697 -169.148 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 19.3 m -72.44 13.22 0.36 Allowed 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 112.233 0.457 . . . . 2.37 112.233 178.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 76.03 29.09 59.35 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.8 -0.714 . . . . 1.91 113.074 177.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -92.93 123.46 61.24 Favored Pre-proline 0 C--N 1.323 -0.584 0 N-CA-C 110.087 -0.338 . . . . 3.17 110.087 177.124 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.476 ' O ' ' HB3' ' A' ' 54' ' ' ASP . 72.0 Cg_endo -76.01 146.33 29.05 Favored 'Trans proline' 0 N--CA 1.46 -0.462 0 C-N-CA 122.606 2.204 . . . . 1.84 111.761 177.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.476 ' HB3' ' O ' ' A' ' 53' ' ' PRO . 19.6 t70 78.73 -52.94 0.47 Allowed 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 123.803 0.841 . . . . 2.44 109.528 -179.857 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 4.1 tpp180 -55.89 132.36 49.44 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 114.804 -1.089 . . . . 4.1 110.689 172.426 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.425 ' CD2' ' HA ' ' A' ' 47' ' ' ASN . 48.4 m-85 -113.95 171.02 7.85 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.296 0.569 . . . . 0.97 111.837 179.124 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -132.74 135.45 45.75 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.269 -0.878 . . . . 1.1 108.662 176.667 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.582 ' HA ' ' O ' ' A' ' 44' ' ' LYS . 1.5 tmt? -144.2 142.73 30.69 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.594 -0.521 . . . . 0.98 109.594 -176.481 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.486 ' HG2' ' HB2' ' A' ' 44' ' ' LYS . 15.6 pt-20 -149.44 157.97 43.77 Favored 'General case' 0 C--N 1.319 -0.745 0 C-N-CA 120.457 -0.497 . . . . 1.11 111.687 -179.395 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.422 ' HB2' ' OG1' ' A' ' 67' ' ' THR . 31.9 m-80 -130.31 98.98 4.87 Favored 'General case' 0 CA--C 1.513 -0.465 0 CA-C-N 115.281 -0.872 . . . . 1.17 109.7 -178.389 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 93.6 mt -92.01 125.28 36.64 Favored 'General case' 0 C--N 1.316 -0.85 0 N-CA-C 109.752 -0.462 . . . . 1.67 109.752 176.704 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.445 HG22 HG22 ' A' ' 41' ' ' VAL . 29.9 p -126.73 -158.33 0.86 Allowed 'General case' 0 N--CA 1.446 -0.647 0 N-CA-C 109.966 -0.383 . . . . 0.45 109.966 -175.871 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 74.3 p -98.0 -36.29 10.17 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-O 121.151 0.5 . . . . 0.54 110.668 -178.826 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -102.02 -24.23 14.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.712 -0.676 . . . . 2.24 111.416 -175.608 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.71 ' HG3' ' H ' ' A' ' 66' ' ' ASP . 19.6 tptp -138.49 -146.31 0.21 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.013 0.435 . . . . 1.82 110.227 -174.851 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.71 ' H ' ' HG3' ' A' ' 65' ' ' LYS . 7.7 p-10 163.5 147.69 0.01 OUTLIER 'General case' 0 C--N 1.31 -1.132 0 CA-C-N 114.82 -1.082 . . . . 2.12 108.853 -165.542 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.512 HG22 ' O ' ' A' ' 81' ' ' GLU . 22.3 p -150.5 150.22 30.99 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 108.386 -0.968 . . . . 0.56 108.386 173.512 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 3.5 t-160 -144.12 99.06 3.32 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.419 0.628 . . . . 1.95 109.977 175.276 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 8.8 m-70 -79.6 81.47 5.86 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.021 -0.99 . . . . 0.39 109.289 179.565 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 61.8 mttm -71.65 122.11 19.99 Favored 'General case' 0 C--O 1.235 0.328 0 N-CA-C 112.368 0.507 . . . . 2.3 112.368 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 30.6 m-20 59.41 68.83 0.76 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.07 -0.968 . . . . 2.07 111.312 171.397 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' TRP . . . . . 0.426 ' HE1' ' HB2' ' A' ' 58' ' ' MET . 68.4 p-90 -109.26 144.18 37.74 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 116.032 -0.531 . . . . 0.43 109.836 177.007 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -111.71 136.31 51.13 Favored 'General case' 0 C--N 1.316 -0.869 0 N-CA-C 109.227 -0.657 . . . . 0.55 109.227 176.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.475 HD11 ' HG ' ' A' ' 94' ' ' LEU . 6.2 tt -61.77 129.91 43.24 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-O 121.322 0.582 . . . . 1.71 109.985 178.04 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 91.7 9.92 62.22 Favored Glycine 0 N--CA 1.448 -0.539 0 CA-C-N 115.534 -0.757 . . . . 0.59 111.923 -171.391 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -124.6 166.09 16.72 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 110.138 -0.319 . . . . 2.37 110.138 -178.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.449 ' HA ' ' O ' ' A' ' 90' ' ' ILE . 9.8 pt-20 -131.98 146.85 52.34 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.578 -0.897 . . . . 1.4 108.578 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 17.5 p90 -142.17 156.98 45.37 Favored 'General case' 0 C--N 1.308 -1.211 0 CA-C-N 116.557 -0.292 . . . . 0.57 111.409 -176.797 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -79.1 141.77 37.03 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.349 -0.612 . . . . 1.95 109.349 174.148 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -154.93 158.74 39.71 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 121.135 -0.226 . . . . 1.26 110.668 -174.158 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.512 ' O ' HG22 ' A' ' 67' ' ' THR . 30.9 tt0 -99.06 84.31 3.03 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 108.076 -1.083 . . . . 2.13 108.076 174.708 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.423 ' HA ' ' CG2' ' A' ' 67' ' ' THR . . . -67.73 170.07 8.51 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 114.52 -1.218 . . . . 0.95 113.9 -165.589 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.463 HD22 HG21 ' A' ' 67' ' ' THR . 3.0 mm? -54.43 -36.12 63.68 Favored 'General case' 0 CA--C 1.519 -0.237 0 CA-C-N 115.873 -0.603 . . . . 1.34 110.47 179.698 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -79.06 17.99 0.69 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.554 -0.748 . . . . 1.55 111.918 -175.632 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 17.6 m 61.78 34.34 17.29 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 115.705 -0.679 . . . . 1.21 112.13 169.515 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 30.6 p -129.69 170.45 13.8 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 116.143 -0.48 . . . . 0.93 110.23 177.318 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 7.8 mm100 -109.04 118.68 37.42 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 108.071 -1.085 . . . . 1.88 108.071 176.736 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . 0.603 ' HB2' ' O ' ' A' ' 105' ' ' ILE . 19.9 p80 -160.96 176.34 11.51 Favored 'General case' 0 C--N 1.318 -0.795 0 C-N-CA 120.169 -0.612 . . . . 1.04 112.233 179.023 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.545 ' HG3' ' HB ' ' A' ' 105' ' ' ILE . 17.9 ptmt -82.5 152.99 25.82 Favored 'General case' 0 N--CA 1.445 -0.718 0 CA-C-N 115.359 -0.837 . . . . 1.49 109.996 -177.489 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.449 ' O ' ' HA ' ' A' ' 77' ' ' GLU . 65.0 mt -142.98 124.03 11.16 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.951 0 CA-C-N 115.438 -0.801 . . . . 0.54 109.697 -178.765 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 16.9 m -111.21 140.51 45.71 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 116.017 -0.538 . . . . 0.43 110.64 -177.761 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.404 ' HD2' HD11 ' A' ' 100' ' ' LEU . 6.3 m-85 -115.89 140.61 49.07 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 109.167 -0.679 . . . . 0.6 109.167 175.552 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.473 ' HA ' ' CD2' ' A' ' 74' ' ' LEU . 7.8 t0 -166.97 165.87 15.66 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.691 -0.485 . . . . 1.69 109.691 178.875 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.475 ' HG ' HD11 ' A' ' 74' ' ' LEU . 3.5 mt -103.6 127.56 51.01 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.869 0.366 . . . . 1.12 110.151 177.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 42.7 tttm -83.26 -47.21 11.76 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 107.279 -1.378 . . . . 3.03 107.279 173.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.436 ' C ' ' H ' ' A' ' 98' ' ' ASN . 12.9 m-20 -135.97 166.12 30.61 Favored Pre-proline 0 C--N 1.319 -0.733 0 N-CA-C 106.653 -1.61 . . . . 1.79 106.653 171.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 14.9 Cg_exo -70.96 6.83 1.54 Allowed 'Trans proline' 0 CA--C 1.528 0.199 0 C-N-CA 122.433 2.089 . . . . 0.98 110.979 176.294 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . 0.436 ' H ' ' C ' ' A' ' 96' ' ' ASP . 16.8 m120 -121.87 9.38 10.03 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 114.847 -1.07 . . . . 2.32 110.066 178.418 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 58.5 m -154.31 109.52 3.12 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-O 121.333 0.587 . . . . 0.56 112.159 -178.279 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.485 ' HB3' ' HB2' ' A' ' 118' ' ' TYR . 28.8 tp -87.66 143.65 27.07 Favored 'General case' 0 C--O 1.215 -0.733 0 CA-C-N 115.165 -0.925 . . . . 1.1 108.696 171.802 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 17.1 p -121.53 133.67 55.03 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 118.934 0.788 . . . . 0.41 111.577 179.62 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 62.0 tt0 -112.29 100.15 8.57 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.873 -0.788 . . . . 1.31 108.873 174.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 37.0 m -96.13 111.87 23.78 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.185 0.517 . . . . 0.51 110.842 -174.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' HIS . . . . . 0.465 ' HB3' ' CE1' ' A' ' 88' ' ' HIS . 39.4 m170 -93.46 108.42 20.11 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.825 -0.625 . . . . 1.69 109.849 179.841 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.603 ' O ' ' HB2' ' A' ' 88' ' ' HIS . 29.3 mt -110.98 118.69 57.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-O 121.224 0.535 . . . . 0.75 110.947 178.611 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.595 ' HA ' ' CB ' ' A' ' 88' ' ' HIS . 97.5 mttt -64.26 114.92 4.56 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.486 -0.779 . . . . 1.61 111.619 177.414 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.412 HG13 ' H ' ' A' ' 89' ' ' LYS . 14.2 m -58.07 -23.38 21.29 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-N 114.957 -1.019 . . . . 1.32 111.844 178.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -81.71 -42.13 20.3 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.277 -0.42 . . . . 2.5 110.453 178.712 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -146.03 98.08 4.43 Favored Pre-proline 0 C--N 1.322 -0.614 0 CA-C-O 121.456 0.646 . . . . 2.39 110.203 -178.502 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -75.37 17.35 0.64 Allowed 'Trans proline' 0 C--N 1.331 -0.351 0 C-N-CA 123.496 2.797 . . . . 0.9 113.873 -177.011 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 65.5 p -107.95 -17.79 13.96 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.237 -0.585 . . . . 1.47 110.684 175.523 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -99.15 43.57 1.05 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 122.104 0.954 . . . . 1.59 109.033 178.369 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 23.5 m -64.72 -172.99 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 114.207 -1.361 . . . . 1.6 113.778 -178.5 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -165.05 143.0 6.23 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 114.474 -1.239 . . . . 2.78 108.511 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 50.7 m -144.26 131.48 20.7 Favored 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 120.259 -0.576 . . . . 0.53 112.208 -179.453 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 9.3 m-30 -111.09 160.44 16.88 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 106.813 -1.551 . . . . 0.96 106.813 172.224 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . 0.47 ' HG2' ' O ' ' A' ' 128' ' ' LYS . 12.7 pt-20 -143.24 137.95 29.29 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 119.187 0.903 . . . . 1.27 109.471 176.41 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . 0.485 ' HB2' ' HB3' ' A' ' 100' ' ' LEU . 78.5 m-85 -107.14 114.84 29.16 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.685 -0.689 . . . . 0.6 111.194 -173.14 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 24.4 ptt180 -123.23 150.4 43.49 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.712 -0.676 . . . . 3.41 109.731 177.453 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . 0.579 ' HD3' ' O ' ' A' ' 6' ' ' LYS . 8.6 tpt180 -103.64 120.34 40.72 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.834 0.35 . . . . 1.96 110.82 -175.55 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -117.37 93.58 4.23 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.589 -0.523 . . . . 1.08 109.589 176.74 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 66.89 -114.64 6.56 Favored Glycine 0 N--CA 1.447 -0.623 0 C-N-CA 120.844 -0.693 . . . . 0.92 111.658 -176.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . 0.447 ' HA ' HH21 ' A' ' 120' ' ' ARG . 39.8 m-20 -99.77 3.94 45.11 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.038 0.446 . . . . 2.31 110.472 177.888 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . 0.689 ' CD2' ' HB3' ' A' ' 141' ' ' LYS . 80.6 m-85 -107.37 131.4 54.29 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.211 0.529 . . . . 0.67 111.574 -175.593 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.438 HD11 ' HD1' ' A' ' 118' ' ' TYR . 3.2 tm? -86.87 113.6 22.8 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 107.491 -1.299 . . . . 1.03 107.491 173.294 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 54.6 t -111.8 134.44 54.22 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.951 0 N-CA-C 109.707 -0.479 . . . . 0.47 109.707 -171.509 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' MET . . . . . 0.791 ' SD ' ' HE3' ' A' ' 43' ' ' LYS . 94.1 mtp -110.81 153.54 25.24 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-N 116.097 -0.501 . . . . 1.08 111.117 -177.899 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . 0.47 ' O ' ' HG2' ' A' ' 117' ' ' GLU . 33.8 tttm -134.3 134.69 42.16 Favored 'General case' 0 C--N 1.309 -1.154 0 CA-C-N 115.145 -0.934 . . . . 2.2 109.119 173.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 129' ' ' MET . . . . . 0.479 ' HG3' ' CG2' ' A' ' 136' ' ' THR . 7.7 ptm -142.24 130.38 22.07 Favored 'General case' 0 C--N 1.313 -0.98 0 N-CA-C 108.413 -0.958 . . . . 1.11 108.413 177.011 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -131.25 125.09 31.95 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.171 0.51 . . . . 1.06 111.912 -172.264 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 131' ' ' TRP . . . . . 0.49 ' CD1' ' HA ' ' A' ' 26' ' ' ARG . 52.4 t-105 -134.84 125.83 27.6 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.499 -0.773 . . . . 0.76 109.644 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 93.7 mttt 52.77 44.34 30.36 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.893 -0.594 . . . . 1.96 111.667 -177.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 85.51 -30.77 4.03 Favored Glycine 0 CA--C 1.519 0.312 0 C-N-CA 120.962 -0.637 . . . . 0.53 112.918 179.572 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 23.1 t -75.13 105.64 4.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 121.002 0.429 . . . . 0.43 110.454 -176.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -102.25 138.42 39.21 Favored 'General case' 0 N--CA 1.434 -1.231 0 CA-C-N 115.954 -0.567 . . . . 1.14 110.349 177.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 136' ' ' THR . . . . . 0.479 ' CG2' ' HG3' ' A' ' 129' ' ' MET . 3.3 t -129.61 142.33 50.76 Favored 'General case' 0 C--N 1.309 -1.19 0 CA-C-N 115.741 -0.663 . . . . 0.4 110.206 178.588 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 137' ' ' SER . . . . . 0.556 ' HA ' ' O ' ' A' ' 127' ' ' MET . 17.8 m -114.98 118.07 32.4 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.771 -0.65 . . . . 0.79 110.104 178.569 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 60.3 mtp180 -94.33 140.2 30.1 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.378 -0.601 . . . . 1.84 109.378 177.094 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 -105.63 110.03 22.2 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.298 0.571 . . . . 0.64 111.489 -174.514 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 140' ' ' TYR . . . . . 0.588 ' CE2' HD23 ' A' ' 13' ' ' LEU . 14.6 m-85 -110.97 154.8 23.62 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.182 -0.917 . . . . 0.6 109.019 174.282 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 141' ' ' LYS . . . . . 0.689 ' HB3' ' CD2' ' A' ' 124' ' ' TYR . 0.0 OUTLIER -134.83 177.14 8.02 Favored 'General case' 0 C--N 1.311 -1.09 0 N-CA-C 107.069 -1.456 . . . . 1.92 107.069 163.582 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 142' ' ' LYS . . . . . 0.447 ' HA ' ' HA ' ' A' ' 11' ' ' PHE . 60.8 tttm -52.07 166.07 0.18 Allowed 'General case' 0 C--N 1.315 -0.924 0 CA-C-O 121.562 0.696 . . . . 2.13 111.328 176.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . 0.713 ' NE2' ' HB3' ' A' ' 12' ' ' LYS . 44.9 mm-40 . . . . . 0 C--N 1.316 -0.86 0 N-CA-C 108.984 -0.747 . . . . 1.46 108.984 159.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 2.6 m . . . . . 0 N--CA 1.444 -0.729 0 N-CA-C 110.072 -0.344 . . . . 0.99 110.072 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.575 HD23 ' HD2' ' A' ' 4' ' ' PRO . 0.2 OUTLIER -59.38 120.0 44.37 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 115.783 -0.644 . . . . 0.59 110.579 -178.928 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . 0.575 ' HD2' HD23 ' A' ' 3' ' ' LEU . 31.6 Cg_exo -57.81 130.58 39.2 Favored 'Trans proline' 0 N--CA 1.462 -0.333 0 C-N-CA 122.532 2.155 . . . . 0.61 110.795 174.065 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . 0.476 ' HA ' HD12 ' A' ' 8' ' ' LEU . 3.2 m-20 -59.8 -20.24 55.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.003 -0.544 . . . . 2.19 112.276 -175.075 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 57.7 mtmt -70.9 -7.3 44.8 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 111.998 0.37 . . . . 2.53 111.998 177.396 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 31.4 m-85 -93.38 -6.58 46.87 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.623 -0.51 . . . . 0.6 109.623 172.034 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.52 HD23 ' HB3' ' A' ' 45' ' ' PHE . 87.6 mt -100.8 156.97 17.06 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.462 0.649 . . . . 0.46 111.514 -171.534 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 131.31 -147.11 18.41 Favored Glycine 0 N--CA 1.443 -0.844 0 CA-C-N 114.813 -1.085 . . . . 0.52 111.34 -179.546 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.586 HG23 ' HB2' ' A' ' 143' ' ' GLN . 12.9 t -153.63 141.59 20.23 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-O 121.062 0.458 . . . . 1.05 110.096 177.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.677 ' HA ' ' HA ' ' A' ' 142' ' ' LYS . 64.8 m-85 -132.12 135.41 46.38 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 115.865 -0.607 . . . . 0.47 111.895 -175.767 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.741 ' HG2' HE21 ' A' ' 143' ' ' GLN . 38.1 mtmt -75.3 -161.17 0.14 Allowed 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 109.082 -0.71 . . . . 2.19 109.082 163.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.512 HD12 ' HB ' ' A' ' 41' ' ' VAL . 3.8 tt -135.26 108.59 7.81 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.139 -0.689 . . . . 1.14 109.139 -176.352 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -83.66 -48.33 10.29 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.459 -0.337 . . . . 2.08 111.195 -178.297 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.41 HH11 ' HD3' ' A' ' 15' ' ' ARG . 1.7 ptm180 -163.75 -174.55 3.72 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.282 0.563 . . . . 3.36 111.633 -177.324 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.548 ' HB3' ' HE ' ' A' ' 138' ' ' ARG . 2.8 p30 -156.28 172.33 18.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.431 -0.804 . . . . 1.19 109.594 176.686 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -143.49 114.28 7.66 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.645 -0.252 . . . . 2.66 110.781 -178.205 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 48.9 t30 74.18 22.6 2.26 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-O 121.644 0.735 . . . . 0.76 111.118 175.51 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 68.5 t80 -73.74 -37.24 65.14 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.475 -0.784 . . . . 0.49 110.919 -174.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -59.47 -48.0 83.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.422 -0.354 . . . . 2.04 111.069 177.509 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.424 ' HA ' ' HD3' ' A' ' 24' ' ' LYS . 40.3 mm-40 -56.51 -40.03 74.3 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 116.225 -0.443 . . . . 1.79 111.006 176.528 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 89.1 t80 -57.6 -38.24 74.56 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.163 -0.471 . . . . 0.57 110.976 176.473 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 95.4 mt -66.35 -38.97 88.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.947 0.403 . . . . 0.37 110.705 -179.26 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.424 ' HD3' ' HA ' ' A' ' 21' ' ' GLU . 55.8 mtpt -62.41 -44.96 95.2 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.682 -0.69 . . . . 1.88 109.765 177.164 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.74 -41.12 90.23 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.248 -0.887 . . . . 0.44 110.899 176.422 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 13.5 mmm180 -66.18 -15.12 62.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.941 -0.572 . . . . 1.29 111.738 -178.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 94.85 18.29 35.18 Favored Glycine 0 N--CA 1.447 -0.598 0 C-N-CA 120.568 -0.825 . . . . 0.62 112.372 179.174 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 40.3 m-85 -86.91 127.47 35.06 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.853 0.359 . . . . 0.64 110.415 178.215 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.501 ' O ' ' HG3' ' A' ' 33' ' ' ARG . . . -71.88 172.9 45.68 Favored Glycine 0 N--CA 1.445 -0.758 0 CA-C-N 115.713 -0.676 . . . . 1.54 112.414 179.331 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.575 ' O ' ' HG2' ' A' ' 34' ' ' GLN . 86.3 t90 -51.0 -50.07 59.22 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 122.765 0.426 . . . . 1.18 111.757 -176.727 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 1.1 mm -55.6 -53.1 40.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 N-CA-C 112.137 0.421 . . . . 2.16 112.137 -179.082 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.535 ' O ' HG13 ' A' ' 36' ' ' ILE . 45.6 mmm -56.92 -41.46 78.21 Favored 'General case' 0 CA--C 1.51 -0.578 0 CA-C-N 116.446 -0.343 . . . . 0.97 111.134 179.013 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.572 ' O ' ' HG3' ' A' ' 37' ' ' LYS . 75.7 mtm-85 -64.23 -31.03 72.07 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 120.922 -0.311 . . . . 1.87 110.513 179.632 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.575 ' HG2' ' O ' ' A' ' 30' ' ' TRP . 27.4 mm-40 -67.15 -24.61 65.91 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.246 0.546 . . . . 1.97 109.999 178.838 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 72.1 t -86.12 -65.72 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 115.594 -0.73 . . . . 0.68 110.536 174.647 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.535 HG13 ' O ' ' A' ' 32' ' ' MET . 57.3 mt -47.05 -55.0 2.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 N-CA-C 114.673 1.36 . . . . 0.51 114.673 -173.294 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.572 ' HG3' ' O ' ' A' ' 33' ' ' ARG . 0.0 OUTLIER -88.86 18.02 5.16 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 119.628 -0.829 . . . . 0.97 112.124 -174.181 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.522 ' C ' HD13 ' A' ' 38' ' ' LEU . 2.3 tm? -119.68 -41.09 2.71 Favored 'General case' 0 N--CA 1.442 -0.835 0 N-CA-C 109.345 -0.613 . . . . 2.08 109.345 178.343 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -54.34 141.18 31.07 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 115.923 -0.58 . . . . 1.03 112.236 -179.343 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -78.18 141.23 24.79 Favored Glycine 0 N--CA 1.449 -0.472 0 CA-C-N 115.728 -0.669 . . . . 0.84 111.87 176.772 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.512 ' HB ' HD12 ' A' ' 13' ' ' LEU . 37.7 t -126.66 128.91 71.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 120.906 0.384 . . . . 1.3 110.757 -176.277 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.438 ' HB ' ' HB2' ' A' ' 61' ' ' LEU . 19.3 m -114.91 113.66 24.46 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.749 -0.66 . . . . 0.45 109.659 175.838 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.464 ' HG3' ' HE2' ' A' ' 58' ' ' MET . 17.2 ttmt -107.49 137.36 45.66 Favored 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 121.068 -0.253 . . . . 0.79 110.571 -174.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.562 ' HG2' ' OG1' ' A' ' 10' ' ' THR . 27.0 mtpp -134.0 143.14 47.95 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 116.571 -0.286 . . . . 1.96 111.629 -173.839 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.522 ' CE2' ' HG3' ' A' ' 58' ' ' MET . 44.6 m-85 -130.85 129.11 41.91 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.844 -0.616 . . . . 0.54 109.539 171.676 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.446 ' HG3' ' HB3' ' A' ' 57' ' ' ASP . 2.5 ptp180 -152.59 176.07 12.1 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 120.786 0.327 . . . . 3.17 110.694 178.788 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 15.1 m120 -57.89 162.56 3.18 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.744 -0.662 . . . . 1.85 109.543 170.661 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.469 ' HB1' ' OD1' ' A' ' 71' ' ' ASP . . . -60.04 161.76 6.42 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.947 0.404 . . . . 0.87 111.842 -176.281 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -45.89 -63.12 1.05 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.142 -0.935 . . . . 1.48 112.716 -177.504 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 32.0 t -69.96 -33.5 72.19 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.235 0.54 . . . . 2.37 109.58 179.763 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 114.13 32.23 2.06 Favored Glycine 0 N--CA 1.45 -0.385 0 CA-C-N 115.602 -0.726 . . . . 1.91 113.305 171.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 5.3 mptp? -78.95 136.05 58.42 Favored Pre-proline 0 C--N 1.324 -0.526 0 CA-C-N 116.755 0.278 . . . . 3.17 110.35 177.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 33.2 Cg_endo -65.92 157.01 61.44 Favored 'Trans proline' 0 CA--C 1.528 0.208 0 C-N-CA 122.896 2.397 . . . . 1.84 111.994 177.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 59.39 13.66 3.31 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-O 121.734 0.778 . . . . 2.44 110.586 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 95.4 mtt180 -135.86 130.53 34.04 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 114.326 -1.306 . . . . 4.1 107.728 172.643 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.574 ' CE1' ' HB2' ' A' ' 3' ' ' LEU . 84.2 m-85 -129.07 170.61 13.29 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-O 121.349 0.595 . . . . 0.97 112.313 -173.695 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.446 ' HB3' ' HG3' ' A' ' 46' ' ' ARG . 8.6 t70 -126.65 141.76 51.75 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 114.912 -1.04 . . . . 1.1 109.084 -179.425 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.538 ' HG2' ' O ' ' A' ' 44' ' ' LYS . 2.0 tmt? -151.11 149.86 30.0 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 109.151 -0.685 . . . . 0.98 109.151 -177.595 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -152.73 156.0 38.31 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.166 0.508 . . . . 1.11 111.89 -177.362 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -122.75 85.51 2.43 Favored 'General case' 0 CA--C 1.519 -0.216 0 N-CA-C 108.053 -1.092 . . . . 1.17 108.053 -178.705 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.502 HD23 ' HB3' ' A' ' 66' ' ' ASP . 87.6 mt -77.81 132.0 37.84 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 120.584 0.231 . . . . 1.67 110.601 -177.489 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 17.4 p -135.22 -153.93 0.55 Allowed 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.882 -0.414 . . . . 0.45 109.882 -177.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 62.0 p -106.16 -28.05 10.7 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.169 0.509 . . . . 0.54 110.676 178.132 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 43.6 mmtm -102.07 -31.74 10.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.73 -0.668 . . . . 2.24 112.293 -170.435 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.58 ' O ' HD12 ' A' ' 83' ' ' LEU . 55.1 tptt -165.29 133.11 3.08 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 109.448 -0.575 . . . . 1.82 109.448 -175.543 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.502 ' HB3' HD23 ' A' ' 61' ' ' LEU . 10.7 m-20 -113.98 125.23 53.79 Favored 'General case' 0 C--N 1.318 -0.762 0 C-N-CA 120.52 -0.472 . . . . 2.12 110.877 -177.601 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.62 HG23 HD13 ' A' ' 83' ' ' LEU . 3.3 p -87.86 149.57 24.04 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 109.386 -0.598 . . . . 0.56 109.386 175.864 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.47 ' CD2' ' HB3' ' A' ' 70' ' ' LYS . 4.4 t-160 -137.16 88.64 2.37 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-O 121.263 0.554 . . . . 1.95 109.625 175.544 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.479 ' HD2' ' SD ' ' A' ' 58' ' ' MET . 7.2 m-70 -77.73 83.51 4.09 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 108.4 -0.963 . . . . 0.39 108.4 176.698 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.47 ' HB3' ' CD2' ' A' ' 68' ' ' HIS . 1.5 ptmm? -98.11 134.52 41.07 Favored 'General case' 0 C--N 1.314 -0.943 0 CA-C-N 116.04 -0.527 . . . . 2.3 112.252 -175.206 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.469 ' OD1' ' HB1' ' A' ' 48' ' ' ALA . 20.1 m-20 62.68 62.66 1.07 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 114.848 -1.069 . . . . 2.07 111.432 175.159 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 66.3 p-90 -119.45 159.87 23.44 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.169 0.509 . . . . 0.43 110.59 177.009 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.534 ' O ' ' HB3' ' A' ' 76' ' ' GLU . . . -127.76 154.07 45.8 Favored 'General case' 0 C--N 1.313 -0.995 0 N-CA-C 109.151 -0.685 . . . . 0.55 109.151 171.35 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.672 HD13 ' H ' ' A' ' 74' ' ' LEU . 0.0 OUTLIER -63.55 143.85 57.48 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.561 0.696 . . . . 1.71 110.396 174.345 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 81.08 2.05 90.27 Favored Glycine 0 C--N 1.317 -0.506 0 CA-C-N 115.426 -0.806 . . . . 0.59 111.687 -171.605 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.534 ' HB3' ' O ' ' A' ' 73' ' ' ALA . 42.1 tt0 -113.61 158.42 20.84 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.737 0.303 . . . . 2.37 110.215 -177.173 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.4 ' HA ' ' HA ' ' A' ' 91' ' ' THR . 3.4 pt-20 -140.76 145.38 36.31 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 108.907 -0.775 . . . . 1.4 108.907 -176.45 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.471 ' CZ ' ' HB3' ' A' ' 69' ' ' HIS . 19.6 p90 -144.55 163.6 33.4 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 116.641 -0.254 . . . . 0.57 111.372 -174.592 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -82.02 143.95 31.21 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 108.536 -0.913 . . . . 1.95 108.536 171.625 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.448 ' HB3' HD12 ' A' ' 90' ' ' ILE . 11.1 t70 -146.41 159.78 42.94 Favored 'General case' 0 C--O 1.248 0.985 0 N-CA-C 112.544 0.572 . . . . 1.26 112.544 -173.02 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.492 ' CD ' HE22 ' A' ' 87' ' ' GLN . 41.2 mm-40 -90.52 75.61 6.7 Favored 'General case' 0 C--N 1.343 0.314 0 CA-C-N 114.68 -1.145 . . . . 2.13 109.317 179.402 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.07 148.54 35.39 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-N 115.613 -0.721 . . . . 0.95 112.877 -169.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.67 HD22 ' H ' ' A' ' 83' ' ' LEU . 1.5 mm? -52.51 -29.12 23.52 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 115.304 -0.862 . . . . 1.34 110.244 177.263 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -72.49 5.78 2.79 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 114.497 -1.229 . . . . 1.55 111.705 -175.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 40.3 m 68.52 22.06 7.86 Favored 'General case' 0 N--CA 1.464 0.243 0 C-N-CA 123.038 0.535 . . . . 1.21 110.474 179.308 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 3.0 p -119.7 162.13 19.54 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.761 -0.654 . . . . 0.93 111.274 -178.497 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.577 ' HA ' HE21 ' A' ' 87' ' ' GLN . 0.1 OUTLIER -109.6 109.63 20.45 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 108.938 -0.764 . . . . 1.88 108.938 -179.616 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . 0.533 ' CB ' ' HA ' ' A' ' 106' ' ' LYS . 25.7 p80 -154.49 176.97 11.71 Favored 'General case' 0 C--N 1.318 -0.784 0 C-N-CA 119.007 -1.077 . . . . 1.04 112.599 -177.704 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 26.6 ttpp -81.54 148.17 29.28 Favored 'General case' 0 N--CA 1.444 -0.757 0 CA-C-N 114.772 -1.104 . . . . 1.49 110.639 -174.415 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.448 HD12 ' HB3' ' A' ' 80' ' ' ASP . 56.0 mt -142.0 129.44 20.53 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.835 0 CA-C-N 115.018 -0.992 . . . . 0.54 109.542 177.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.4 ' HA ' ' HA ' ' A' ' 77' ' ' GLU . 20.9 m -114.49 140.32 48.83 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 116.125 -0.488 . . . . 0.43 110.788 -177.469 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.493 ' CD2' HD21 ' A' ' 100' ' ' LEU . 10.2 m-85 -114.61 131.06 56.83 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 108.802 -0.814 . . . . 0.6 108.802 173.8 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -148.48 136.96 21.36 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 120.898 0.38 . . . . 1.69 110.854 -178.388 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -89.21 108.66 19.74 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 108.905 -0.776 . . . . 1.12 108.905 175.67 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 48.9 tptt -86.0 -54.07 4.71 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.158 -0.682 . . . . 3.03 109.158 -173.534 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.409 ' C ' ' H ' ' A' ' 98' ' ' ASN . 13.2 m-20 -121.68 163.86 28.39 Favored Pre-proline 0 C--N 1.319 -0.737 0 N-CA-C 107.995 -1.113 . . . . 1.79 107.995 174.778 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_exo -67.42 5.33 0.96 Allowed 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 122.981 2.454 . . . . 0.98 112.374 -177.095 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . 0.409 ' H ' ' C ' ' A' ' 96' ' ' ASP . 9.4 p30 -144.86 19.86 1.63 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.498 -0.774 . . . . 2.32 110.07 179.046 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 24.7 m -145.85 109.82 4.89 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-O 120.995 0.426 . . . . 0.56 111.673 -178.592 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.499 HD23 ' N ' ' A' ' 101' ' ' THR . 7.1 tt -98.54 140.89 32.1 Favored 'General case' 0 C--O 1.217 -0.61 0 N-CA-C 108.449 -0.945 . . . . 1.1 108.449 175.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.499 ' N ' HD23 ' A' ' 100' ' ' LEU . 12.0 p -118.79 132.91 56.14 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 118.777 0.717 . . . . 0.41 111.397 179.342 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 58.6 tt0 -113.66 105.77 13.72 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.681 -0.69 . . . . 1.31 109.48 177.082 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 12.8 m -102.63 114.41 28.61 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.035 0.445 . . . . 0.51 111.281 -175.089 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' HIS . . . . . 0.52 ' HB2' ' HB3' ' A' ' 114' ' ' GLU . 11.9 m170 -95.63 119.33 33.94 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.423 -0.584 . . . . 1.69 109.423 177.721 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.513 ' O ' ' HB2' ' A' ' 88' ' ' HIS . 42.2 mt -120.39 119.2 59.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-O 121.201 0.524 . . . . 0.75 111.046 174.424 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.562 ' HB3' ' OD2' ' A' ' 108' ' ' ASP . 94.0 mttt -67.2 108.44 2.7 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.202 -0.908 . . . . 1.61 111.23 177.623 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 28.6 m -59.53 -21.53 21.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.001 -1.0 . . . . 1.32 112.661 -178.408 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . 0.562 ' OD2' ' HB3' ' A' ' 106' ' ' LYS . 17.6 p-10 -80.43 -40.59 26.08 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.829 0.347 . . . . 2.5 110.45 -179.533 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -150.21 95.05 3.64 Favored Pre-proline 0 C--N 1.325 -0.489 0 N-CA-C 109.289 -0.634 . . . . 2.39 109.289 177.637 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_endo -72.55 11.21 0.84 Allowed 'Trans proline' 0 C--O 1.233 0.261 0 C-N-CA 123.412 2.742 . . . . 0.9 112.439 -176.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 34.5 p -75.03 -24.82 58.37 Favored 'General case' 0 N--CA 1.447 -0.6 0 N-CA-C 109.003 -0.739 . . . . 1.47 109.003 173.063 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -112.63 119.2 37.29 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 115.038 -0.983 . . . . 1.59 109.512 174.627 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.442 ' CG1' HG12 ' A' ' 105' ' ' ILE . 32.9 m -131.13 -166.78 0.49 Allowed 'Isoleucine or valine' 0 N--CA 1.433 -1.306 0 N-CA-C 108.269 -1.011 . . . . 1.6 108.269 178.268 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.52 ' HB3' ' HB2' ' A' ' 104' ' ' HIS . 43.6 tt0 -173.67 123.07 0.35 Allowed 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 118.149 0.431 . . . . 2.78 110.259 -172.359 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 4.2 m -127.67 132.82 49.64 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.207 0.527 . . . . 0.53 112.298 -173.384 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 8.3 m-85 -106.08 165.87 10.91 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 107.427 -1.323 . . . . 0.96 107.427 168.448 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . 0.523 ' HG2' ' O ' ' A' ' 128' ' ' LYS . 12.8 pt-20 -146.53 124.9 12.3 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 107.865 -1.161 . . . . 1.27 107.865 167.431 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . 0.497 ' HB2' ' HB3' ' A' ' 100' ' ' LEU . 15.5 m-85 -93.91 112.56 24.43 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.304 -0.862 . . . . 0.6 111.148 -170.837 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 59.3 mtt180 -120.95 142.34 49.84 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 108.639 -0.875 . . . . 3.41 108.639 174.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.99 146.69 25.25 Favored 'General case' 0 C--N 1.32 -0.695 0 C-N-CA 120.347 -0.541 . . . . 1.96 111.046 -177.435 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -136.97 68.09 1.43 Allowed 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.432 -0.804 . . . . 1.08 108.925 173.364 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 77.0 -110.49 3.03 Favored Glycine 0 N--CA 1.447 -0.594 0 CA-C-N 115.412 -0.813 . . . . 0.92 112.261 -178.667 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -93.12 8.76 38.8 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.158 0.504 . . . . 2.31 110.319 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . 0.572 ' CE2' ' HE3' ' A' ' 141' ' ' LYS . 97.8 m-85 -116.24 126.65 53.89 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.518 -0.765 . . . . 0.67 110.946 -179.428 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -88.97 120.88 30.78 Favored 'General case' 0 C--N 1.316 -0.857 0 N-CA-C 106.699 -1.593 . . . . 1.03 106.699 166.429 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 13.8 t -102.02 106.21 19.36 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.211 0 CA-C-O 121.454 0.645 . . . . 0.47 109.405 -173.089 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' MET . . . . . . . . . . . . . 6.6 ttm -81.1 120.36 24.74 Favored 'General case' 0 C--N 1.313 -0.983 0 CA-C-N 114.698 -1.137 . . . . 1.08 109.791 178.657 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . 0.523 ' O ' ' HG2' ' A' ' 117' ' ' GLU . 23.3 tptm -116.46 116.35 27.5 Favored 'General case' 0 C--N 1.314 -0.971 0 N-CA-C 108.831 -0.803 . . . . 2.2 108.831 179.568 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 129' ' ' MET . . . . . 0.41 ' CG ' HG23 ' A' ' 136' ' ' THR . 4.6 ptm -135.85 146.83 47.88 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-N 115.622 -0.717 . . . . 1.11 109.341 -176.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 10.4 p -147.46 137.67 23.12 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.067 0.46 . . . . 1.06 111.818 -174.483 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 131' ' ' TRP . . . . . 0.472 ' CD1' ' HG3' ' A' ' 132' ' ' LYS . 43.0 t-105 -145.27 131.06 19.04 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.486 -0.779 . . . . 0.76 109.778 176.312 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . 0.472 ' HG3' ' CD1' ' A' ' 131' ' ' TRP . 68.2 mttm 52.31 41.75 30.63 Favored 'General case' 0 C--N 1.329 -0.326 0 O-C-N 123.624 0.578 . . . . 1.96 111.138 -177.514 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 80.78 -23.12 4.45 Favored Glycine 0 CA--C 1.521 0.448 0 C-N-CA 120.963 -0.637 . . . . 0.53 112.982 179.807 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 13.4 t -69.69 102.96 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 N-CA-C 109.696 -0.483 . . . . 0.43 109.696 -179.159 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 1.9 m -99.8 139.47 35.43 Favored 'General case' 0 N--CA 1.433 -1.31 0 CA-C-N 115.85 -0.614 . . . . 1.14 110.517 -178.811 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 136' ' ' THR . . . . . 0.41 HG23 ' CG ' ' A' ' 129' ' ' MET . 3.3 t -138.07 140.22 39.92 Favored 'General case' 0 C--N 1.309 -1.168 0 CA-C-N 115.4 -0.818 . . . . 0.4 110.747 -179.325 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 17.0 m -116.61 109.24 16.96 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.59 -0.732 . . . . 0.79 109.649 176.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 138' ' ' ARG . . . . . 0.548 ' HE ' ' HB3' ' A' ' 16' ' ' ASP . 20.7 ttm180 -99.51 125.64 45.31 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.153 -0.476 . . . . 1.84 110.1 178.79 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 94.9 m-85 -97.29 110.5 23.04 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.238 0.542 . . . . 0.64 111.085 -173.375 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 52.3 m-85 -94.01 119.36 32.78 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.345 -0.843 . . . . 0.6 109.688 178.228 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 141' ' ' LYS . . . . . 0.572 ' HE3' ' CE2' ' A' ' 124' ' ' TYR . 1.5 tppp? -102.55 127.23 49.71 Favored 'General case' 0 C--O 1.207 -1.137 0 N-CA-C 108.193 -1.039 . . . . 1.92 108.193 -175.415 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 142' ' ' LYS . . . . . 0.677 ' HA ' ' HA ' ' A' ' 11' ' ' PHE . 84.2 tttt -38.63 158.54 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 124.645 1.178 . . . . 2.13 113.906 -172.788 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . 0.741 HE21 ' HG2' ' A' ' 12' ' ' LYS . 2.8 mt-30 . . . . . 0 C--O 1.247 0.946 0 O-C-N 120.9 -1.125 . . . . 1.46 110.598 164.145 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 38.7 m . . . . . 0 N--CA 1.446 -0.634 0 N-CA-C 108.186 -1.042 . . . . 0.99 108.186 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.614 HD23 ' HD2' ' A' ' 4' ' ' PRO . 0.2 OUTLIER -59.43 116.48 16.52 Favored Pre-proline 0 C--N 1.327 -0.377 0 O-C-N 123.335 0.397 . . . . 0.59 110.78 -175.382 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . 0.614 ' HD2' HD23 ' A' ' 3' ' ' LEU . 52.5 Cg_exo -54.29 126.26 21.58 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.793 2.329 . . . . 0.61 111.01 175.511 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -56.68 -22.53 35.42 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.879 -0.601 . . . . 2.19 112.529 -174.198 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 14.9 mmmm -63.8 -21.55 66.48 Favored 'General case' 0 N--CA 1.463 0.185 0 N-CA-C 111.854 0.316 . . . . 2.53 111.854 177.01 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -92.19 0.43 57.46 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 121.171 -0.212 . . . . 0.6 110.901 -178.427 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.556 HD23 ' HB3' ' A' ' 45' ' ' PHE . 96.2 mt -96.25 152.28 18.72 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.308 0.575 . . . . 0.46 111.745 -174.534 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 125.18 168.11 12.69 Favored Glycine 0 N--CA 1.444 -0.79 0 CA-C-N 115.222 -0.899 . . . . 0.52 112.027 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.531 HG23 ' HG2' ' A' ' 44' ' ' LYS . 93.2 m -96.62 120.41 36.89 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.572 -0.529 . . . . 1.05 109.572 175.261 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.463 ' HA ' ' HA ' ' A' ' 142' ' ' LYS . 51.0 m-85 -112.81 129.89 56.28 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.226 -0.443 . . . . 0.47 111.193 -174.347 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.718 ' HB3' ' NE2' ' A' ' 143' ' ' GLN . 21.9 ptmt -95.07 130.95 41.56 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 120.181 -0.608 . . . . 2.19 111.021 170.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.45 HD23 ' N ' ' A' ' 14' ' ' GLU . 4.9 tt -62.45 129.15 39.36 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-N 116.045 -0.525 . . . . 1.14 110.665 177.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.45 ' N ' HD23 ' A' ' 13' ' ' LEU . 32.6 tt0 -102.85 -52.47 3.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.148 -0.478 . . . . 2.08 110.786 176.543 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 24.7 ptt-85 -153.59 175.24 13.44 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.204 -0.453 . . . . 3.36 110.299 -172.626 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -166.02 175.96 8.12 Favored 'General case' 0 C--N 1.329 -0.308 0 O-C-N 122.965 0.166 . . . . 1.19 110.877 -179.388 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -149.05 132.34 16.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.182 -0.463 . . . . 2.66 111.168 -176.376 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 63.3 t30 71.21 23.5 4.06 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-O 121.59 0.71 . . . . 0.76 111.394 171.667 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 52.0 t80 -73.15 -40.21 65.06 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.788 -0.642 . . . . 0.49 111.175 -175.56 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.58 ' OD1' ' HE3' ' A' ' 24' ' ' LYS . 20.6 t70 -59.64 -48.85 80.05 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.849 0.357 . . . . 2.04 110.835 179.73 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 52.0 mm-40 -58.12 -38.09 75.84 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 115.986 -0.552 . . . . 1.79 110.935 178.752 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 77.4 t80 -59.24 -41.04 87.8 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 120.878 0.371 . . . . 0.57 110.655 174.816 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 85.2 mt -63.97 -40.23 95.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.253 -0.431 . . . . 0.37 110.355 -178.355 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.58 ' HE3' ' OD1' ' A' ' 20' ' ' ASP . 97.0 mttt -62.78 -46.22 89.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.025 -0.534 . . . . 1.88 110.438 178.241 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.03 -40.44 85.03 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.305 -0.861 . . . . 0.44 111.094 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 13.8 mmm180 -73.74 -8.04 54.45 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.916 -0.584 . . . . 1.29 111.773 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 96.68 12.82 49.39 Favored Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 120.475 -0.869 . . . . 0.62 112.782 175.58 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 63.3 m-85 -81.31 125.37 30.27 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.927 0.394 . . . . 0.64 110.605 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -75.23 -178.92 43.1 Favored Glycine 0 N--CA 1.447 -0.581 0 CA-C-N 115.565 -0.743 . . . . 1.54 112.982 -178.619 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.549 ' O ' ' HG2' ' A' ' 34' ' ' GLN . 84.1 t90 -53.59 -49.11 68.46 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 123.14 0.576 . . . . 1.18 111.52 -176.592 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.412 HD13 ' HA ' ' A' ' 31' ' ' ILE . 1.3 mm -56.06 -50.92 67.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 120.822 0.344 . . . . 2.16 111.37 179.037 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.531 ' O ' HG13 ' A' ' 36' ' ' ILE . 0.1 OUTLIER -57.07 -43.5 82.17 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.936 -0.575 . . . . 0.97 110.345 177.66 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 48.4 mtm105 -64.48 -23.19 67.19 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.541 -0.299 . . . . 1.87 111.234 178.654 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.549 ' HG2' ' O ' ' A' ' 30' ' ' TRP . 30.3 mm-40 -78.09 -31.26 50.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.777 0.322 . . . . 1.97 110.631 177.007 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.446 ' CG1' ' HG3' ' A' ' 64' ' ' LYS . 95.8 t -88.6 -65.14 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.674 0 CA-C-O 120.838 0.352 . . . . 0.68 111.158 -178.517 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.531 HG13 ' O ' ' A' ' 32' ' ' MET . 28.5 mt -47.11 -46.67 8.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 C-N-CA 124.007 0.923 . . . . 0.51 113.191 -177.545 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -75.19 -18.44 60.16 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.978 0.418 . . . . 0.97 111.66 -173.107 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.545 HD23 ' O ' ' A' ' 34' ' ' GLN . 4.0 mm? -104.66 1.77 29.83 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.901 0.382 . . . . 2.08 111.141 -176.596 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -84.09 126.67 33.31 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.156 -0.475 . . . . 1.03 110.844 179.58 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.402 ' O ' ' HA ' ' A' ' 62' ' ' THR . . . -75.57 142.65 29.27 Favored Glycine 0 N--CA 1.448 -0.549 0 N-CA-C 110.965 -0.854 . . . . 0.84 110.965 173.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 15.4 t -128.79 133.01 67.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-O 121.216 0.532 . . . . 1.3 111.73 -170.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 27.2 m -117.06 114.34 23.6 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.446 -0.797 . . . . 0.45 110.132 174.555 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.447 ' HE3' ' ND2' ' A' ' 60' ' ' ASN . 44.1 mmtm -90.28 135.22 33.81 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.566 -0.531 . . . . 0.79 109.566 178.251 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.531 ' HG2' HG23 ' A' ' 10' ' ' THR . 56.6 mtpt -129.29 102.27 6.36 Favored 'General case' 0 C--N 1.322 -0.622 0 C-N-CA 121.13 -0.228 . . . . 1.96 111.344 -177.06 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.556 ' HB3' HD23 ' A' ' 8' ' ' LEU . 59.0 m-85 -100.39 121.74 42.01 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.521 -0.548 . . . . 0.54 109.521 174.712 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.458 ' HG3' ' HB3' ' A' ' 57' ' ' ASP . 14.0 ptm180 -149.98 159.89 44.04 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 116.289 -0.414 . . . . 3.17 110.345 -179.192 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.517 ' HA ' ' CD2' ' A' ' 56' ' ' TYR . 13.0 p30 -68.59 153.46 43.73 Favored 'General case' 0 C--N 1.316 -0.861 0 N-CA-C 108.682 -0.859 . . . . 1.85 108.682 171.596 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -48.99 130.79 18.75 Favored 'General case' 0 CA--C 1.518 -0.274 0 CA-C-O 121.625 0.726 . . . . 0.87 111.501 -173.066 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.63 -34.79 77.76 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 114.412 -1.267 . . . . 1.48 111.792 -170.316 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 17.0 m -76.62 17.54 0.39 Allowed 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 112.262 0.467 . . . . 2.37 112.262 179.269 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 68.68 23.08 75.56 Favored Glycine 0 CA--C 1.517 0.17 0 C-N-CA 120.997 -0.62 . . . . 1.91 112.798 177.711 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.408 ' HB2' ' HE3' ' A' ' 52' ' ' LYS . 38.5 ttmt -86.21 116.53 66.15 Favored Pre-proline 0 N--CA 1.447 -0.613 0 N-CA-C 110.467 -0.197 . . . . 3.17 110.467 -177.277 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_exo -60.96 147.06 96.75 Favored 'Trans proline' 0 C--O 1.237 0.429 0 C-N-CA 123.123 2.549 . . . . 1.84 113.467 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 20.5 t70 80.95 -54.97 0.31 Allowed 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 114.548 -1.205 . . . . 2.44 110.014 174.339 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 9.9 mpt_? -63.64 143.4 57.86 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.259 -0.882 . . . . 4.1 111.632 174.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.517 ' CD2' ' HA ' ' A' ' 47' ' ' ASN . 73.5 m-85 -119.66 176.35 5.42 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.667 -0.697 . . . . 0.97 110.958 179.067 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.458 ' HB3' ' HG3' ' A' ' 46' ' ' ARG . 15.5 t70 -133.31 134.28 43.65 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 108.361 -0.977 . . . . 1.1 108.361 178.401 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.431 ' HA ' ' O ' ' A' ' 44' ' ' LYS . 12.1 tpt -137.19 129.77 30.05 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.609 0.242 . . . . 0.98 111.382 -172.694 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.437 ' HG2' ' HA ' ' A' ' 68' ' ' HIS . 41.3 mt-10 -124.85 142.68 51.27 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.36 0.6 . . . . 1.11 111.651 178.858 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.447 ' ND2' ' HE3' ' A' ' 43' ' ' LYS . 0.9 OUTLIER -122.03 72.06 1.02 Allowed 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.305 -0.998 . . . . 1.17 108.305 176.601 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 93.8 mt -74.89 141.66 44.14 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.016 -0.538 . . . . 1.67 111.11 -173.79 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.402 ' HA ' ' O ' ' A' ' 40' ' ' GLY . 43.0 p -139.69 -158.38 0.85 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.351 -0.386 . . . . 0.45 110.28 -178.215 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 65.0 p -96.5 -30.86 13.1 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.163 0.506 . . . . 0.54 111.254 -178.67 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.446 ' HG3' ' CG1' ' A' ' 35' ' ' VAL . 74.4 mmtt -110.01 -21.95 12.06 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.051 -0.522 . . . . 2.24 111.04 -175.187 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.516 ' HG3' ' O ' ' A' ' 83' ' ' LEU . 0.3 OUTLIER -135.77 -155.54 0.64 Allowed 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.094 -0.503 . . . . 1.82 110.795 -173.064 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 165.85 132.95 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.121 -0.945 . . . . 2.12 109.655 -168.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 37.8 p -126.5 143.63 51.13 Favored 'General case' 0 C--N 1.316 -0.888 0 N-CA-C 108.974 -0.751 . . . . 0.56 108.974 171.818 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.437 ' HA ' ' HG2' ' A' ' 59' ' ' GLU . 23.4 t-160 -136.88 87.71 2.31 Favored 'General case' 0 C--N 1.316 -0.881 0 N-CA-C 109.555 -0.535 . . . . 1.95 109.555 179.044 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.405 ' O ' ' HD1' ' A' ' 72' ' ' TRP . 22.2 m-70 -75.26 80.16 2.37 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.259 -0.882 . . . . 0.39 109.928 -178.524 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.408 ' HA ' ' OD2' ' A' ' 57' ' ' ASP . 26.1 mtmt -70.87 122.37 19.81 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.829 0.677 . . . . 2.3 112.829 177.601 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 65.09 68.63 0.5 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.016 -0.993 . . . . 2.07 111.777 167.155 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' TRP . . . . . 0.405 ' HD1' ' O ' ' A' ' 69' ' ' HIS . 62.7 p-90 -114.1 140.74 48.24 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 120.845 0.355 . . . . 0.43 110.395 175.588 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.408 ' HB3' ' HB2' ' A' ' 76' ' ' GLU . . . -97.93 142.42 29.68 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 109.227 -0.657 . . . . 0.55 109.227 172.501 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.448 HD21 HD23 ' A' ' 94' ' ' LEU . 3.4 mt -59.11 123.44 16.62 Favored 'General case' 0 C--N 1.311 -1.096 0 CA-C-O 121.202 0.525 . . . . 1.71 110.069 169.714 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 91.01 17.23 52.16 Favored Glycine 0 N--CA 1.448 -0.508 0 CA-C-N 115.722 -0.672 . . . . 0.59 112.397 -173.003 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.408 ' HB2' ' HB3' ' A' ' 73' ' ' ALA . 9.2 tp10 -113.32 154.75 26.35 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.163 0.506 . . . . 2.37 110.749 -178.644 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -127.6 106.16 8.97 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 108.045 -1.094 . . . . 1.4 108.045 -178.774 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 53.0 p90 -123.13 156.11 35.65 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 120.727 0.298 . . . . 0.57 111.522 -168.335 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 10.4 tt0 -79.39 141.88 36.49 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.471 -0.566 . . . . 1.95 109.471 175.613 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -151.96 158.6 43.35 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.545 -0.298 . . . . 1.26 111.533 -169.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -93.28 92.49 7.73 Favored 'General case' 0 CA--C 1.519 -0.229 0 N-CA-C 108.146 -1.057 . . . . 2.13 108.146 173.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -75.66 160.46 30.05 Favored 'General case' 0 C--N 1.312 -1.063 0 N-CA-C 113.671 0.989 . . . . 0.95 113.671 -166.528 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.516 ' O ' ' HG3' ' A' ' 65' ' ' LYS . 14.5 tp -60.74 -29.31 69.31 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 113.567 -1.651 . . . . 1.34 111.075 -177.378 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -81.69 20.54 0.92 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.935 -0.575 . . . . 1.55 111.79 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 42.8 m 64.2 30.76 13.53 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 115.652 -0.704 . . . . 1.21 112.477 170.149 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 36.9 p -130.67 172.2 12.23 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 121.069 0.461 . . . . 0.93 110.163 176.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 12.5 mm100 -108.88 119.27 39.04 Favored 'General case' 0 C--N 1.317 -0.839 0 N-CA-C 108.226 -1.027 . . . . 1.88 108.226 176.378 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . 0.651 ' CB ' ' HA ' ' A' ' 106' ' ' LYS . 25.8 p80 -161.83 179.47 8.05 Favored 'General case' 0 C--N 1.32 -0.714 0 C-N-CA 120.345 -0.542 . . . . 1.04 111.713 178.684 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 61.8 pttt -88.96 154.92 19.84 Favored 'General case' 0 N--CA 1.442 -0.856 0 CA-C-N 115.663 -0.699 . . . . 1.49 110.499 -175.231 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 51.9 mt -142.37 129.25 19.11 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.007 0 CA-C-N 114.85 -1.068 . . . . 0.54 110.005 -177.821 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 1.3 m -105.15 133.17 50.37 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 115.975 -0.557 . . . . 0.43 110.832 -179.752 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -107.87 129.46 55.08 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 108.615 -0.883 . . . . 0.6 108.615 172.177 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -147.34 136.71 22.61 Favored 'General case' 0 C--N 1.315 -0.913 0 C-N-CA 121.11 -0.236 . . . . 1.69 110.395 -174.457 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.448 HD23 HD21 ' A' ' 74' ' ' LEU . 0.2 OUTLIER -90.46 109.62 20.75 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 108.693 -0.855 . . . . 1.12 108.693 175.66 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 33.8 tttm -79.86 -43.86 21.54 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.649 0.738 . . . . 3.03 109.522 -172.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -155.5 159.38 31.71 Favored Pre-proline 0 C--N 1.315 -0.913 0 N-CA-C 107.383 -1.34 . . . . 1.79 107.383 175.403 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 34.3 Cg_exo -60.81 4.06 0.24 Allowed 'Trans proline' 0 N--CA 1.476 0.478 0 C-N-CA 123.316 2.678 . . . . 0.98 114.668 -172.123 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . 0.403 ' O ' ' HA ' ' A' ' 119' ' ' ARG . 28.3 t-20 -124.99 -4.71 7.48 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.519 0.199 . . . . 2.32 110.901 177.595 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 70.3 m -141.59 117.41 10.45 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-O 121.511 0.672 . . . . 0.56 112.792 -176.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.608 HD23 ' N ' ' A' ' 101' ' ' THR . 7.4 tt -90.99 146.13 24.12 Favored 'General case' 0 C--O 1.222 -0.351 0 N-CA-C 108.189 -1.041 . . . . 1.1 108.189 172.47 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.608 ' N ' HD23 ' A' ' 100' ' ' LEU . 15.6 p -122.23 131.76 54.09 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 118.311 0.505 . . . . 0.41 111.316 178.251 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 56.2 tt0 -113.51 109.81 19.26 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.155 -0.683 . . . . 1.31 109.155 176.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 11.9 m -101.36 114.91 29.33 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.228 -0.442 . . . . 0.51 110.851 -175.019 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' HIS . . . . . 0.48 ' HE1' ' CE2' ' A' ' 116' ' ' TYR . 19.3 m170 -93.3 115.31 27.89 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.844 -0.428 . . . . 1.69 109.844 179.231 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.509 HG12 HG12 ' A' ' 113' ' ' VAL . 24.4 mt -122.13 117.9 53.76 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.321 0 CA-C-O 121.447 0.642 . . . . 0.75 111.338 179.161 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.651 ' HA ' ' CB ' ' A' ' 88' ' ' HIS . 98.2 mttt -66.41 118.35 9.93 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 115.34 -0.845 . . . . 1.61 111.58 178.172 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.472 ' H ' ' CB ' ' A' ' 88' ' ' HIS . 15.5 m -58.15 -22.88 20.35 Favored 'Isoleucine or valine' 0 C--O 1.233 0.205 0 CA-C-N 115.285 -0.87 . . . . 1.32 111.268 176.796 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -87.59 -50.16 6.7 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.847 -0.615 . . . . 2.5 110.531 177.473 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . 0.587 ' O ' ' HB2' ' A' ' 106' ' ' LYS . 13.5 t70 -130.13 89.29 45.64 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.367 0.604 . . . . 2.39 110.111 -178.141 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -74.88 6.02 3.58 Favored 'Trans proline' 0 N--CA 1.462 -0.373 0 C-N-CA 123.221 2.614 . . . . 0.9 113.212 -177.63 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 18.1 p -94.12 -22.5 18.43 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.961 0.41 . . . . 1.47 110.859 176.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -93.53 53.54 1.89 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.512 0.672 . . . . 1.59 109.527 175.649 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.509 HG12 HG12 ' A' ' 105' ' ' ILE . 9.9 m -67.42 178.87 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.13 -0.941 . . . . 1.6 112.205 177.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -163.14 137.29 6.1 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.541 -0.754 . . . . 2.78 109.48 178.733 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 92.4 m -129.13 121.22 27.3 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.38 0.609 . . . . 0.53 111.935 -177.189 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' TYR . . . . . 0.48 ' CE2' ' HE1' ' A' ' 104' ' ' HIS . 11.1 m-30 -103.65 153.03 21.09 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 107.249 -1.389 . . . . 0.96 107.249 170.475 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . 0.493 ' HG2' HG22 ' A' ' 101' ' ' THR . 24.4 mt-10 -131.92 131.99 43.17 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 108.075 -1.083 . . . . 1.27 108.075 178.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . 0.477 ' HB2' ' HB3' ' A' ' 100' ' ' LEU . 80.9 m-85 -105.8 100.22 9.79 Favored 'General case' 0 C--N 1.314 -0.964 0 N-CA-C 109.935 -0.394 . . . . 0.6 109.935 -179.865 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . 0.415 ' NH1' ' HB2' ' A' ' 121' ' ' ASP . 0.0 OUTLIER -111.47 154.16 25.11 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 120.611 -0.435 . . . . 3.41 110.418 179.654 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 27.5 tpt180 -107.51 124.39 49.83 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.594 -0.276 . . . . 1.96 110.38 -175.673 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' ASP . . . . . 0.415 ' HB2' ' NH1' ' A' ' 119' ' ' ARG . 27.4 t70 -131.45 113.12 13.32 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 110.036 -0.357 . . . . 1.08 110.036 178.415 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 65.78 -113.35 5.69 Favored Glycine 0 N--CA 1.446 -0.658 0 N-CA-C 111.399 -0.681 . . . . 0.92 111.399 -177.299 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -116.06 11.62 15.38 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.88 0.371 . . . . 2.31 110.456 177.703 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 91.2 m-85 -111.72 141.96 44.66 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.27 0.557 . . . . 0.67 111.144 -179.36 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.428 HD21 ' HB3' ' A' ' 118' ' ' TYR . 3.1 tm? -82.67 115.69 21.72 Favored 'General case' 0 N--CA 1.445 -0.719 0 N-CA-C 106.749 -1.574 . . . . 1.03 106.749 168.749 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 60.3 t -103.09 107.75 22.8 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.96 0 CA-C-O 121.454 0.645 . . . . 0.47 109.723 -173.59 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' MET . . . . . 0.451 ' HB3' ' HB2' ' A' ' 138' ' ' ARG . 9.2 tpt -70.04 121.14 16.86 Favored 'General case' 0 N--CA 1.44 -0.926 0 CA-C-N 114.601 -1.181 . . . . 1.08 109.418 179.654 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . 0.444 ' HB3' ' HB2' ' A' ' 117' ' ' GLU . 25.9 tptp -118.35 88.7 2.97 Favored 'General case' 0 C--N 1.313 -0.984 0 CA-C-O 121.761 0.791 . . . . 2.2 109.149 -175.204 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 129' ' ' MET . . . . . 0.455 ' HB2' ' CG2' ' A' ' 136' ' ' THR . 42.5 mtp -103.91 135.66 45.01 Favored 'General case' 0 C--N 1.318 -0.801 0 N-CA-C 108.85 -0.796 . . . . 1.11 108.85 -178.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . 0.534 ' HA ' ' O ' ' A' ' 134' ' ' VAL . 8.3 m -145.94 136.61 24.24 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.392 0.615 . . . . 1.06 111.531 -178.273 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 131' ' ' TRP . . . . . 0.519 ' CD1' ' HD3' ' A' ' 132' ' ' LYS . 61.2 t-105 -151.53 130.64 12.67 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 114.687 -1.142 . . . . 0.76 109.49 178.45 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . 0.519 ' HD3' ' CD1' ' A' ' 131' ' ' TRP . 6.1 mptp? 49.53 44.46 24.18 Favored 'General case' 0 C--N 1.332 -0.189 0 O-C-N 123.637 0.586 . . . . 1.96 111.753 -175.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 82.97 -18.12 18.23 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.932 -0.651 . . . . 0.53 113.512 177.34 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . 0.534 ' O ' ' HA ' ' A' ' 130' ' ' SER . 15.8 t -79.27 107.26 11.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.973 0.387 . . . . 0.43 110.466 -178.199 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -104.28 127.59 51.94 Favored 'General case' 0 N--CA 1.444 -0.734 0 CA-C-O 121.383 0.611 . . . . 1.14 111.487 178.088 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 136' ' ' THR . . . . . 0.455 ' CG2' ' HB2' ' A' ' 129' ' ' MET . 3.6 t -115.6 129.32 56.47 Favored 'General case' 0 C--N 1.314 -0.969 0 CA-C-N 115.261 -0.881 . . . . 0.4 109.909 177.771 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 137' ' ' SER . . . . . 0.441 ' HA ' ' O ' ' A' ' 127' ' ' MET . 22.6 m -107.99 113.05 25.95 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.981 -0.554 . . . . 0.79 109.785 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 138' ' ' ARG . . . . . 0.451 ' HB2' ' HB3' ' A' ' 127' ' ' MET . 25.0 mtp180 -108.47 123.5 48.98 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 109.69 -0.485 . . . . 1.84 109.69 -178.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 75.9 m-85 -90.2 107.39 19.1 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-O 121.393 0.616 . . . . 0.64 110.857 -173.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 140' ' ' TYR . . . . . 0.416 ' CE1' ' HG2' ' A' ' 43' ' ' LYS . 65.2 m-85 -99.86 120.41 39.72 Favored 'General case' 0 N--CA 1.443 -0.799 0 CA-C-N 114.865 -1.061 . . . . 0.6 109.608 177.412 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 141' ' ' LYS . . . . . 0.57 ' HG3' ' O ' ' A' ' 142' ' ' LYS . 17.5 ptpt -95.37 162.36 13.7 Favored 'General case' 0 C--N 1.312 -1.058 0 N-CA-C 107.029 -1.471 . . . . 1.92 107.029 174.442 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 142' ' ' LYS . . . . . 0.57 ' O ' ' HG3' ' A' ' 141' ' ' LYS . 39.0 tttt -61.33 -178.95 0.14 Allowed 'General case' 0 C--N 1.312 -1.022 0 CA-C-N 118.816 0.734 . . . . 2.13 110.633 173.733 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . 0.718 ' NE2' ' HB3' ' A' ' 12' ' ' LYS . 65.4 mm-40 . . . . . 0 C--O 1.248 1.013 0 O-C-N 121.506 -0.746 . . . . 1.46 110.321 163.297 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.742 ' HA ' ' OH ' ' A' ' 56' ' ' TYR . 0.7 OUTLIER . . . . . 0 N--CA 1.447 -0.613 0 CA-C-O 121.043 0.449 . . . . 0.99 110.763 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.44 ' HA ' HD23 ' A' ' 3' ' ' LEU . 5.7 mt -57.12 126.99 75.3 Favored Pre-proline 0 C--N 1.323 -0.55 0 CA-C-N 115.018 -0.992 . . . . 0.59 111.489 179.471 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_exo -60.12 131.02 36.86 Favored 'Trans proline' 0 N--CA 1.455 -0.747 0 C-N-CA 122.475 2.117 . . . . 0.61 110.875 172.188 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -50.94 -26.22 5.65 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 115.647 -0.706 . . . . 2.19 111.771 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.412 ' O ' ' HD3' ' A' ' 120' ' ' ARG . 75.8 mmtt -57.76 -22.63 48.01 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.478 0.547 . . . . 2.53 112.478 176.842 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 23.8 m-85 -104.36 -1.56 26.71 Favored 'General case' 0 C--O 1.225 -0.215 0 O-C-N 121.639 -0.663 . . . . 0.6 110.74 178.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.568 HD23 ' HB3' ' A' ' 45' ' ' PHE . 95.6 mt -101.6 152.98 20.16 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.154 0.502 . . . . 0.46 111.703 -173.219 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 123.01 -117.75 3.36 Favored Glycine 0 N--CA 1.445 -0.737 0 CA-C-N 115.408 -0.815 . . . . 0.52 111.658 -179.34 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.56 ' O ' ' HD2' ' A' ' 142' ' ' LYS . 12.4 t -167.7 136.03 2.45 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.362 0.601 . . . . 1.05 110.111 178.54 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.45 ' HB3' ' HB3' ' A' ' 140' ' ' TYR . 67.0 m-85 -130.98 127.74 38.99 Favored 'General case' 0 C--N 1.311 -1.085 0 CA-C-N 115.547 -0.751 . . . . 0.47 111.711 -175.494 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.462 ' HB3' HE21 ' A' ' 143' ' ' GLN . 0.0 OUTLIER -95.9 135.93 36.99 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 120.139 -0.624 . . . . 2.19 109.419 169.66 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.424 ' HA ' ' HA ' ' A' ' 140' ' ' TYR . 6.7 tt -59.06 129.69 43.38 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.104 0.478 . . . . 1.14 111.157 -178.595 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -97.53 -52.59 3.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.864 -0.607 . . . . 2.08 110.143 -178.753 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 34.7 ptt-85 -154.9 175.82 13.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.798 0.332 . . . . 3.36 110.765 -176.777 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -149.4 158.11 43.89 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.19 -0.459 . . . . 1.19 110.549 179.491 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 37.3 mm-40 -136.14 123.6 22.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.31 -0.404 . . . . 2.66 111.019 -177.723 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 4.0 t30 69.17 29.31 4.7 Favored 'General case' 0 N--CA 1.475 0.806 0 CA-C-O 121.797 0.808 . . . . 0.76 111.116 174.28 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 31.9 t80 -72.89 -42.42 63.6 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.374 -0.83 . . . . 0.49 110.888 -175.16 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -52.56 -57.04 11.24 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 116.126 -0.488 . . . . 2.04 111.521 176.836 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -56.14 -38.81 71.33 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 116.434 -0.348 . . . . 1.79 111.56 -179.703 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 60.2 t80 -58.82 -41.74 87.56 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 120.751 -0.38 . . . . 0.57 111.017 176.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 90.6 mt -65.8 -37.25 85.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.829 0.347 . . . . 0.37 110.883 -178.098 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 50.4 mtpt -64.87 -44.01 91.09 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.849 -0.614 . . . . 1.88 109.906 178.434 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.91 -40.36 84.3 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.285 -0.87 . . . . 0.44 110.893 176.054 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.498 ' NH1' ' HB2' ' A' ' 114' ' ' GLU . 16.6 mmm180 -65.11 -17.25 64.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.694 -0.685 . . . . 1.29 111.536 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 94.72 15.94 44.2 Favored Glycine 0 N--CA 1.443 -0.877 0 C-N-CA 120.597 -0.811 . . . . 0.62 112.258 -178.464 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 47.7 m-85 -84.11 125.58 32.27 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.889 0.376 . . . . 0.64 110.035 177.456 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.501 ' O ' ' HG3' ' A' ' 33' ' ' ARG . . . -77.6 -178.08 47.7 Favored Glycine 0 N--CA 1.443 -0.899 0 CA-C-N 115.659 -0.7 . . . . 1.54 111.856 179.651 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.568 ' O ' ' HG2' ' A' ' 34' ' ' GLN . 82.7 t90 -51.14 -49.94 59.86 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 111.918 0.34 . . . . 1.18 111.918 -175.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.419 HD13 ' HA ' ' A' ' 31' ' ' ILE . 1.6 mm -56.16 -55.5 18.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 N-CA-C 112.3 0.481 . . . . 2.16 112.3 -177.737 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.451 ' O ' HG13 ' A' ' 36' ' ' ILE . 54.9 mmm -57.52 -39.36 76.4 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 121.136 -0.226 . . . . 0.97 111.324 179.255 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.501 ' HG3' ' O ' ' A' ' 29' ' ' GLY . 61.1 mtm-85 -65.64 -26.38 67.79 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.815 -0.354 . . . . 1.87 110.628 179.23 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.568 ' HG2' ' O ' ' A' ' 30' ' ' TRP . 27.5 mm-40 -74.56 -26.43 59.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.078 0.466 . . . . 1.97 110.359 177.872 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.494 HG13 ' HE3' ' A' ' 64' ' ' LYS . 76.3 t -85.23 -65.17 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 120.942 0.401 . . . . 0.68 110.805 177.259 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.451 HG13 ' O ' ' A' ' 32' ' ' MET . 54.2 mt -47.62 -39.73 7.04 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.49 0 C-N-CA 124.003 0.921 . . . . 0.51 113.018 -178.007 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.432 ' HB2' ' O ' ' A' ' 33' ' ' ARG . 18.9 mtpp -72.64 -27.72 62.3 Favored 'General case' 0 N--CA 1.466 0.333 0 N-CA-C 112.388 0.514 . . . . 0.97 112.388 -179.003 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.553 HD23 ' O ' ' A' ' 34' ' ' GLN . 4.2 mm? -100.17 -1.57 36.25 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.839 0.352 . . . . 2.08 111.665 -173.022 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -84.13 115.6 22.48 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-O 120.876 0.37 . . . . 1.03 110.834 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.515 ' O ' ' HA ' ' A' ' 62' ' ' THR . . . -72.34 146.77 39.7 Favored Glycine 0 N--CA 1.447 -0.596 0 N-CA-C 110.802 -0.919 . . . . 0.84 110.802 174.859 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.794 ' HB ' HG22 ' A' ' 62' ' ' THR . 1.3 p -144.69 138.95 23.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-O 121.77 0.795 . . . . 1.3 112.365 -175.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 86.1 m -123.72 139.78 53.64 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 114.58 -1.191 . . . . 0.45 109.869 178.371 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.443 ' HE2' ' HE3' ' A' ' 127' ' ' MET . 40.6 mttp -117.65 135.0 54.29 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.916 0.389 . . . . 0.79 110.799 -179.631 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.444 ' HG2' ' OG1' ' A' ' 10' ' ' THR . 46.2 mtpt -132.28 120.13 21.73 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.179 -0.464 . . . . 1.96 110.823 -172.33 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.568 ' HB3' HD23 ' A' ' 8' ' ' LEU . 45.7 m-85 -113.14 133.98 54.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.307 -0.406 . . . . 0.54 110.635 -179.727 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.486 ' HG3' ' O ' ' A' ' 47' ' ' ASN . 6.9 ptp180 -156.08 166.01 34.73 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.691 0.281 . . . . 3.17 110.626 178.291 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.486 ' O ' ' HG3' ' A' ' 46' ' ' ARG . 54.0 m-80 -65.65 153.1 42.58 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 108.462 -0.94 . . . . 1.85 108.462 170.161 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.479 ' N ' ' HA ' ' A' ' 56' ' ' TYR . . . -47.96 133.73 14.31 Favored 'General case' 0 CA--C 1.515 -0.376 0 CA-C-O 121.656 0.741 . . . . 0.87 111.918 -173.176 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.47 -39.47 83.79 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 114.039 -1.437 . . . . 1.48 111.859 -173.224 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 50.8 m -79.43 12.15 2.61 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 112.211 0.449 . . . . 2.37 112.211 178.434 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 68.34 29.96 73.3 Favored Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 121.06 -0.591 . . . . 1.91 113.878 176.35 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.538 ' HD2' ' OD1' ' A' ' 71' ' ' ASP . 91.6 mttt -84.83 120.0 73.33 Favored Pre-proline 0 C--N 1.325 -0.491 0 CA-C-N 116.975 0.387 . . . . 3.17 110.077 177.018 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.459 ' O ' ' HB2' ' A' ' 54' ' ' ASP . 75.2 Cg_exo -55.26 142.71 78.29 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.963 2.442 . . . . 1.84 112.587 177.862 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.459 ' HB2' ' O ' ' A' ' 53' ' ' PRO . 48.6 m-20 84.22 -53.75 0.12 Allowed 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 114.932 -1.031 . . . . 2.44 110.199 176.735 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.44 ' HG2' ' HB2' ' A' ' 73' ' ' ALA . 74.5 mtt180 -66.13 152.78 44.02 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 112.744 0.646 . . . . 4.1 112.744 178.267 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.742 ' OH ' ' HA ' ' A' ' 2' ' ' THR . 28.6 m-85 -129.1 178.65 6.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.245 -0.888 . . . . 0.97 110.505 -178.562 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -131.54 135.72 47.27 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.377 -0.829 . . . . 1.1 108.877 174.691 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 8.0 tpt -138.51 131.83 30.25 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.508 0.194 . . . . 0.98 110.577 -176.327 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -127.09 146.26 50.44 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.267 0.556 . . . . 1.11 112.121 -175.773 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.478 ' HB2' ' OG1' ' A' ' 67' ' ' THR . 37.7 m-80 -123.75 101.58 7.36 Favored 'General case' 0 CA--C 1.515 -0.392 0 N-CA-C 108.353 -0.98 . . . . 1.17 108.353 172.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.54 ' O ' ' HA ' ' A' ' 41' ' ' VAL . 75.3 mt -97.12 112.5 24.25 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.86 -0.609 . . . . 1.67 110.903 -176.558 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.794 HG22 ' HB ' ' A' ' 41' ' ' VAL . 12.9 p -120.94 -170.7 2.05 Favored 'General case' 0 N--CA 1.445 -0.72 0 N-CA-C 109.243 -0.651 . . . . 0.45 109.243 178.498 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 43.0 p -90.15 -25.84 20.48 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-O 120.956 0.408 . . . . 0.54 111.038 -177.738 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.494 ' HE3' HG13 ' A' ' 35' ' ' VAL . 74.5 mmtt -104.11 -25.13 13.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 2.24 111.689 -172.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.432 ' HG2' ' O ' ' A' ' 82' ' ' ALA . 26.8 tptp -157.3 134.04 10.03 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.975 0.417 . . . . 1.82 110.751 178.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -106.23 134.65 49.03 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 109.445 -0.576 . . . . 2.12 109.445 175.173 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.48 HG22 ' O ' ' A' ' 81' ' ' GLU . 69.0 p -115.93 151.42 35.4 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 109.494 -0.558 . . . . 0.56 109.494 177.74 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 9.8 t-160 -145.05 96.72 2.9 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 109.625 -0.509 . . . . 1.95 109.625 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 6.5 m-70 -72.27 88.08 1.15 Allowed 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.603 -0.726 . . . . 0.39 109.092 178.137 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 84.5 mttt -77.65 117.83 19.44 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.263 -0.881 . . . . 2.3 112.409 -176.788 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.538 ' OD1' ' HD2' ' A' ' 52' ' ' LYS . 11.9 t70 61.75 60.18 1.64 Allowed 'General case' 0 C--O 1.235 0.336 0 O-C-N 123.809 0.693 . . . . 2.07 111.603 165.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 67.2 p-90 -108.2 145.62 33.97 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.399 -0.364 . . . . 0.43 110.513 -178.388 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.635 ' O ' ' HB2' ' A' ' 76' ' ' GLU . . . -106.04 143.76 33.71 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 110.159 -0.312 . . . . 0.55 110.159 176.603 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.568 HD11 HD23 ' A' ' 94' ' ' LEU . 4.7 tt -59.79 120.97 10.56 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.595 -0.52 . . . . 1.71 109.595 171.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 96.07 10.83 55.79 Favored Glycine 0 N--CA 1.45 -0.422 0 CA-C-N 115.84 -0.618 . . . . 0.59 112.284 -173.637 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.635 ' HB2' ' O ' ' A' ' 73' ' ' ALA . 7.6 mm-40 -110.06 160.01 16.82 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.266 0.555 . . . . 2.37 111.278 -177.87 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.455 ' OE2' ' HD2' ' A' ' 89' ' ' LYS . 30.9 tt0 -131.48 110.1 10.76 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 114.882 -1.054 . . . . 1.4 108.804 -175.677 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 46.4 p90 -130.23 161.13 31.88 Favored 'General case' 0 C--N 1.319 -0.717 0 CA-C-N 116.178 -0.464 . . . . 0.57 110.711 -170.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 -92.99 153.0 18.99 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.364 0.602 . . . . 1.95 110.738 174.719 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.501 ' HB3' HD12 ' A' ' 90' ' ' ILE . 8.9 t70 -154.71 153.94 32.09 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.374 -0.83 . . . . 1.26 110.434 -174.074 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.48 ' O ' HG22 ' A' ' 67' ' ' THR . 7.0 pt-20 -88.18 87.41 7.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.925 0.869 . . . . 2.13 108.991 178.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.432 ' O ' ' HG2' ' A' ' 65' ' ' LYS . . . -78.64 171.67 14.8 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 114.423 -1.262 . . . . 0.95 113.514 -161.714 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 91.1 mt -55.0 -30.68 59.99 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 115.81 -0.632 . . . . 1.34 111.289 -178.364 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -76.96 21.1 0.22 Allowed 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.536 -0.757 . . . . 1.55 111.931 -178.043 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 16.1 m 77.62 -46.18 0.46 Allowed 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 123.904 0.882 . . . . 1.21 111.794 171.008 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 3.2 p -78.67 164.39 24.65 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 120.737 0.303 . . . . 0.93 110.365 176.271 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -110.42 141.84 42.95 Favored 'General case' 0 N--CA 1.44 -0.96 0 N-CA-C 109.384 -0.598 . . . . 1.88 109.384 177.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . 0.631 ' CB ' ' HA ' ' A' ' 106' ' ' LYS . 16.8 p80 -157.22 -176.12 5.79 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 116.249 -0.432 . . . . 1.04 111.879 -174.646 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.455 ' HD2' ' OE2' ' A' ' 77' ' ' GLU . 39.0 ttpt -73.1 142.9 47.54 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.092 -0.958 . . . . 1.49 111.048 -177.155 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.501 HD12 ' HB3' ' A' ' 80' ' ' ASP . 63.0 mt -145.63 128.85 10.48 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 115.474 -0.784 . . . . 0.54 110.063 177.52 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 2.2 m -109.57 139.86 44.07 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 120.833 0.349 . . . . 0.43 110.788 178.09 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.426 ' CD2' HD21 ' A' ' 100' ' ' LEU . 5.0 m-85 -116.9 128.29 55.09 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.099 -0.5 . . . . 0.6 109.671 175.139 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -159.92 151.7 20.19 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.97 -0.382 . . . . 1.69 109.97 -176.496 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.568 HD23 HD11 ' A' ' 74' ' ' LEU . 1.3 mm? -97.03 121.23 38.68 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 109.85 -0.426 . . . . 1.12 109.85 179.502 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 46.1 tptt -81.77 -48.13 12.02 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.883 -0.784 . . . . 3.03 108.883 -176.583 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -140.03 165.82 28.04 Favored Pre-proline 0 C--N 1.323 -0.563 0 N-CA-C 107.513 -1.291 . . . . 1.79 107.513 176.083 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 26.0 Cg_exo -64.56 2.33 1.3 Allowed 'Trans proline' 0 C--N 1.349 0.558 0 C-N-CA 122.958 2.439 . . . . 0.98 113.55 -173.705 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 74.2 m-20 -139.93 23.07 2.44 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.315 -0.402 . . . . 2.32 110.468 178.43 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.517 ' HA ' ' O ' ' A' ' 118' ' ' TYR . 85.6 m -151.03 108.59 3.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.229 0.538 . . . . 0.56 111.748 -179.077 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.566 ' HB3' ' HB2' ' A' ' 118' ' ' TYR . 6.4 tt -90.51 137.28 32.48 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.38 -0.97 . . . . 1.1 108.38 175.331 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.564 ' N ' HD23 ' A' ' 100' ' ' LEU . 3.6 p -114.36 126.48 55.04 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 120.854 0.359 . . . . 0.41 110.967 178.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.406 ' HG3' ' CE1' ' A' ' 92' ' ' PHE . 49.4 tt0 -115.86 109.43 17.62 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.856 -0.611 . . . . 1.31 109.765 178.349 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . 0.426 ' O ' ' HA ' ' A' ' 90' ' ' ILE . 7.6 m -98.35 110.14 22.78 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.372 -0.376 . . . . 0.51 110.761 -175.752 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 29.0 m-70 -93.14 100.22 12.65 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.284 -0.417 . . . . 1.69 110.258 -179.408 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.589 ' HA ' HG12 ' A' ' 113' ' ' VAL . 30.0 mt -108.49 118.19 55.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 121.458 0.647 . . . . 0.75 111.723 179.718 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.631 ' HA ' ' CB ' ' A' ' 88' ' ' HIS . 46.5 mtpt -69.93 124.73 24.78 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.438 -0.801 . . . . 1.61 112.305 179.54 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.491 HG23 ' HA ' ' A' ' 88' ' ' HIS . 93.9 t -63.65 -30.91 51.12 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.725 0 CA-C-N 114.547 -1.206 . . . . 1.32 109.891 173.254 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -70.35 -45.58 65.84 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 114.709 -1.132 . . . . 2.5 110.399 179.549 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . 0.514 ' O ' ' HB2' ' A' ' 106' ' ' LYS . 4.3 p-10 -158.7 107.02 1.62 Allowed Pre-proline 0 N--CA 1.453 -0.293 0 CA-C-O 121.698 0.761 . . . . 2.39 110.647 177.408 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . 0.413 ' HD2' ' HA ' ' A' ' 109' ' ' ASP . 70.1 Cg_endo -73.16 11.15 0.98 Allowed 'Trans proline' 0 CA--C 1.529 0.246 0 C-N-CA 123.527 2.818 . . . . 0.9 112.822 -179.689 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 39.2 p -90.92 -16.86 27.39 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.992 -0.549 . . . . 1.47 111.244 178.079 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -114.46 39.45 2.79 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.952 0.882 . . . . 1.59 109.866 -176.15 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.589 HG12 ' HA ' ' A' ' 105' ' ' ILE . 19.3 m -85.22 178.53 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 115.361 -0.836 . . . . 1.6 111.484 -175.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.498 ' HB2' ' NH1' ' A' ' 26' ' ' ARG . 8.7 tp10 -161.36 153.37 19.65 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.336 -0.393 . . . . 2.78 110.316 177.007 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 30.4 m -123.9 120.02 31.32 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.883 -0.599 . . . . 0.53 109.965 179.21 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 17.9 m-30 -95.23 146.94 23.98 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 107.788 -1.19 . . . . 0.96 107.788 176.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . 0.421 ' HB2' ' NH1' ' A' ' 119' ' ' ARG . 36.2 mt-10 -129.16 123.0 30.99 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.867 -0.79 . . . . 1.27 108.867 -178.407 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . 0.566 ' HB2' ' HB3' ' A' ' 100' ' ' LEU . 2.2 m-85 -98.44 122.12 41.23 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.378 -0.373 . . . . 0.6 110.755 -175.788 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . 0.421 ' NH1' ' HB2' ' A' ' 117' ' ' GLU . 0.0 OUTLIER -131.96 151.3 51.81 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 120.786 0.327 . . . . 3.41 110.375 173.033 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . 0.412 ' HD3' ' O ' ' A' ' 6' ' ' LYS . 9.0 tpt180 -101.31 105.86 16.98 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.34 -0.391 . . . . 1.96 110.449 -177.007 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -95.21 91.98 6.55 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.593 -0.521 . . . . 1.08 109.593 177.169 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 69.38 -100.15 0.71 Allowed Glycine 0 N--CA 1.446 -0.639 0 N-CA-C 111.124 -0.791 . . . . 0.92 111.124 -175.659 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -122.5 12.21 10.02 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.797 0.332 . . . . 2.31 111.003 176.151 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 92.7 m-85 -105.86 134.9 48.25 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.337 -0.392 . . . . 0.67 110.319 175.741 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -85.58 117.73 24.66 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 107.632 -1.247 . . . . 1.03 107.632 173.723 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 43.9 t -112.95 123.79 68.95 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.918 0 CA-C-O 121.39 0.614 . . . . 0.47 109.666 -174.56 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 127' ' ' MET . . . . . 0.525 ' HB3' ' HB3' ' A' ' 138' ' ' ARG . 20.7 ttm -105.19 140.42 38.38 Favored 'General case' 0 C--N 1.312 -1.024 0 CA-C-N 115.071 -0.968 . . . . 1.08 110.136 -179.786 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 38.8 tttm -112.47 126.21 55.07 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-N 115.851 -0.613 . . . . 2.2 109.386 176.768 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 49.4 mtp -124.62 119.81 30.09 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 107.985 -1.117 . . . . 1.11 107.985 177.083 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . 0.518 ' HB3' ' HB3' ' A' ' 135' ' ' SER . 2.7 p -141.02 125.57 17.77 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 120.995 0.426 . . . . 1.06 112.138 -172.58 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 131' ' ' TRP . . . . . . . . . . . . . 70.1 t-105 -139.26 128.06 23.41 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.575 -0.739 . . . . 0.76 110.236 -178.157 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 53.9 mtmt 47.2 48.24 16.07 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 115.746 -0.661 . . . . 1.96 112.3 -176.724 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 86.77 -36.15 3.3 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.996 -0.621 . . . . 0.53 113.435 177.558 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 20.0 t -74.16 111.17 9.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 121.146 0.498 . . . . 0.43 110.204 -176.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 135' ' ' SER . . . . . 0.518 ' HB3' ' HB3' ' A' ' 130' ' ' SER . 0.1 OUTLIER -111.09 143.44 41.81 Favored 'General case' 0 N--CA 1.443 -0.778 0 CA-C-N 115.771 -0.65 . . . . 1.14 111.745 -177.36 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 8.2 t -129.89 140.09 51.03 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.771 -0.649 . . . . 0.4 110.191 175.637 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 6.9 m -102.92 118.79 37.6 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.153 0.502 . . . . 0.79 109.87 177.714 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 138' ' ' ARG . . . . . 0.525 ' HB3' ' HB3' ' A' ' 127' ' ' MET . 4.5 tpt180 -96.84 110.65 23.1 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.463 -0.79 . . . . 1.84 108.921 -179.505 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 99.2 m-85 -96.37 111.91 23.83 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.987 0.422 . . . . 0.64 111.811 -172.458 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 140' ' ' TYR . . . . . 0.45 ' HB3' ' HB3' ' A' ' 11' ' ' PHE . 55.6 m-85 -107.23 136.68 46.64 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.696 -0.683 . . . . 0.6 110.619 177.597 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 8.2 ptpt -112.21 163.19 14.64 Favored 'General case' 0 C--O 1.21 -0.983 0 N-CA-C 108.053 -1.092 . . . . 1.92 108.053 173.092 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 142' ' ' LYS . . . . . 0.56 ' HD2' ' O ' ' A' ' 10' ' ' THR . 29.0 tptp -45.24 159.13 0.06 Allowed 'General case' 0 CA--C 1.547 0.846 0 CA-C-O 121.196 0.522 . . . . 2.13 111.708 173.109 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . 0.462 HE21 ' HB3' ' A' ' 12' ' ' LYS . 4.1 mt-30 . . . . . 0 C--O 1.247 0.923 0 O-C-N 120.815 -1.178 . . . . 1.46 109.946 159.136 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.431 ' O ' ' HD3' ' A' ' 4' ' ' PRO . 25.5 m . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.8 -0.445 . . . . 0.99 109.8 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.523 HD12 HD21 ' A' ' 8' ' ' LEU . 2.4 tm? -72.73 111.02 9.62 Favored Pre-proline 0 C--N 1.325 -0.459 0 N-CA-C 109.145 -0.687 . . . . 0.59 109.145 177.132 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . 0.431 ' HD3' ' O ' ' A' ' 2' ' ' THR . 53.3 Cg_exo -54.31 123.56 13.89 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.641 2.227 . . . . 0.61 112.04 -179.881 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . 0.519 ' HA ' HD12 ' A' ' 8' ' ' LEU . 23.2 m-20 -53.22 -22.33 6.61 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.278 -0.874 . . . . 2.19 112.735 -175.257 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 7.7 ptpp? -58.39 -27.71 64.52 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 111.72 0.267 . . . . 2.53 111.72 178.352 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 50.9 m-85 -85.03 -8.7 58.59 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.688 0.28 . . . . 0.6 110.744 -178.755 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.711 HD23 ' HB3' ' A' ' 45' ' ' PHE . 83.0 mt -99.27 145.17 27.58 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-O 121.145 0.498 . . . . 0.46 111.494 -169.491 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 138.01 -178.52 19.13 Favored Glycine 0 N--CA 1.446 -0.664 0 CA-C-N 115.522 -0.763 . . . . 0.52 111.954 -177.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.402 HG23 ' HG2' ' A' ' 44' ' ' LYS . 6.1 m -109.96 125.34 52.76 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.646 -0.501 . . . . 1.05 109.646 177.372 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.445 ' HA ' ' HA ' ' A' ' 142' ' ' LYS . 49.2 m-85 -124.36 137.56 54.46 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 111.657 0.243 . . . . 0.47 111.657 -175.016 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.713 ' HB3' ' NE2' ' A' ' 143' ' ' GLN . 15.1 ptmm? -103.78 132.03 50.42 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-O 120.994 0.425 . . . . 2.19 110.436 170.553 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.1 tt -49.73 123.65 8.28 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 115.845 -0.616 . . . . 1.14 111.059 -179.602 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -90.02 -55.13 3.74 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 116.43 -0.35 . . . . 2.08 110.622 179.541 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.404 HH11 ' HD3' ' A' ' 15' ' ' ARG . 13.5 ptt-85 -159.89 177.54 10.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.351 -0.386 . . . . 3.36 110.091 -178.246 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -135.88 172.43 13.03 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.744 0.307 . . . . 1.19 110.716 -178.515 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -155.4 110.3 2.98 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.06 -0.518 . . . . 2.66 110.468 -179.34 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 65.5 t30 72.03 20.08 4.45 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-O 121.765 0.793 . . . . 0.76 110.928 175.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 63.2 t80 -73.67 -39.1 64.68 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.446 -0.797 . . . . 0.49 110.991 -175.07 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.539 ' OD1' ' HE3' ' A' ' 24' ' ' LYS . 26.2 t70 -58.26 -51.45 69.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.555 -0.293 . . . . 2.04 110.998 178.092 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -53.48 -42.9 67.73 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 116.178 -0.464 . . . . 1.79 110.987 177.102 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 90.8 t80 -59.29 -40.07 85.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.829 -0.623 . . . . 0.57 111.005 177.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 77.1 mt -63.43 -40.37 96.99 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.827 0.346 . . . . 0.37 110.455 -178.627 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.539 ' HE3' ' OD1' ' A' ' 20' ' ' ASP . 94.0 mttt -60.79 -47.73 85.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.025 -0.534 . . . . 1.88 110.008 178.662 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.17 -36.14 72.6 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.067 -0.97 . . . . 0.44 110.856 178.697 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 14.1 mmm180 -73.95 -8.01 54.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.024 -0.535 . . . . 1.29 111.824 -179.688 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 111.11 -6.68 28.93 Favored Glycine 0 N--CA 1.446 -0.67 0 C-N-CA 120.784 -0.722 . . . . 0.62 112.308 176.263 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.455 ' HB3' ' HB2' ' A' ' 32' ' ' MET . 36.7 m-85 -79.15 99.46 6.99 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.038 0.447 . . . . 0.64 109.86 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -68.12 -55.28 13.7 Favored Glycine 0 N--CA 1.45 -0.371 0 CA-C-N 115.685 -0.689 . . . . 1.54 113.397 -173.253 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.463 ' O ' ' HG2' ' A' ' 34' ' ' GLN . 83.2 t90 -154.93 -54.53 0.09 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.996 0.398 . . . . 1.18 111.169 -177.642 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.443 HD13 ' HA ' ' A' ' 31' ' ' ILE . 1.6 mm -53.19 -55.2 13.58 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.239 0 CA-C-N 116.53 -0.305 . . . . 2.16 111.813 -177.831 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.48 ' O ' HG13 ' A' ' 36' ' ' ILE . 64.2 mmm -60.15 -36.6 77.91 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.416 -0.356 . . . . 0.97 111.16 179.805 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.458 ' HD2' ' OD2' ' A' ' 20' ' ' ASP . 47.1 mtm105 -63.26 -30.84 71.9 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.929 -0.309 . . . . 1.87 110.662 177.871 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.509 ' O ' HD23 ' A' ' 38' ' ' LEU . 29.6 mm-40 -68.68 -30.79 69.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.123 0.487 . . . . 1.97 110.375 178.254 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.505 ' CG1' ' HG3' ' A' ' 64' ' ' LYS . 95.2 t -86.92 -65.28 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.208 -0.451 . . . . 0.68 111.548 179.564 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.48 HG13 ' O ' ' A' ' 32' ' ' MET . 61.0 mt -44.47 -44.02 2.34 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.501 0 N-CA-C 113.881 1.067 . . . . 0.51 113.881 -177.487 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 51.6 mtmt -74.63 -28.42 60.87 Favored 'General case' 0 N--CA 1.466 0.33 0 N-CA-C 111.97 0.359 . . . . 0.97 111.97 -176.596 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.509 HD23 ' O ' ' A' ' 34' ' ' GLN . 4.4 mm? -89.82 -11.95 40.57 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.035 0.445 . . . . 2.08 110.541 -174.81 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -78.1 113.62 16.2 Favored 'General case' 0 N--CA 1.445 -0.687 0 CA-C-N 115.633 -0.712 . . . . 1.03 110.65 178.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.654 ' O ' ' HA ' ' A' ' 62' ' ' THR . . . -68.1 141.02 36.94 Favored Glycine 0 N--CA 1.448 -0.515 0 N-CA-C 110.849 -0.9 . . . . 0.84 110.849 175.884 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.551 HG21 HH12 ' A' ' 138' ' ' ARG . 41.3 t -124.09 123.63 67.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-O 121.131 0.491 . . . . 1.3 111.202 -174.152 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 29.5 m -110.33 115.44 29.68 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.762 -0.653 . . . . 0.45 110.008 176.121 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.504 ' HE3' ' HE3' ' A' ' 127' ' ' MET . 74.2 mmtt -87.99 133.41 33.96 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.33 -0.395 . . . . 0.79 110.137 179.374 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.559 ' O ' ' HA ' ' A' ' 58' ' ' MET . 65.8 mttm -123.2 116.01 22.7 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.511 -0.313 . . . . 1.96 110.281 177.793 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.711 ' HB3' HD23 ' A' ' 8' ' ' LEU . 70.2 m-85 -120.6 138.99 53.61 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 109.951 -0.389 . . . . 0.54 109.951 175.766 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.454 ' O ' ' HB3' ' A' ' 56' ' ' TYR . 19.0 ptt180 -171.25 172.85 5.12 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.835 0.35 . . . . 3.17 110.902 -175.685 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 19.0 m120 -65.31 161.96 18.48 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 108.398 -0.964 . . . . 1.85 108.398 168.071 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.576 ' HA ' ' HB2' ' A' ' 57' ' ' ASP . . . -53.4 129.62 32.65 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-O 121.71 0.767 . . . . 0.87 111.476 -175.122 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.404 ' H ' ' HB2' ' A' ' 57' ' ' ASP . . . -68.43 -40.43 81.2 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 114.473 -1.24 . . . . 1.48 112.131 -169.594 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 17.1 t -81.71 16.78 1.66 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.005 0.431 . . . . 2.37 110.955 179.301 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 73.05 22.43 79.07 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.945 -0.645 . . . . 1.91 113.036 177.287 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.441 ' O ' ' HB3' ' A' ' 48' ' ' ALA . 13.9 tppt? -71.26 122.37 86.88 Favored Pre-proline 0 N--CA 1.443 -0.781 0 N-CA-C 109.756 -0.461 . . . . 3.17 109.756 176.237 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.587 ' O ' ' HB3' ' A' ' 54' ' ' ASP . 74.0 Cg_endo -72.67 142.95 36.82 Favored 'Trans proline' 0 C--O 1.237 0.458 0 C-N-CA 122.031 1.821 . . . . 1.84 112.08 -179.244 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.587 ' HB3' ' O ' ' A' ' 53' ' ' PRO . 9.9 t70 86.55 -56.34 0.06 Allowed 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 124.049 0.94 . . . . 2.44 109.781 176.866 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.466 ' HD3' ' HB3' ' A' ' 71' ' ' ASP . 58.7 mtt180 -67.52 155.83 38.13 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-O 121.847 0.832 . . . . 4.1 112.885 177.088 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.454 ' HB3' ' O ' ' A' ' 46' ' ' ARG . 30.9 m-85 -120.1 176.08 5.61 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 114.736 -1.12 . . . . 0.97 109.057 179.777 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.576 ' HB2' ' HA ' ' A' ' 48' ' ' ALA . 13.7 t70 -133.02 145.06 50.5 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 110.085 -0.339 . . . . 1.1 110.085 -177.159 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.559 ' HA ' ' O ' ' A' ' 44' ' ' LYS . 1.6 tmt? -147.24 139.84 24.82 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.554 -0.294 . . . . 0.98 110.401 -175.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.466 ' HG2' ' HA ' ' A' ' 68' ' ' HIS . 32.7 mt-10 -135.76 157.4 46.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.332 0.586 . . . . 1.11 112.456 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.442 ' HB2' ' OG1' ' A' ' 67' ' ' THR . 36.7 m-80 -131.09 108.92 10.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 114.84 -1.073 . . . . 1.17 109.64 175.073 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 75.2 mt -103.02 127.78 50.13 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.573 -0.285 . . . . 1.67 110.323 177.365 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.654 ' HA ' ' O ' ' A' ' 40' ' ' GLY . 58.8 p -133.31 -169.27 2.24 Favored 'General case' 0 N--CA 1.445 -0.689 0 N-CA-C 109.624 -0.51 . . . . 0.45 109.624 -179.101 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 71.7 p -90.79 -19.98 22.87 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-O 121.054 0.454 . . . . 0.54 111.303 -179.086 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.505 ' HG3' ' CG1' ' A' ' 35' ' ' VAL . 32.8 mmmt -115.32 -20.57 10.27 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.251 -0.431 . . . . 2.24 111.402 -175.56 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.493 ' HB3' ' H ' ' A' ' 66' ' ' ASP . 29.7 mmmt -131.3 -156.21 0.74 Allowed 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.149 0.499 . . . . 1.82 111.266 -174.882 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.493 ' H ' ' HB3' ' A' ' 65' ' ' LYS . 5.0 p-10 162.04 120.47 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 114.249 -1.341 . . . . 2.12 107.767 -173.046 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.442 ' OG1' ' HB2' ' A' ' 60' ' ' ASN . 69.9 p -137.23 145.43 43.6 Favored 'General case' 0 C--N 1.313 -1.02 0 CA-C-N 115.901 -0.59 . . . . 0.56 109.815 -174.857 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.466 ' HA ' ' HG2' ' A' ' 59' ' ' GLU . 4.7 t-160 -132.55 93.46 3.24 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.927 0.394 . . . . 1.95 110.062 -177.722 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 8.0 m-70 -73.78 84.03 1.65 Allowed 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.928 -0.767 . . . . 0.39 108.928 175.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.409 ' HA ' ' OD2' ' A' ' 57' ' ' ASP . 15.2 ptpt -84.45 121.71 27.95 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 112.472 0.545 . . . . 2.3 112.472 -174.337 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.466 ' HB3' ' HD3' ' A' ' 55' ' ' ARG . 53.2 m-20 66.02 79.65 0.24 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 114.848 -1.069 . . . . 2.07 111.862 170.096 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' TRP . . . . . 0.484 ' HB3' ' CE1' ' A' ' 78' ' ' PHE . 43.7 p-90 -120.96 140.71 51.5 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.352 -0.386 . . . . 0.43 110.92 174.634 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.454 ' O ' ' HB3' ' A' ' 76' ' ' GLU . . . -106.98 153.61 22.31 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.113 -0.699 . . . . 0.55 109.113 172.151 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.444 HD11 ' HB2' ' A' ' 3' ' ' LEU . 4.6 mp -56.36 136.36 53.58 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.348 0.595 . . . . 1.71 111.594 173.545 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 72.56 15.07 77.52 Favored Glycine 0 N--CA 1.447 -0.592 0 CA-C-N 114.823 -1.081 . . . . 0.59 112.493 -177.292 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.454 ' HB3' ' O ' ' A' ' 73' ' ' ALA . 35.2 tt0 -107.77 127.32 53.6 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.471 0.653 . . . . 2.37 111.428 -177.72 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -97.49 122.43 40.55 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 114.802 -1.09 . . . . 1.4 109.49 174.162 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.484 ' CE1' ' HB3' ' A' ' 72' ' ' TRP . 37.2 p90 -132.48 158.81 41.12 Favored 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 109.475 -0.565 . . . . 0.57 109.475 -179.433 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 32.9 tt0 -90.53 140.63 29.55 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 109.4 -0.592 . . . . 1.95 109.4 177.458 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.582 ' HB3' HD12 ' A' ' 90' ' ' ILE . 5.5 t70 -168.58 164.78 12.41 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.708 -0.478 . . . . 1.26 109.708 -175.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.53 ' HA ' ' HA ' ' A' ' 87' ' ' GLN . 35.2 tt0 -97.14 118.17 32.97 Favored 'General case' 0 CA--C 1.514 -0.437 0 N-CA-C 109.52 -0.548 . . . . 2.13 109.52 178.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.466 ' HB3' ' OD1' ' A' ' 84' ' ' ASP . . . -94.82 -179.32 4.81 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-N 115.193 -0.912 . . . . 0.95 111.883 -178.143 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -55.28 -26.85 42.7 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 111.704 0.261 . . . . 1.34 111.704 -177.106 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.466 ' OD1' ' HB3' ' A' ' 82' ' ' ALA . 17.0 p-10 -78.37 17.23 0.67 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.098 0.475 . . . . 1.55 111.987 -175.278 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.7 t 62.83 27.61 16.1 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.435 -0.802 . . . . 1.21 112.024 166.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 9.7 p -140.97 162.13 36.21 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 109.113 -0.699 . . . . 0.93 109.113 173.693 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.53 ' HA ' ' HA ' ' A' ' 81' ' ' GLU . 2.5 pt20 -110.58 128.52 55.69 Favored 'General case' 0 CA--C 1.504 -0.823 0 CA-C-O 121.558 0.694 . . . . 1.88 109.592 178.555 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . 0.851 ' HA ' HG23 ' A' ' 107' ' ' VAL . 2.5 p80 -152.85 179.48 8.62 Favored 'General case' 0 C--N 1.308 -1.219 0 CA-C-N 114.915 -1.039 . . . . 1.04 109.927 -172.674 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.53 136.75 47.65 Favored 'General case' 0 C--O 1.236 0.382 0 C-N-CA 120.501 -0.48 . . . . 1.49 109.997 -177.173 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.582 HD12 ' HB3' ' A' ' 80' ' ' ASP . 50.4 mt -134.11 126.76 50.36 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.928 0 CA-C-N 115.415 -0.811 . . . . 0.54 110.24 -178.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 18.6 m -112.92 128.08 56.38 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-N 116.141 -0.481 . . . . 0.43 110.697 178.66 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -103.79 122.83 45.92 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 108.504 -0.925 . . . . 0.6 108.504 172.397 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 20.6 t0 -156.62 156.02 32.81 Favored 'General case' 0 C--N 1.316 -0.887 0 N-CA-C 108.977 -0.749 . . . . 1.69 108.977 -172.125 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 2.4 mp -100.85 134.94 43.07 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-O 121.256 0.551 . . . . 1.12 110.822 -178.635 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 53.4 tttp -94.4 -54.28 3.59 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.314 -0.857 . . . . 3.03 108.77 -178.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.443 ' C ' ' H ' ' A' ' 98' ' ' ASN . 7.4 m-20 -121.85 167.98 12.47 Favored Pre-proline 0 C--N 1.323 -0.578 0 N-CA-C 108.345 -0.983 . . . . 1.79 108.345 174.431 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 15.3 Cg_exo -70.97 14.65 0.33 Allowed 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.925 2.417 . . . . 0.98 112.175 179.059 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . 0.443 ' H ' ' C ' ' A' ' 96' ' ' ASP . 30.8 p30 -147.61 14.47 1.08 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.561 -0.745 . . . . 2.32 110.18 176.886 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.408 ' HA ' ' HA ' ' A' ' 119' ' ' ARG . 57.1 m -141.08 111.53 6.87 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-O 121.104 0.478 . . . . 0.56 112.123 -176.133 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.551 ' HB3' ' HB2' ' A' ' 118' ' ' TYR . 0.6 OUTLIER -82.84 155.98 23.87 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.862 -1.162 . . . . 1.1 107.862 171.664 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.588 HG22 ' HG2' ' A' ' 117' ' ' GLU . 15.0 p -134.59 135.27 42.11 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 118.672 0.669 . . . . 0.41 111.036 173.435 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.407 ' O ' ' HA ' ' A' ' 115' ' ' THR . 64.0 tt0 -115.4 106.12 13.62 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.566 -0.743 . . . . 1.31 109.463 177.041 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . 0.405 ' O ' ' HA ' ' A' ' 90' ' ' ILE . 52.2 m -104.89 119.64 39.5 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 109.973 -0.38 . . . . 0.51 109.973 -178.536 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' HIS . . . . . 0.636 ' HB2' ' CE1' ' A' ' 88' ' ' HIS . 29.2 p80 -120.78 117.94 28.73 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.454 -0.498 . . . . 1.69 111.348 179.634 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.726 ' O ' ' HB2' ' A' ' 88' ' ' HIS . 53.6 mt -119.5 132.12 70.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.449 -0.796 . . . . 0.75 110.62 -177.227 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.512 ' HG3' ' HB3' ' A' ' 112' ' ' ASP . 39.4 mmtm -55.93 119.87 6.52 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 115.702 -0.681 . . . . 1.61 112.748 -179.664 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.851 HG23 ' HA ' ' A' ' 88' ' ' HIS . 82.7 t -63.86 -39.43 85.41 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.554 0 CA-C-N 115.464 -0.789 . . . . 1.32 110.704 172.244 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -62.62 -36.94 84.4 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.039 -0.982 . . . . 2.5 110.751 -177.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . 0.42 ' O ' ' HB2' ' A' ' 106' ' ' LYS . 29.6 t70 -169.99 101.23 0.45 Allowed Pre-proline 0 C--N 1.323 -0.58 0 CA-C-N 115.533 -0.758 . . . . 2.39 108.996 -176.719 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -71.47 24.8 0.23 Allowed 'Trans proline' 0 C--O 1.233 0.241 0 C-N-CA 123.928 3.085 . . . . 0.9 114.443 -169.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 81.2 p -78.41 -28.85 46.94 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 109.603 -0.517 . . . . 1.47 109.603 174.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . 0.512 ' HB3' ' HG3' ' A' ' 106' ' ' LYS . 35.8 t70 -91.99 109.51 20.85 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 116.053 -0.521 . . . . 1.59 110.047 175.432 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -131.35 125.97 57.76 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.113 0 CA-C-N 115.468 -0.787 . . . . 1.6 109.093 -178.508 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.575 ' HB3' ' CE1' ' A' ' 104' ' ' HIS . 37.1 tt0 -138.15 140.26 39.78 Favored 'General case' 0 C--N 1.316 -0.861 0 C-N-CA 120.71 -0.396 . . . . 2.78 110.68 -178.275 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . 0.407 ' HA ' ' O ' ' A' ' 102' ' ' GLU . 47.8 m -133.17 133.11 42.39 Favored 'General case' 0 N--CA 1.445 -0.681 0 CA-C-N 115.763 -0.653 . . . . 0.53 110.956 -174.873 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -106.36 158.41 16.9 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 107.241 -1.392 . . . . 0.96 107.241 171.674 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . 0.588 ' HG2' HG22 ' A' ' 101' ' ' THR . 31.0 mt-10 -129.97 111.29 12.39 Favored 'General case' 0 N--CA 1.443 -0.822 0 N-CA-C 107.695 -1.224 . . . . 1.27 107.695 -179.301 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . 0.551 ' HB2' ' HB3' ' A' ' 100' ' ' LEU . 95.9 m-85 -87.86 86.32 7.14 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.035 0.445 . . . . 0.6 110.056 -177.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . 0.408 ' HA ' ' HA ' ' A' ' 99' ' ' THR . 19.3 ttt85 -93.93 153.25 18.32 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.723 -0.671 . . . . 3.41 109.91 -179.833 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . 0.548 ' NH2' ' HA ' ' A' ' 123' ' ' ASP . 12.4 mmm180 -109.91 121.61 45.63 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-O 120.924 0.392 . . . . 1.96 111.581 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -122.15 100.77 7.14 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.819 -0.628 . . . . 1.08 109.766 176.065 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 69.54 -111.6 3.97 Favored Glycine 0 N--CA 1.443 -0.872 0 C-N-CA 120.686 -0.769 . . . . 0.92 111.269 -176.413 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . 0.548 ' HA ' ' NH2' ' A' ' 120' ' ' ARG . 38.0 t70 -112.74 4.2 16.94 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.301 0.572 . . . . 2.31 110.267 176.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 74.8 m-85 -100.16 140.74 33.97 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.107 -0.497 . . . . 0.67 110.735 -178.4 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.5 HD21 ' HB3' ' A' ' 118' ' ' TYR . 0.3 OUTLIER -87.22 123.36 32.15 Favored 'General case' 0 N--CA 1.445 -0.68 0 N-CA-C 107.671 -1.233 . . . . 1.03 107.671 173.004 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 77.4 t -111.8 113.15 43.37 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.052 0 CA-C-O 121.075 0.464 . . . . 0.47 109.912 -176.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 127' ' ' MET . . . . . 0.504 ' HE3' ' HE3' ' A' ' 43' ' ' LYS . 27.6 ttm -90.55 141.07 29.14 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-N 115.63 -0.714 . . . . 1.08 109.95 177.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 33.0 ttmt -134.25 136.28 43.5 Favored 'General case' 0 C--N 1.315 -0.896 0 N-CA-C 109.575 -0.528 . . . . 2.2 109.575 174.507 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 2.5 ptm -146.74 135.77 22.48 Favored 'General case' 0 C--N 1.313 -1.004 0 N-CA-C 108.766 -0.827 . . . . 1.11 108.766 -179.292 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . 0.492 ' HA ' ' O ' ' A' ' 134' ' ' VAL . 6.2 p -131.4 136.93 48.43 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.977 0.418 . . . . 1.06 111.944 -172.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 131' ' ' TRP . . . . . 0.582 ' CD1' ' HG2' ' A' ' 132' ' ' LYS . 47.3 t-105 -151.07 131.66 13.91 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.77 -0.65 . . . . 0.76 110.116 176.079 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . 0.582 ' HG2' ' CD1' ' A' ' 131' ' ' TRP . 74.9 mmtt 53.29 37.37 25.11 Favored 'General case' 0 C--N 1.328 -0.355 0 O-C-N 123.746 0.654 . . . . 1.96 111.321 -178.248 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 85.72 -12.52 59.15 Favored Glycine 0 CA--C 1.519 0.34 0 C-N-CA 121.057 -0.592 . . . . 0.53 113.247 179.379 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . 0.492 ' O ' ' HA ' ' A' ' 130' ' ' SER . 4.8 t -83.93 105.51 13.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 117.03 0.415 . . . . 0.43 110.245 -178.55 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -101.22 128.4 47.36 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 116.108 -0.497 . . . . 1.14 110.745 176.183 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 3.1 t -123.44 136.37 54.57 Favored 'General case' 0 C--N 1.311 -1.081 0 CA-C-N 115.721 -0.672 . . . . 0.4 110.52 179.318 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 137' ' ' SER . . . . . 0.45 ' HA ' ' O ' ' A' ' 127' ' ' MET . 16.6 m -108.1 111.03 22.86 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-N 116.064 -0.517 . . . . 0.79 109.715 175.321 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 138' ' ' ARG . . . . . 0.551 HH12 HG21 ' A' ' 41' ' ' VAL . 7.7 ttt180 -96.87 120.61 37.53 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 109.077 -0.712 . . . . 1.84 109.077 179.385 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 91.3 m-85 -93.51 111.02 22.6 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.166 0.508 . . . . 0.64 111.063 -172.055 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 140' ' ' TYR . . . . . 0.444 ' HB2' ' HB3' ' A' ' 125' ' ' LEU . 93.6 m-85 -103.78 121.77 43.72 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.519 -0.764 . . . . 0.6 110.384 178.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 141' ' ' LYS . . . . . 0.6 ' HD2' ' O ' ' A' ' 142' ' ' LYS . 5.0 tmmm? -101.76 152.99 20.21 Favored 'General case' 0 N--CA 1.436 -1.166 0 N-CA-C 107.423 -1.325 . . . . 1.92 107.423 179.424 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 142' ' ' LYS . . . . . 0.6 ' O ' ' HD2' ' A' ' 141' ' ' LYS . 80.9 tttt -50.89 166.23 0.09 Allowed 'General case' 0 CA--C 1.547 0.83 0 CA-C-O 121.719 0.771 . . . . 2.13 112.253 179.671 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . 0.713 ' NE2' ' HB3' ' A' ' 12' ' ' LYS . 53.5 mm-40 . . . . . 0 C--O 1.247 0.966 0 O-C-N 121.099 -1.001 . . . . 1.46 110.59 163.007 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.6 m . . . . . 0 C--O 1.235 0.327 0 N-CA-C 109.654 -0.498 . . . . 0.99 109.654 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.559 HD21 HD12 ' A' ' 100' ' ' LEU . 0.4 OUTLIER -57.17 118.81 26.7 Favored Pre-proline 0 C--O 1.233 0.216 0 O-C-N 123.36 0.413 . . . . 0.59 111.808 -170.179 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . 0.528 ' HD2' HD23 ' A' ' 3' ' ' LEU . 27.8 Cg_exo -59.82 131.06 37.73 Favored 'Trans proline' 0 N--CA 1.461 -0.432 0 C-N-CA 122.743 2.295 . . . . 0.61 111.012 172.221 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . 0.523 ' HA ' HD12 ' A' ' 8' ' ' LEU . 7.9 p-10 -56.57 -22.04 30.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.063 -0.517 . . . . 2.19 111.72 -179.297 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 34.9 ttmt -59.02 -22.46 60.71 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 116.091 -0.504 . . . . 2.53 111.993 176.218 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -99.32 2.86 45.8 Favored 'General case' 0 C--N 1.331 -0.198 0 O-C-N 122.086 -0.384 . . . . 0.6 111.495 -179.701 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.523 HD12 ' HA ' ' A' ' 5' ' ' ASP . 97.3 mt -97.56 151.72 19.76 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.451 0.643 . . . . 0.46 111.648 -173.332 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.417 ' HA3' ' HE3' ' A' ' 142' ' ' LYS . . . 121.04 173.66 14.76 Favored Glycine 0 N--CA 1.442 -0.94 0 CA-C-N 114.972 -1.013 . . . . 0.52 111.681 -178.826 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 12.2 m -99.16 125.72 44.78 Favored 'General case' 0 N--CA 1.444 -0.745 0 N-CA-C 109.528 -0.545 . . . . 1.05 109.528 176.504 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 61.5 m-85 -118.36 129.63 55.54 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.311 -0.404 . . . . 0.47 111.016 -177.045 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.65 ' HB3' ' NE2' ' A' ' 143' ' ' GLN . 21.6 ptmt -97.72 134.72 40.52 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 120.088 -0.645 . . . . 2.19 110.685 172.018 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.447 ' HA ' ' HA ' ' A' ' 140' ' ' TYR . 6.5 tt -55.64 120.61 7.52 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 116.247 -0.433 . . . . 1.14 110.474 178.217 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -90.49 -53.08 4.59 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.958 -0.564 . . . . 2.08 110.369 -178.325 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 23.3 ptt-85 -143.3 159.84 41.6 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.951 0.405 . . . . 3.36 110.107 179.108 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -132.87 137.29 46.64 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 115.693 -0.685 . . . . 1.19 110.103 -172.531 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -140.31 124.56 17.71 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 111.899 0.333 . . . . 2.66 111.899 -173.215 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.4 t30 67.41 20.04 9.97 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 123.501 0.721 . . . . 0.76 111.796 172.452 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.4 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 19.5 t80 -75.6 -38.54 58.99 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.643 -0.708 . . . . 0.49 110.835 -176.065 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.43 ' O ' ' HG3' ' A' ' 24' ' ' LYS . 10.5 p-10 -64.28 -42.13 96.57 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 110.259 -0.275 . . . . 2.04 110.259 178.079 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 35.9 mm-40 -52.28 -45.14 65.35 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-O 120.914 0.388 . . . . 1.79 110.601 173.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 60.4 t80 -59.46 -42.23 91.52 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.552 -0.749 . . . . 0.57 111.06 176.198 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.4 ' HG ' ' O ' ' A' ' 19' ' ' PHE . 82.8 mt -64.29 -40.1 95.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.943 0.402 . . . . 0.37 110.889 -175.83 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.444 ' HG2' ' NH1' ' A' ' 33' ' ' ARG . 89.3 mttt -62.46 -50.9 69.6 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.795 -0.639 . . . . 1.88 109.819 178.242 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.417 ' HB1' ' HB2' ' A' ' 132' ' ' LYS . . . -60.45 -37.03 79.65 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 114.938 -1.028 . . . . 0.44 111.343 178.114 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.533 ' HA ' ' CD1' ' A' ' 131' ' ' TRP . 7.8 tpt180 -73.23 -8.87 57.7 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.04 -0.527 . . . . 1.29 111.452 -177.343 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 97.04 25.84 10.9 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.305 -0.95 . . . . 0.62 113.466 174.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 82.4 m-85 -96.75 112.59 24.28 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.161 -0.681 . . . . 0.64 109.161 173.363 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -71.25 -59.07 5.17 Favored Glycine 0 N--CA 1.449 -0.452 0 CA-C-N 115.141 -0.936 . . . . 1.54 113.764 -170.776 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 67.0 t90 -155.07 -56.41 0.1 Allowed 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 117.322 0.561 . . . . 1.18 112.092 -178.727 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.83 ' H ' HD12 ' A' ' 31' ' ' ILE . 3.8 mp -55.4 -50.2 67.36 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.642 0 CA-C-O 121.559 0.695 . . . . 2.16 109.871 -173.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.51 ' HA ' ' CG2' ' A' ' 35' ' ' VAL . 69.5 mmm -64.23 -31.47 72.68 Favored 'General case' 0 N--CA 1.433 -1.289 0 CA-C-N 114.959 -1.019 . . . . 0.97 111.287 -177.374 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.444 ' NH1' ' HG2' ' A' ' 24' ' ' LYS . 14.2 mtm180 -69.72 -22.19 63.41 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 120.473 -0.491 . . . . 1.87 110.19 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.54 ' O ' HD23 ' A' ' 38' ' ' LEU . 25.7 mm-40 -81.08 -30.4 34.73 Favored 'General case' 0 N--CA 1.455 -0.186 0 CA-C-N 116.215 -0.448 . . . . 1.97 110.926 178.008 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.51 ' CG2' ' HA ' ' A' ' 32' ' ' MET . 4.3 m -88.22 -55.01 6.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 N-CA-C 111.7 0.259 . . . . 0.68 111.7 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.501 HG13 ' O ' ' A' ' 32' ' ' MET . 66.1 mt -48.0 -46.93 12.83 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.398 0 N-CA-C 113.044 0.757 . . . . 0.51 113.044 -179.448 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 48.4 mtmt -74.53 -22.95 58.76 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 112.288 0.477 . . . . 0.97 112.288 -174.796 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.54 HD23 ' O ' ' A' ' 34' ' ' GLN . 4.5 mm? -90.63 -6.71 54.25 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.069 0.461 . . . . 2.08 110.919 -176.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.712 ' HA ' ' OG1' ' A' ' 63' ' ' THR . . . -83.2 109.96 17.65 Favored 'General case' 0 N--CA 1.442 -0.859 0 CA-C-N 115.842 -0.617 . . . . 1.03 110.659 176.406 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.68 ' O ' ' HA ' ' A' ' 62' ' ' THR . . . -65.78 139.58 39.09 Favored Glycine 0 N--CA 1.447 -0.603 0 N-CA-C 110.633 -0.987 . . . . 0.84 110.633 175.021 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 22.0 t -117.33 123.17 71.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-O 121.166 0.508 . . . . 1.3 111.738 -172.514 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 58.0 m -116.21 117.13 29.17 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.63 -0.714 . . . . 0.45 109.666 174.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.582 ' HE3' ' ND2' ' A' ' 60' ' ' ASN . 40.1 mmtm -99.3 130.66 45.6 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.336 -0.393 . . . . 0.79 110.016 -179.004 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.515 ' O ' ' HG2' ' A' ' 58' ' ' MET . 36.6 ttmt -130.34 127.93 40.44 Favored 'General case' 0 C--N 1.32 -0.679 0 C-N-CA 121.015 -0.274 . . . . 1.96 111.133 -176.677 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 77.2 m-85 -122.85 132.69 54.31 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.361 -0.607 . . . . 0.54 109.361 176.314 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 12.8 ptm180 -162.9 171.83 16.02 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.108 0.48 . . . . 3.17 111.558 -178.694 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 -67.87 146.36 53.73 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.116 -0.947 . . . . 1.85 108.913 173.011 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -52.71 141.52 20.82 Favored 'General case' 0 CA--C 1.512 -0.489 0 CA-C-O 121.618 0.723 . . . . 0.87 111.069 -179.238 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.88 -31.95 69.05 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 114.13 -1.395 . . . . 1.48 112.781 -168.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.642 ' OG ' ' HE2' ' A' ' 52' ' ' LYS . 2.5 p -78.87 15.23 1.12 Allowed 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.353 0.501 . . . . 2.37 112.353 178.727 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 65.09 43.46 95.62 Favored Glycine 0 C--N 1.331 0.252 0 C-N-CA 121.127 -0.559 . . . . 1.91 113.112 177.297 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.642 ' HE2' ' OG ' ' A' ' 50' ' ' SER . 51.7 mtmt -111.7 131.11 22.53 Favored Pre-proline 0 C--N 1.322 -0.606 0 CA-C-O 120.515 0.198 . . . . 3.17 110.725 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -76.72 161.17 33.96 Favored 'Trans proline' 0 N--CA 1.462 -0.355 0 C-N-CA 122.759 2.306 . . . . 1.84 111.781 177.255 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 65.71 5.9 3.59 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-O 121.563 0.697 . . . . 2.44 110.52 175.425 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.412 ' HD3' ' HA ' ' A' ' 55' ' ' ARG . 22.2 mmt180 -137.23 123.22 20.23 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 114.84 -1.073 . . . . 4.1 108.334 175.395 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.424 ' CZ ' ' HB2' ' A' ' 3' ' ' LEU . 97.3 m-85 -116.43 165.32 13.36 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-O 121.298 0.57 . . . . 0.97 111.966 -172.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -123.04 130.92 53.42 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.022 -0.99 . . . . 1.1 108.45 177.354 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.55 ' SD ' ' HD2' ' A' ' 69' ' ' HIS . 1.5 tmt? -140.19 138.11 34.89 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 109.92 -0.4 . . . . 0.98 109.92 -174.573 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -133.34 145.84 50.76 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.182 0.515 . . . . 1.11 111.987 -176.247 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.582 ' ND2' ' HE3' ' A' ' 43' ' ' LYS . 0.6 OUTLIER -118.32 73.75 0.92 Allowed 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 108.527 -0.916 . . . . 1.17 108.527 176.702 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -72.8 129.61 38.57 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.484 -0.325 . . . . 1.67 110.347 -176.134 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.68 ' HA ' ' O ' ' A' ' 40' ' ' GLY . 55.6 p -137.14 -177.16 4.64 Favored 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 109.795 -0.446 . . . . 0.45 109.795 179.268 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.712 ' OG1' ' HA ' ' A' ' 39' ' ' ALA . 27.7 p -95.29 -16.8 22.17 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.967 0.413 . . . . 0.54 110.849 179.289 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 25.4 tptp -106.26 -20.1 13.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.045 -0.525 . . . . 2.24 110.507 -176.514 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.69 ' HG3' ' H ' ' A' ' 66' ' ' ASP . 32.4 tptt -143.59 -145.39 0.17 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.832 0.349 . . . . 1.82 110.357 -178.012 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.69 ' H ' ' HG3' ' A' ' 65' ' ' LYS . 17.5 t70 160.3 119.29 0.0 OUTLIER 'General case' 0 C--N 1.316 -0.858 0 C-N-CA 124.469 1.108 . . . . 2.12 109.459 -168.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.504 HG22 ' O ' ' A' ' 81' ' ' GLU . 45.2 p -122.46 160.5 25.39 Favored 'General case' 0 C--N 1.312 -1.06 0 CA-C-N 116.008 -0.542 . . . . 0.56 109.971 175.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 3.8 t-160 -143.76 88.15 1.97 Allowed 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.212 0.53 . . . . 1.95 110.266 178.072 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.55 ' HD2' ' SD ' ' A' ' 58' ' ' MET . 13.3 m-70 -76.85 85.1 3.43 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.145 -0.687 . . . . 0.39 109.145 178.212 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.27 131.7 37.28 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 112.436 0.532 . . . . 2.3 112.436 -176.202 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 63.87 48.97 2.98 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.154 -0.93 . . . . 2.07 112.157 168.371 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' TRP . . . . . 0.454 ' HE1' ' CB ' ' A' ' 58' ' ' MET . 69.3 p-90 -104.45 159.25 15.88 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.003 0.43 . . . . 0.43 110.48 179.151 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.628 ' O ' ' HB3' ' A' ' 76' ' ' GLU . . . -134.24 156.55 48.19 Favored 'General case' 0 C--N 1.317 -0.833 0 N-CA-C 109.329 -0.619 . . . . 0.55 109.329 171.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.644 HD13 ' H ' ' A' ' 74' ' ' LEU . 0.0 OUTLIER -66.9 142.94 57.12 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-O 121.735 0.779 . . . . 1.71 110.237 173.058 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 78.35 3.66 86.11 Favored Glycine 0 C--N 1.315 -0.628 0 CA-C-N 114.712 -1.131 . . . . 0.59 111.85 -170.519 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.628 ' HB3' ' O ' ' A' ' 73' ' ' ALA . 8.9 tp10 -113.56 156.49 23.52 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-O 120.87 0.367 . . . . 2.37 110.475 -178.283 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.469 ' HA ' ' HA ' ' A' ' 91' ' ' THR . 1.1 pt-20 -135.51 139.58 44.1 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 108.86 -0.792 . . . . 1.4 108.86 -179.191 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 31.6 p90 -143.56 157.77 44.17 Favored 'General case' 0 C--N 1.316 -0.879 0 O-C-N 122.321 -0.237 . . . . 0.57 110.472 179.291 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 32.6 tt0 -88.32 138.35 31.52 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.666 -0.494 . . . . 1.95 109.666 177.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.485 ' O ' ' HA ' ' A' ' 87' ' ' GLN . 50.0 t0 -159.63 164.99 33.65 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.357 -0.383 . . . . 1.26 110.023 -174.564 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.504 ' O ' HG22 ' A' ' 67' ' ' THR . 35.4 tt0 -100.51 103.58 14.92 Favored 'General case' 0 CA--C 1.511 -0.536 0 N-CA-C 108.572 -0.899 . . . . 2.13 108.572 179.37 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.494 ' HB2' HD11 ' A' ' 90' ' ' ILE . . . -82.76 179.13 7.87 Favored 'General case' 0 C--N 1.311 -1.099 0 CA-C-N 114.569 -1.196 . . . . 0.95 112.566 -171.391 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.574 HD22 ' H ' ' A' ' 83' ' ' LEU . 2.9 mm? -54.69 -29.47 53.02 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 121.425 0.631 . . . . 1.34 110.097 178.303 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -68.99 2.81 2.4 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 114.607 -1.179 . . . . 1.55 112.302 -177.016 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 24.2 m 68.18 19.33 9.16 Favored 'General case' 0 C--O 1.232 0.182 0 C-N-CA 122.948 0.499 . . . . 1.21 112.177 173.145 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 15.4 p -129.2 165.44 21.34 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.381 -0.372 . . . . 0.93 110.088 174.418 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.485 ' HA ' ' O ' ' A' ' 80' ' ' ASP . 0.0 OUTLIER -110.89 121.9 46.51 Favored 'General case' 0 CA--C 1.509 -0.604 0 N-CA-C 108.851 -0.796 . . . . 1.88 108.851 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . 0.558 ' CB ' ' HA ' ' A' ' 106' ' ' LYS . 17.6 p80 -152.2 -178.3 6.71 Favored 'General case' 0 C--N 1.31 -1.139 0 CA-C-N 115.576 -0.738 . . . . 1.04 110.045 -174.434 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.435 ' H ' HG13 ' A' ' 107' ' ' VAL . 39.2 ttpt -73.42 141.38 46.94 Favored 'General case' 0 C--N 1.32 -0.7 0 O-C-N 123.535 0.522 . . . . 1.49 109.762 179.652 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.494 HD11 ' HB2' ' A' ' 82' ' ' ALA . 49.0 mt -138.96 118.36 13.89 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.033 0 CA-C-N 115.834 -0.621 . . . . 0.54 109.939 176.535 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.469 ' HA ' ' HA ' ' A' ' 77' ' ' GLU . 11.0 m -108.04 137.96 45.13 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.557 -0.747 . . . . 0.43 110.959 -176.232 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 32.4 m-85 -113.15 143.01 45.1 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 108.921 -0.77 . . . . 0.6 108.921 176.037 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -165.58 153.03 10.59 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 120.63 0.253 . . . . 1.69 110.34 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.404 HD22 ' HG ' ' A' ' 100' ' ' LEU . 1.9 mm? -95.73 114.32 26.04 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.349 0.595 . . . . 1.12 109.481 176.796 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 52.0 tttm -86.26 -47.48 9.38 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.328 -0.851 . . . . 3.03 109.712 -174.119 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -134.37 167.53 22.38 Favored Pre-proline 0 C--N 1.318 -0.774 0 N-CA-C 108.107 -1.071 . . . . 1.79 108.107 176.839 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_exo -65.39 -0.97 4.03 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.73 2.287 . . . . 0.98 112.35 -177.665 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 66.6 t30 -143.21 33.14 1.34 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.844 -0.616 . . . . 2.32 109.796 177.795 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 68.4 m -154.57 111.8 3.38 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-O 121.098 0.475 . . . . 0.56 112.012 179.666 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.559 HD12 HD21 ' A' ' 3' ' ' LEU . 1.3 tt -95.11 133.52 38.84 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.439 -0.948 . . . . 1.1 108.439 174.199 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 10.6 p -109.4 128.73 55.36 Favored 'General case' 0 C--N 1.323 -0.583 0 O-C-N 121.271 -0.893 . . . . 0.41 111.464 179.79 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 48.7 tt0 -112.32 103.24 11.36 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.457 -0.792 . . . . 1.31 109.331 176.283 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . 0.405 ' O ' ' HA ' ' A' ' 90' ' ' ILE . 24.8 m -97.58 112.08 24.09 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.109 0.481 . . . . 0.51 111.059 -173.722 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' HIS . . . . . 0.422 ' HB3' ' CE1' ' A' ' 88' ' ' HIS . 16.1 m170 -92.19 98.03 11.27 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.054 -0.521 . . . . 1.69 110.139 178.102 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.554 ' HA ' HG12 ' A' ' 113' ' ' VAL . 10.5 mt -100.59 109.89 26.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-O 121.322 0.582 . . . . 0.75 111.327 177.321 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.558 ' HA ' ' CB ' ' A' ' 88' ' ' HIS . 96.9 mttt -63.48 114.36 3.85 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 114.998 -1.001 . . . . 1.61 110.839 177.406 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.435 HG13 ' H ' ' A' ' 89' ' ' LYS . 17.3 m -61.51 -22.13 27.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.102 -0.954 . . . . 1.32 111.35 178.484 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . 0.54 ' OD2' ' HB3' ' A' ' 106' ' ' LYS . 10.6 p-10 -81.12 -44.09 18.44 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.935 -0.575 . . . . 2.5 110.427 178.426 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -141.7 93.62 7.6 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.256 0.551 . . . . 2.39 110.577 175.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -73.22 6.53 2.56 Favored 'Trans proline' 0 N--CA 1.464 -0.254 0 C-N-CA 123.467 2.778 . . . . 0.9 112.438 -179.278 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 30.6 p -94.61 -13.99 25.4 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.399 0.619 . . . . 1.47 110.197 173.825 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -110.37 43.67 1.36 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.418 -0.81 . . . . 1.59 109.33 -179.247 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.554 HG12 ' HA ' ' A' ' 105' ' ' ILE . 22.9 m -79.61 179.72 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.564 -0.744 . . . . 1.6 111.874 -178.58 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.44 ' HB2' ' NH1' ' A' ' 26' ' ' ARG . 8.0 tp10 -160.09 154.47 23.7 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.811 -0.631 . . . . 2.78 109.682 175.712 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 23.3 m -136.17 133.08 36.78 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.082 0.468 . . . . 0.53 111.086 -178.49 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 13.6 m-30 -98.92 154.37 18.1 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 107.725 -1.213 . . . . 0.96 107.725 173.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . 0.516 ' HB2' ' HB3' ' A' ' 128' ' ' LYS . 33.7 mt-10 -131.88 113.54 13.58 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.245 -1.02 . . . . 1.27 108.245 175.276 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 83.7 m-85 -89.84 103.32 15.98 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-O 121.226 0.536 . . . . 0.6 110.384 -178.635 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 12.4 ttp180 -111.74 142.77 43.66 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.277 -0.874 . . . . 3.41 109.27 178.744 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 8.6 tpt180 -96.2 135.46 37.98 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 109.618 -0.512 . . . . 1.96 109.618 -179.642 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -131.35 86.19 2.33 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.395 0.616 . . . . 1.08 109.876 175.798 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 70.02 -112.18 4.24 Favored Glycine 0 N--CA 1.443 -0.873 0 CA-C-N 115.327 -0.852 . . . . 0.92 112.284 179.35 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -96.29 3.45 53.01 Favored 'General case' 0 C--N 1.323 -0.586 0 O-C-N 122.791 -0.241 . . . . 2.31 110.976 -177.404 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 94.9 m-85 -119.82 144.68 47.21 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.158 0.504 . . . . 0.67 111.568 -178.493 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -96.94 125.91 41.7 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 107.152 -1.425 . . . . 1.03 107.152 172.332 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 59.4 t -116.69 127.18 74.37 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.831 0 CA-C-O 121.259 0.552 . . . . 0.47 110.658 -170.567 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 127' ' ' MET . . . . . 0.477 ' HB3' ' HB2' ' A' ' 138' ' ' ARG . 20.0 ttm -97.97 143.29 28.69 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 115.464 -0.789 . . . . 1.08 110.351 177.391 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . 0.516 ' HB3' ' HB2' ' A' ' 117' ' ' GLU . 5.4 tppp? -119.15 126.61 52.0 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 109.33 -0.618 . . . . 2.2 109.33 174.498 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 129' ' ' MET . . . . . 0.497 ' HB2' ' CG2' ' A' ' 136' ' ' THR . 59.9 mtp -128.44 135.59 49.69 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 107.816 -1.179 . . . . 1.11 107.816 174.018 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 3.4 p -146.43 122.58 10.82 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 121.231 0.539 . . . . 1.06 111.954 -177.017 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 131' ' ' TRP . . . . . 0.649 ' CD1' ' HG2' ' A' ' 132' ' ' LYS . 64.2 t-105 -139.82 132.72 29.28 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.092 -0.958 . . . . 0.76 109.45 179.33 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . 0.649 ' HG2' ' CD1' ' A' ' 131' ' ' TRP . 75.5 mmtt 57.38 34.37 24.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.697 -0.683 . . . . 1.96 110.882 -177.424 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 75.99 5.61 80.6 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.873 -0.68 . . . . 0.53 113.539 179.679 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 51.4 t -101.97 107.3 21.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 N-CA-C 110.043 -0.355 . . . . 0.43 110.043 177.527 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 135' ' ' SER . . . . . 0.4 ' HA ' ' O ' ' A' ' 129' ' ' MET . 8.2 m -95.61 153.19 17.84 Favored 'General case' 0 N--CA 1.436 -1.158 0 CA-C-O 121.28 0.562 . . . . 1.14 111.194 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 136' ' ' THR . . . . . 0.497 ' CG2' ' HB2' ' A' ' 129' ' ' MET . 2.9 t -137.12 136.62 38.46 Favored 'General case' 0 C--N 1.313 -1.015 0 CA-C-N 115.286 -0.87 . . . . 0.4 109.833 174.537 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 38.3 m -107.86 114.8 29.01 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.179 0.514 . . . . 0.79 109.877 177.628 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 138' ' ' ARG . . . . . 0.534 HH11 ' HG3' ' A' ' 138' ' ' ARG . 7.9 mmm-85 -98.46 113.4 25.38 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 108.846 -0.798 . . . . 1.84 108.846 -179.274 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 94.9 m-85 -94.01 112.58 24.43 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.111 0.482 . . . . 0.64 111.078 -174.801 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 140' ' ' TYR . . . . . 0.447 ' HA ' ' HA ' ' A' ' 13' ' ' LEU . 74.1 m-85 -105.5 130.76 53.5 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.505 -0.77 . . . . 0.6 109.789 178.044 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 141' ' ' LYS . . . . . 0.447 ' HG3' ' O ' ' A' ' 142' ' ' LYS . 10.5 ptmt -98.18 164.52 12.29 Favored 'General case' 0 C--N 1.313 -0.994 0 N-CA-C 107.181 -1.414 . . . . 1.92 107.181 171.81 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 142' ' ' LYS . . . . . 0.447 ' O ' ' HG3' ' A' ' 141' ' ' LYS . 21.5 tptm -54.11 171.9 0.1 Allowed 'General case' 0 C--N 1.314 -0.956 0 CA-C-O 121.452 0.644 . . . . 2.13 111.207 172.884 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . 0.65 ' NE2' ' HB3' ' A' ' 12' ' ' LYS . 60.7 mm-40 . . . . . 0 C--O 1.248 0.98 0 O-C-N 121.252 -0.905 . . . . 1.46 109.807 158.58 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.9 m . . . . . 0 N--CA 1.451 -0.388 0 CA-C-O 120.803 0.335 . . . . 0.99 110.263 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.545 HD23 ' HD2' ' A' ' 4' ' ' PRO . 0.4 OUTLIER -58.73 120.46 45.96 Favored Pre-proline 0 C--N 1.324 -0.508 0 CA-C-N 115.589 -0.732 . . . . 0.59 110.772 -176.746 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . 0.545 ' HD2' HD23 ' A' ' 3' ' ' LEU . 76.8 Cg_exo -51.8 119.92 6.34 Favored 'Trans proline' 0 N--CA 1.461 -0.385 0 C-N-CA 122.774 2.316 . . . . 0.61 111.667 173.51 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . 0.479 ' HA ' HD12 ' A' ' 8' ' ' LEU . 28.8 t70 -51.64 -27.33 11.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.528 -0.76 . . . . 2.19 111.967 -179.356 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.401 ' HB3' ' HG3' ' A' ' 120' ' ' ARG . 44.6 mmtm -56.61 -30.78 63.62 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.045 0.387 . . . . 2.53 112.045 176.832 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -84.49 -8.98 58.76 Favored 'General case' 0 C--O 1.225 -0.212 0 O-C-N 122.08 -0.388 . . . . 0.6 110.792 -177.561 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.479 HD12 ' HA ' ' A' ' 5' ' ' ASP . 91.4 mt -92.89 133.9 35.63 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.112 0.482 . . . . 0.46 111.125 -170.398 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 149.0 175.08 21.14 Favored Glycine 0 N--CA 1.446 -0.675 0 CA-C-N 115.358 -0.837 . . . . 0.52 111.986 -179.342 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 4.6 m -111.47 115.45 29.24 Favored 'General case' 0 N--CA 1.446 -0.657 0 N-CA-C 109.187 -0.671 . . . . 1.05 109.187 177.352 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 61.1 m-85 -115.3 131.2 57.0 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 112.9 0.704 . . . . 0.47 112.9 -169.242 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.472 ' HG2' ' CD ' ' A' ' 143' ' ' GLN . 18.5 mmtp -82.42 128.08 33.91 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 115.878 -0.601 . . . . 2.19 110.893 167.304 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.427 HD12 ' HB ' ' A' ' 41' ' ' VAL . 5.5 tt -55.41 121.79 9.76 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.309 -0.405 . . . . 1.14 110.035 171.466 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.434 ' HB2' ' HG3' ' A' ' 141' ' ' LYS . 7.2 tp10 -93.29 -54.64 3.61 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-O 120.645 0.26 . . . . 2.08 110.764 179.588 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 5.8 ptp180 -159.05 178.84 9.62 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 120.888 0.375 . . . . 3.36 111.495 -175.127 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -145.62 155.01 42.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.708 -0.678 . . . . 1.19 110.073 177.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -95.47 -51.83 4.4 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.584 0.587 . . . . 2.66 112.584 -175.206 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -146.83 52.39 1.1 Allowed 'General case' 0 C--O 1.238 0.463 0 CA-C-O 121.96 0.886 . . . . 0.76 110.517 -176.511 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.72 ' HE1' ' HE2' ' A' ' 129' ' ' MET . 11.0 t80 -77.5 -36.14 52.9 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.244 -0.889 . . . . 0.49 110.974 -172.738 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -57.08 -57.41 12.7 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.531 -0.304 . . . . 2.04 111.486 178.502 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -59.11 -36.67 75.57 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.772 -0.194 . . . . 1.79 111.271 178.479 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.563 ' O ' ' HB2' ' A' ' 26' ' ' ARG . 78.3 t80 -56.24 -41.07 75.14 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.894 0.378 . . . . 0.57 110.262 175.308 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.493 ' HG ' ' O ' ' A' ' 19' ' ' PHE . 96.0 mt -68.0 -38.78 83.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.049 -0.523 . . . . 0.37 110.724 -179.063 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 39.4 mttp -63.47 -52.49 61.13 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-O 121.071 0.462 . . . . 1.88 110.302 178.204 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.06 -37.71 80.69 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.708 -0.678 . . . . 0.44 111.13 178.715 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.563 ' HB2' ' O ' ' A' ' 22' ' ' TYR . 0.3 OUTLIER -65.84 -13.39 59.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.845 -0.616 . . . . 1.29 110.942 -178.552 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 93.7 20.8 30.5 Favored Glycine 0 N--CA 1.447 -0.584 0 C-N-CA 120.628 -0.796 . . . . 0.62 112.717 179.459 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.401 ' CD1' ' HB3' ' A' ' 26' ' ' ARG . 60.5 m-85 -93.21 125.26 37.71 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.995 0.426 . . . . 0.64 110.283 177.099 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -78.41 -178.27 49.54 Favored Glycine 0 N--CA 1.443 -0.853 0 C-N-CA 120.685 -0.769 . . . . 1.54 111.688 -177.844 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.493 ' O ' ' HG2' ' A' ' 34' ' ' GLN . 88.2 t90 -50.64 -49.33 57.18 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 122.536 0.334 . . . . 1.18 111.717 -176.88 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.402 HD13 ' HA ' ' A' ' 31' ' ' ILE . 1.9 mm -56.4 -56.79 11.66 Favored 'Isoleucine or valine' 0 C--O 1.232 0.142 0 N-CA-C 111.881 0.326 . . . . 2.16 111.881 -178.855 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 66.1 mmm -60.84 -37.43 82.04 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.672 0.272 . . . . 0.97 110.924 179.58 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.432 HH11 ' HD3' ' A' ' 33' ' ' ARG . 39.9 ttp-105 -69.4 -20.53 63.81 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.117 -0.492 . . . . 1.87 110.425 -178.483 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.493 ' HG2' ' O ' ' A' ' 30' ' ' TRP . 27.4 mm-40 -83.43 -34.7 25.41 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.194 -0.457 . . . . 1.97 110.455 175.402 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.437 HG13 ' HE3' ' A' ' 64' ' ' LYS . 75.0 t -76.59 -67.49 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-O 121.179 0.514 . . . . 0.68 111.101 -179.555 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 97.0 mt -38.59 -58.75 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 N-CA-C 114.962 1.467 . . . . 0.51 114.962 -176.519 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.41 ' HG2' ' O ' ' A' ' 33' ' ' ARG . 60.4 pttt -84.1 0.03 50.03 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.098 -0.641 . . . . 0.97 112.052 -170.82 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.509 ' C ' HD13 ' A' ' 38' ' ' LEU . 1.1 tm? -93.43 -37.13 12.13 Favored 'General case' 0 N--CA 1.442 -0.836 0 N-CA-C 109.149 -0.685 . . . . 2.08 109.149 178.31 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -59.55 124.89 21.52 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 115.481 -0.781 . . . . 1.03 111.472 -179.57 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.496 ' O ' ' HA ' ' A' ' 62' ' ' THR . . . -68.96 139.52 32.88 Favored Glycine 0 N--CA 1.446 -0.643 0 N-CA-C 110.847 -0.901 . . . . 0.84 110.847 174.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.427 ' HB ' HD12 ' A' ' 13' ' ' LEU . 54.5 t -122.85 127.31 74.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-O 121.28 0.562 . . . . 1.3 111.427 -174.329 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.444 HG23 HE21 ' A' ' 143' ' ' GLN . 44.3 m -106.0 106.18 16.57 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.307 -0.86 . . . . 0.45 110.111 174.547 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 36.5 mmtm -81.42 122.11 27.09 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.327 -0.62 . . . . 0.79 109.327 175.176 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -129.8 117.06 19.64 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-O 120.834 0.35 . . . . 1.96 111.076 -172.768 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.412 ' HB2' ' HA ' ' A' ' 8' ' ' LEU . 58.5 m-85 -122.61 130.7 53.29 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.016 -0.538 . . . . 0.54 109.722 178.286 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.508 ' HG3' ' HB3' ' A' ' 57' ' ' ASP . 35.2 ptt180 -156.94 172.56 18.45 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.87 0.367 . . . . 3.17 111.231 -179.402 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.429 ' HA ' ' CD2' ' A' ' 56' ' ' TYR . 13.3 m120 -63.02 159.78 16.41 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.59 -0.732 . . . . 1.85 109.102 170.595 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.418 ' HA ' ' HB2' ' A' ' 57' ' ' ASP . . . -53.16 142.93 19.24 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 118.162 0.437 . . . . 0.87 111.906 -177.326 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -45.02 -60.47 2.06 Favored 'General case' 0 C--O 1.237 0.402 0 O-C-N 123.834 0.708 . . . . 1.48 112.833 -175.305 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 66.5 m -58.67 -42.44 88.44 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.489 0.661 . . . . 2.37 110.219 178.659 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 115.66 32.09 1.82 Allowed Glycine 0 N--CA 1.448 -0.502 0 CA-C-N 114.781 -1.099 . . . . 1.91 111.195 179.022 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 52.5 mtmt -87.19 127.69 58.24 Favored Pre-proline 0 C--N 1.322 -0.593 0 N-CA-C 109.501 -0.555 . . . . 3.17 109.501 -177.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.444 ' O ' ' HB2' ' A' ' 54' ' ' ASP . 26.3 Cg_endo -60.13 151.6 71.73 Favored 'Trans proline' 0 C--O 1.236 0.415 0 C-N-CA 123.032 2.488 . . . . 1.84 112.862 -175.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.444 ' HB2' ' O ' ' A' ' 53' ' ' PRO . 20.6 m-20 86.54 -58.8 0.05 Allowed 'General case' 0 CA--C 1.516 -0.334 0 O-C-N 124.689 1.243 . . . . 2.44 108.796 177.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.434 ' HD2' ' N ' ' A' ' 55' ' ' ARG . 4.7 mpt_? -68.38 137.86 54.89 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 114.892 -1.049 . . . . 4.1 112.111 177.316 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.429 ' CD2' ' HA ' ' A' ' 47' ' ' ASN . 43.6 m-85 -120.51 174.88 6.28 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.124 -0.943 . . . . 0.97 110.237 177.061 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.508 ' HB3' ' HG3' ' A' ' 46' ' ' ARG . 20.0 t70 -130.06 134.48 47.41 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.237 -0.653 . . . . 1.1 109.237 -177.673 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 1.6 tmt? -143.31 129.27 19.54 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.599 0.238 . . . . 0.98 110.397 -175.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.424 ' HG2' ' HA ' ' A' ' 68' ' ' HIS . 48.7 mt-10 -133.24 155.61 49.04 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.193 0.52 . . . . 1.11 111.876 -174.135 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.433 ' HB2' ' OG1' ' A' ' 67' ' ' THR . 54.0 m-80 -128.94 94.62 3.88 Favored 'General case' 0 CA--C 1.515 -0.366 0 CA-C-N 115.302 -0.863 . . . . 1.17 109.906 177.72 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.442 ' HB3' ' HB ' ' A' ' 42' ' ' THR . 63.1 tp -89.56 126.0 35.43 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 109.948 -0.39 . . . . 1.67 109.948 -179.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.496 ' HA ' ' O ' ' A' ' 40' ' ' GLY . 19.2 p -135.27 -174.17 3.54 Favored 'General case' 0 N--CA 1.451 -0.398 0 N-CA-C 109.736 -0.468 . . . . 0.45 109.736 -178.847 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 18.4 p -91.8 -20.49 21.44 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.936 0.398 . . . . 0.54 110.953 -178.206 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.437 ' HE3' HG13 ' A' ' 35' ' ' VAL . 75.9 mmtt -107.94 -33.87 7.08 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.919 0.39 . . . . 2.24 111.167 -173.507 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.691 ' HG3' ' H ' ' A' ' 66' ' ' ASP . 22.3 tptp -139.27 -142.27 0.15 Allowed 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 109.331 -0.618 . . . . 1.82 109.331 -178.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.691 ' H ' ' HG3' ' A' ' 65' ' ' LYS . 15.2 t70 160.55 129.51 0.0 OUTLIER 'General case' 0 C--N 1.308 -1.227 0 O-C-N 124.406 1.067 . . . . 2.12 109.677 -168.245 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.482 HG23 HD13 ' A' ' 83' ' ' LEU . 13.0 p -126.8 157.7 38.53 Favored 'General case' 0 C--N 1.314 -0.957 0 N-CA-C 108.584 -0.895 . . . . 0.56 108.584 168.442 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.424 ' HA ' ' HG2' ' A' ' 59' ' ' GLU . 0.3 OUTLIER -152.85 80.88 1.21 Allowed 'General case' 0 C--N 1.314 -0.96 0 CA-C-O 121.835 0.826 . . . . 1.95 110.391 -176.818 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -67.1 87.15 0.15 Allowed 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 114.429 -1.26 . . . . 0.39 109.453 178.629 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -87.93 127.75 35.37 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 112.854 0.687 . . . . 2.3 112.854 -177.693 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 17.2 t70 62.43 67.83 0.7 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 114.81 -1.086 . . . . 2.07 110.959 170.241 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 68.2 p-90 -119.21 162.11 19.24 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.824 -0.626 . . . . 0.43 110.991 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -124.62 146.34 49.13 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.081 -0.711 . . . . 0.55 109.081 171.777 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.739 HD13 ' H ' ' A' ' 74' ' ' LEU . 0.0 OUTLIER -61.84 140.19 58.29 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.757 0.789 . . . . 1.71 110.122 173.3 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 84.23 7.92 84.38 Favored Glycine 0 N--CA 1.444 -0.778 0 CA-C-N 114.871 -1.059 . . . . 0.59 111.88 -170.203 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -117.29 125.46 51.12 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-O 121.354 0.597 . . . . 2.37 111.412 -178.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.465 ' HA ' ' HA ' ' A' ' 91' ' ' THR . 42.4 tt0 -89.86 127.87 36.08 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.013 -0.994 . . . . 1.4 110.401 173.346 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 21.0 p90 -133.3 154.29 50.83 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.932 -0.577 . . . . 0.57 110.537 -178.536 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -94.13 145.86 24.39 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 110.01 -0.367 . . . . 1.95 110.01 177.784 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 41.9 t0 -152.3 168.14 26.38 Favored 'General case' 0 C--O 1.248 0.977 0 N-CA-C 110.029 -0.36 . . . . 1.26 110.029 -176.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.586 ' HA ' ' NE2' ' A' ' 87' ' ' GLN . 10.0 pt-20 -85.13 88.83 7.51 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-O 121.807 0.813 . . . . 2.13 109.829 -178.769 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.559 ' HB1' ' OD1' ' A' ' 84' ' ' ASP . . . -48.31 146.96 2.52 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 113.893 -1.503 . . . . 0.95 114.298 -169.044 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.482 HD13 HG23 ' A' ' 67' ' ' THR . 2.8 mm? -55.83 -36.67 67.75 Favored 'General case' 0 CA--C 1.517 -0.315 0 CA-C-N 115.32 -0.855 . . . . 1.34 108.754 170.545 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.559 ' OD1' ' HB1' ' A' ' 82' ' ' ALA . 6.2 p-10 -78.65 23.62 0.31 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 114.499 -1.228 . . . . 1.55 112.287 -177.752 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 48.0 m 61.44 29.04 18.27 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 115.748 -0.66 . . . . 1.21 112.532 170.038 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 71.8 p -128.67 -174.7 3.31 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.684 -0.487 . . . . 0.93 109.684 174.849 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.586 ' NE2' ' HA ' ' A' ' 81' ' ' GLU . 31.0 mm-40 -117.5 119.64 35.65 Favored 'General case' 0 C--N 1.31 -1.124 0 N-CA-C 108.011 -1.107 . . . . 1.88 108.011 172.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . 0.712 ' HA ' HG13 ' A' ' 107' ' ' VAL . 20.7 p80 -153.33 169.43 23.11 Favored 'General case' 0 C--N 1.316 -0.858 0 C-N-CA 118.373 -1.331 . . . . 1.04 113.243 179.313 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.404 ' HG2' ' O ' ' A' ' 105' ' ' ILE . 53.7 pttt -81.49 152.98 27.07 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 114.458 -1.246 . . . . 1.49 110.266 -174.366 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.46 ' HA ' ' HA ' ' A' ' 104' ' ' HIS . 67.6 mt -145.91 120.99 3.05 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 CA-C-N 115.18 -0.918 . . . . 0.54 110.077 -176.491 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.465 ' HA ' ' HA ' ' A' ' 77' ' ' GLU . 19.3 m -98.2 124.58 42.86 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-O 120.861 0.362 . . . . 0.43 110.367 175.28 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -102.12 124.08 47.09 Favored 'General case' 0 CA--C 1.506 -0.713 0 N-CA-C 108.157 -1.053 . . . . 0.6 108.157 174.387 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -143.3 138.37 29.49 Favored 'General case' 0 C--N 1.314 -0.949 0 C-N-CA 120.651 -0.419 . . . . 1.69 110.516 -171.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.482 HD22 ' HG ' ' A' ' 100' ' ' LEU . 1.8 mm? -87.34 116.23 25.29 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.281 -0.418 . . . . 1.12 109.915 176.269 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 53.6 tttm -89.92 -52.84 4.77 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.659 -0.7 . . . . 3.03 109.115 -176.739 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -133.98 165.4 36.96 Favored Pre-proline 0 C--N 1.32 -0.699 0 N-CA-C 107.895 -1.15 . . . . 1.79 107.895 174.677 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 13.2 Cg_exo -71.75 4.46 3.08 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.624 2.216 . . . . 0.98 111.312 178.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . 0.537 ' O ' ' HA ' ' A' ' 119' ' ' ARG . 5.1 t-20 -127.34 0.95 6.35 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.319 -0.855 . . . . 2.32 109.495 178.273 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 24.6 m -143.54 107.72 4.75 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-O 121.238 0.542 . . . . 0.56 112.039 -175.34 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.544 HD23 ' N ' ' A' ' 101' ' ' THR . 3.2 tt -91.77 143.39 26.58 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 107.386 -1.339 . . . . 1.1 107.386 172.59 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.544 ' N ' HD23 ' A' ' 100' ' ' LEU . 33.0 p -125.94 141.93 51.75 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 119.576 1.08 . . . . 0.41 112.476 -179.205 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.598 ' O ' ' HA ' ' A' ' 115' ' ' THR . 34.8 tt0 -112.05 109.76 19.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.418 -0.81 . . . . 1.31 109.695 172.703 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 54.3 m -103.22 101.43 11.37 Favored 'General case' 0 C--N 1.317 -0.808 0 N-CA-C 108.978 -0.749 . . . . 0.51 108.978 175.612 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' HIS . . . . . 0.46 ' HA ' ' HA ' ' A' ' 90' ' ' ILE . 0.8 OUTLIER -111.58 135.91 51.51 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-O 121.14 0.495 . . . . 1.69 110.714 -174.736 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.664 ' O ' ' HB2' ' A' ' 88' ' ' HIS . 48.7 mt -137.44 137.88 45.44 Favored 'Isoleucine or valine' 0 C--O 1.233 0.214 0 CA-C-N 115.231 -0.895 . . . . 0.75 111.278 -172.615 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.562 ' HB2' ' O ' ' A' ' 109' ' ' ASP . 34.1 mmtm -59.39 123.82 18.01 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.975 -0.557 . . . . 1.61 111.866 174.255 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.712 HG13 ' HA ' ' A' ' 88' ' ' HIS . 19.2 m -68.61 -27.97 38.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 115.832 -0.622 . . . . 1.32 110.209 171.559 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -72.16 -67.78 0.52 Allowed 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.356 -0.838 . . . . 2.5 109.97 177.626 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . 0.562 ' O ' ' HB2' ' A' ' 106' ' ' LYS . 6.8 p-10 -124.19 93.16 47.23 Favored Pre-proline 0 C--N 1.323 -0.571 0 CA-C-N 115.307 -0.86 . . . . 2.39 110.128 178.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . 0.457 ' HD2' ' HA ' ' A' ' 109' ' ' ASP . 51.4 Cg_endo -67.0 14.26 0.13 Allowed 'Trans proline' 0 C--O 1.233 0.247 0 C-N-CA 123.871 3.047 . . . . 0.9 113.865 -175.669 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 32.3 p -76.49 -22.5 54.43 Favored 'General case' 0 N--CA 1.443 -0.812 0 N-CA-C 109.427 -0.583 . . . . 1.47 109.427 172.225 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . 0.551 ' HB3' ' CG ' ' A' ' 106' ' ' LYS . 38.1 t70 -78.9 92.06 4.85 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.454 -0.794 . . . . 1.59 109.635 172.625 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.489 HG12 HG12 ' A' ' 105' ' ' ILE . 0.0 OUTLIER -117.16 124.35 72.91 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.608 0 CA-C-N 115.595 -0.729 . . . . 1.6 111.024 -178.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.419 ' HB3' ' CD2' ' A' ' 104' ' ' HIS . 40.8 tt0 -147.87 147.11 29.41 Favored 'General case' 0 C--N 1.317 -0.828 0 C-N-CA 120.144 -0.622 . . . . 2.78 111.578 -177.01 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . 0.598 ' HA ' ' O ' ' A' ' 102' ' ' GLU . 31.6 m -135.52 127.24 29.12 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 115.848 -0.615 . . . . 0.53 110.986 -179.648 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' TYR . . . . . 0.422 ' CE2' ' HE1' ' A' ' 104' ' ' HIS . 18.6 m-85 -106.18 155.26 19.63 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 107.204 -1.406 . . . . 0.96 107.204 171.552 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . 0.527 ' HG2' HG22 ' A' ' 101' ' ' THR . 26.3 mt-10 -130.04 130.7 45.27 Favored 'General case' 0 N--CA 1.447 -0.596 0 N-CA-C 108.589 -0.893 . . . . 1.27 108.589 -175.742 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 50.8 m-85 -101.86 103.27 13.95 Favored 'General case' 0 C--N 1.316 -0.854 0 N-CA-C 109.814 -0.439 . . . . 0.6 109.814 -179.619 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . 0.537 ' HA ' ' O ' ' A' ' 98' ' ' ASN . 69.1 mtp85 -102.57 157.06 17.2 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.955 -0.566 . . . . 3.41 110.151 179.394 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . 0.663 ' NH2' ' HA ' ' A' ' 123' ' ' ASP . 6.4 mmm180 -117.65 118.26 31.61 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 120.949 0.404 . . . . 1.96 111.995 178.043 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -132.06 118.91 20.29 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.551 -0.75 . . . . 1.08 109.883 175.098 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 70.2 -116.57 6.77 Favored Glycine 0 N--CA 1.447 -0.567 0 N-CA-C 110.792 -0.923 . . . . 0.92 110.792 -174.575 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . 0.663 ' HA ' ' NH2' ' A' ' 120' ' ' ARG . 28.3 t70 -121.73 19.28 11.08 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.625 0.726 . . . . 2.31 109.515 172.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . 0.67 ' CE2' ' HB3' ' A' ' 141' ' ' LYS . 88.5 m-85 -102.75 133.77 47.25 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.635 -0.711 . . . . 0.67 111.073 -178.156 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.464 ' HB3' ' HB2' ' A' ' 140' ' ' TYR . 3.1 tm? -81.49 111.48 17.85 Favored 'General case' 0 N--CA 1.445 -0.715 0 N-CA-C 107.162 -1.421 . . . . 1.03 107.162 171.05 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 46.8 t -101.19 108.36 23.23 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.862 0 CA-C-O 121.046 0.451 . . . . 0.47 110.213 -171.226 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 127' ' ' MET . . . . . . . . . . . . . 10.3 ttm -81.43 123.96 29.03 Favored 'General case' 0 C--N 1.313 -0.983 0 CA-C-N 115.743 -0.662 . . . . 1.08 110.008 176.669 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 22.4 tptm -117.22 128.05 54.71 Favored 'General case' 0 C--N 1.315 -0.903 0 N-CA-C 108.703 -0.851 . . . . 2.2 108.703 178.424 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 129' ' ' MET . . . . . 0.72 ' HE2' ' HE1' ' A' ' 19' ' ' PHE . 7.2 ptm -150.1 135.54 18.17 Favored 'General case' 0 C--N 1.311 -1.077 0 N-CA-C 109.231 -0.655 . . . . 1.11 109.231 -175.478 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 1.8 m -140.77 136.92 32.99 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 120.905 0.383 . . . . 1.06 111.012 -176.818 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 131' ' ' TRP . . . . . 0.606 ' CD1' ' HD3' ' A' ' 132' ' ' LYS . 33.0 t-105 -141.32 125.33 17.2 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.892 -0.595 . . . . 0.76 110.09 -178.119 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . 0.606 ' HD3' ' CD1' ' A' ' 131' ' ' TRP . 13.9 mptt 48.9 45.19 22.48 Favored 'General case' 0 C--N 1.33 -0.283 0 O-C-N 123.695 0.622 . . . . 1.96 112.051 -179.118 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 82.65 -7.22 66.12 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.941 -0.647 . . . . 0.53 113.604 177.581 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 16.5 t -94.34 104.68 16.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 117.353 0.576 . . . . 0.43 110.055 178.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 1.3 m -99.46 150.22 22.41 Favored 'General case' 0 N--CA 1.441 -0.892 0 CA-C-N 116.019 -0.537 . . . . 1.14 110.684 -179.541 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 5.8 t -152.19 143.47 23.28 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.881 -0.6 . . . . 0.4 111.013 176.696 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 37.9 m -110.3 125.78 53.52 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.6 -0.727 . . . . 0.79 110.182 174.218 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 9.2 mtm180 -107.78 114.94 29.26 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.028 -0.73 . . . . 1.84 109.028 175.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 91.2 m-85 -91.47 121.03 32.81 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.124 -0.489 . . . . 0.64 111.344 -173.129 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 140' ' ' TYR . . . . . 0.464 ' HB2' ' HB3' ' A' ' 125' ' ' LEU . 61.0 m-85 -111.6 137.04 49.98 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.405 -0.816 . . . . 0.6 110.111 178.037 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 141' ' ' LYS . . . . . 0.67 ' HB3' ' CE2' ' A' ' 124' ' ' TYR . 0.0 OUTLIER -120.7 165.09 15.57 Favored 'General case' 0 C--O 1.208 -1.104 0 N-CA-C 107.755 -1.202 . . . . 1.92 107.755 174.024 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 60.0 mttp -49.13 164.47 0.07 Allowed 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 119.033 0.833 . . . . 2.13 112.685 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . 0.472 ' CD ' ' HG2' ' A' ' 12' ' ' LYS . 46.8 mm-40 . . . . . 0 C--O 1.25 1.095 0 O-C-N 121.299 -0.876 . . . . 1.46 110.495 165.748 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.3 m . . . . . 0 N--CA 1.45 -0.435 0 N-CA-C 109.596 -0.52 . . . . 0.99 109.596 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.59 HD23 ' HD2' ' A' ' 4' ' ' PRO . 0.4 OUTLIER -57.3 120.89 43.41 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-N 116.062 -0.517 . . . . 0.59 110.817 -176.655 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . 0.59 ' HD2' HD23 ' A' ' 3' ' ' LEU . 44.0 Cg_exo -56.18 123.81 14.75 Favored 'Trans proline' 0 N--CA 1.459 -0.512 0 C-N-CA 122.666 2.244 . . . . 0.61 111.015 174.293 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . 0.467 ' HA ' HD12 ' A' ' 8' ' ' LEU . 4.2 m-20 -53.04 -21.97 5.26 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.819 -0.628 . . . . 2.19 112.398 -178.374 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 52.2 mtmt -52.42 -32.22 38.16 Favored 'General case' 0 CA--C 1.532 0.255 0 N-CA-C 112.042 0.386 . . . . 2.53 112.042 176.317 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 30.3 m-85 -92.55 -2.12 56.42 Favored 'General case' 0 C--N 1.331 -0.21 0 O-C-N 122.2 -0.313 . . . . 0.6 111.743 -175.501 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.467 HD12 ' HA ' ' A' ' 5' ' ' ASP . 89.8 mt -95.19 142.08 28.04 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.071 0.462 . . . . 0.46 111.413 -170.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 136.38 174.78 13.49 Favored Glycine 0 N--CA 1.448 -0.558 0 CA-C-N 115.47 -0.786 . . . . 0.52 112.126 179.613 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.499 HG23 ' HG2' ' A' ' 44' ' ' LYS . 52.7 m -102.97 120.39 40.56 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.843 -0.429 . . . . 1.05 109.843 175.699 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.5 ' HA ' ' HA ' ' A' ' 142' ' ' LYS . 23.9 m-85 -118.82 135.27 54.63 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.953 -0.112 . . . . 0.47 111.29 -175.438 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.59 ' HD3' ' O ' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -94.49 139.8 30.67 Favored 'General case' 0 C--O 1.235 0.312 0 C-N-CA 120.247 -0.581 . . . . 2.19 110.551 169.375 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.0 tt -55.75 112.64 1.21 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.03 -0.532 . . . . 1.14 110.895 174.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -78.58 -52.13 8.92 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.675 -0.491 . . . . 2.08 109.675 179.238 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 28.7 ptt-85 -162.75 177.11 9.61 Favored 'General case' 0 C--O 1.234 0.266 0 N-CA-C 110.036 -0.357 . . . . 3.36 110.036 178.215 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -134.02 159.14 41.7 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.482 -0.326 . . . . 1.19 110.623 -177.436 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -141.38 117.42 10.57 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.363 -0.38 . . . . 2.66 110.246 179.642 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 42.2 t30 68.86 25.3 6.2 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-O 121.516 0.674 . . . . 0.76 110.951 176.422 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.604 ' CD1' ' HD2' ' A' ' 138' ' ' ARG . 19.5 t80 -76.02 -41.21 51.68 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.549 -0.75 . . . . 0.49 110.676 -176.116 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.425 ' O ' ' HG3' ' A' ' 24' ' ' LYS . 16.3 t70 -54.62 -52.0 63.6 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.979 0.419 . . . . 2.04 110.447 176.598 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 63.7 mm-40 -53.76 -43.25 69.02 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.574 -0.739 . . . . 1.79 111.449 177.195 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 80.3 t80 -58.05 -41.28 82.96 Favored 'General case' 0 C--O 1.226 -0.161 0 CA-C-N 116.615 -0.266 . . . . 0.57 110.626 176.471 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.446 ' HG ' ' O ' ' A' ' 19' ' ' PHE . 90.0 mt -65.66 -41.02 93.01 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.821 0.343 . . . . 0.37 110.405 -178.242 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.425 ' HG3' ' O ' ' A' ' 20' ' ' ASP . 27.4 mtpp -61.72 -52.95 62.16 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.37 0.605 . . . . 1.88 109.825 177.561 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.87 -40.14 79.49 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 114.877 -1.056 . . . . 0.44 111.179 178.477 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 23.7 tpt85 -67.82 -19.52 65.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.714 -0.676 . . . . 1.29 111.184 -177.302 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 103.77 25.39 7.25 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.654 -0.784 . . . . 0.62 113.5 179.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 59.4 m-85 -99.28 127.27 45.26 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 117.159 0.479 . . . . 0.64 110.69 177.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.523 ' O ' ' HG3' ' A' ' 33' ' ' ARG . . . -75.4 178.65 47.2 Favored Glycine 0 N--CA 1.446 -0.644 0 CA-C-N 115.543 -0.753 . . . . 1.54 112.57 -179.558 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.551 ' O ' ' HG2' ' A' ' 34' ' ' GLN . 86.7 t90 -49.42 -51.29 36.33 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 122.91 0.484 . . . . 1.18 112.022 -175.296 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.408 ' HA ' HD13 ' A' ' 31' ' ' ILE . 1.3 mm -54.18 -53.79 26.19 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 N-CA-C 111.748 0.277 . . . . 2.16 111.748 -178.806 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.582 ' O ' HG13 ' A' ' 36' ' ' ILE . 69.2 mmm -57.98 -40.81 81.57 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.341 -0.39 . . . . 0.97 110.993 179.515 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.523 ' HG3' ' O ' ' A' ' 29' ' ' GLY . 59.8 mtm-85 -68.21 -15.98 63.79 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.766 0.317 . . . . 1.87 111.134 -179.071 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.553 ' O ' HD23 ' A' ' 38' ' ' LEU . 29.0 mm-40 -89.62 -17.8 27.75 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.838 0.351 . . . . 1.97 110.523 176.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 57.8 t -95.13 -63.8 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 121.071 0.462 . . . . 0.68 110.876 177.376 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.582 HG13 ' O ' ' A' ' 32' ' ' MET . 34.9 mt -45.72 -49.11 4.47 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.424 0 N-CA-C 114.447 1.277 . . . . 0.51 114.447 -174.442 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.617 ' HG3' HD22 ' A' ' 38' ' ' LEU . 64.6 pttt -85.28 -0.18 53.92 Favored 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 120.045 -0.662 . . . . 0.97 111.908 -173.507 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.617 HD22 ' HG3' ' A' ' 37' ' ' LYS . 2.7 mm? -110.12 2.01 19.17 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.104 0.478 . . . . 2.08 110.343 176.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -85.31 123.52 30.88 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 115.876 -0.602 . . . . 1.03 110.25 178.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.592 ' O ' ' HA ' ' A' ' 62' ' ' THR . . . -66.46 130.53 31.79 Favored Glycine 0 N--CA 1.446 -0.672 0 N-CA-C 111.086 -0.806 . . . . 0.84 111.086 175.005 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.468 HG22 HG22 ' A' ' 62' ' ' THR . 40.7 t -121.04 124.86 73.15 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-O 120.952 0.406 . . . . 1.3 110.578 -174.885 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 15.1 m -114.49 114.24 25.53 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.904 -0.589 . . . . 0.45 110.253 179.298 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.407 ' HE3' ' HE3' ' A' ' 127' ' ' MET . 73.8 mmtt -89.31 136.36 33.07 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.084 -0.507 . . . . 0.79 109.932 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.504 ' O ' ' HA ' ' A' ' 58' ' ' MET . 93.7 mttt -133.55 100.42 4.8 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.604 0.24 . . . . 1.96 111.27 -176.385 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 82.3 m-85 -105.37 129.69 53.64 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.716 -0.476 . . . . 0.54 109.716 175.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.419 ' HG3' ' O ' ' A' ' 47' ' ' ASN . 12.3 ptp180 -156.42 172.01 19.26 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 116.64 -0.255 . . . . 3.17 110.528 -178.847 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.419 ' O ' ' HG3' ' A' ' 46' ' ' ARG . 25.5 m-80 -65.5 152.57 43.7 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 108.571 -0.9 . . . . 1.85 108.571 169.173 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.434 ' HA ' ' HB2' ' A' ' 57' ' ' ASP . . . -53.82 134.19 42.48 Favored 'General case' 0 CA--C 1.519 -0.222 0 CA-C-O 121.376 0.608 . . . . 0.87 111.153 -176.89 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.7 -38.98 86.83 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 114.425 -1.261 . . . . 1.48 112.672 -167.733 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 32.5 t -83.37 16.96 2.28 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-O 121.341 0.591 . . . . 2.37 110.957 179.217 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 67.7 36.53 87.74 Favored Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.953 -0.642 . . . . 1.91 112.758 178.672 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -82.22 121.78 78.9 Favored Pre-proline 0 C--N 1.324 -0.532 0 N-CA-C 109.995 -0.372 . . . . 3.17 109.995 177.377 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.461 ' O ' ' HB2' ' A' ' 54' ' ' ASP . 61.1 Cg_endo -70.66 141.17 40.94 Favored 'Trans proline' 0 C--O 1.236 0.376 0 C-N-CA 122.708 2.272 . . . . 1.84 112.007 -177.592 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.461 ' HB2' ' O ' ' A' ' 53' ' ' PRO . 16.1 m-20 79.78 -48.63 0.37 Allowed 'General case' 0 N--CA 1.469 0.523 0 O-C-N 124.091 0.87 . . . . 2.44 109.455 -178.764 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 15.7 mmt180 -60.26 136.0 57.9 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.352 -0.84 . . . . 4.1 111.911 172.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.505 ' CE1' ' HB2' ' A' ' 3' ' ' LEU . 47.4 m-85 -121.18 165.67 15.06 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.316 -0.856 . . . . 0.97 109.856 174.852 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.434 ' HB2' ' HA ' ' A' ' 48' ' ' ALA . 21.2 t70 -120.2 140.03 51.75 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 116.463 -0.335 . . . . 1.1 110.282 -176.852 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.504 ' HA ' ' O ' ' A' ' 44' ' ' LYS . 9.9 tpt -137.36 135.2 36.8 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.253 -0.43 . . . . 0.98 110.244 -178.043 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.453 ' HB3' ' HB2' ' A' ' 44' ' ' LYS . 35.3 tt0 -133.08 137.08 46.25 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 121.03 0.443 . . . . 1.11 110.436 -179.89 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.634 ' HB2' ' OG1' ' A' ' 67' ' ' THR . 0.9 OUTLIER -117.62 90.29 3.3 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 108.454 -0.943 . . . . 1.17 108.454 -178.243 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 59.8 tp -90.44 139.52 30.6 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.388 -0.369 . . . . 1.67 110.358 -177.592 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.592 ' HA ' ' O ' ' A' ' 40' ' ' GLY . 49.3 p -138.4 -164.37 1.62 Allowed 'General case' 0 N--CA 1.445 -0.704 0 N-CA-C 109.342 -0.614 . . . . 0.45 109.342 177.699 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 64.0 p -94.44 -31.4 13.99 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-O 121.22 0.533 . . . . 0.54 110.772 179.167 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 72.2 mmtt -108.83 -11.01 15.08 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.622 -0.717 . . . . 2.24 111.794 -172.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.489 ' HG2' ' HA ' ' A' ' 83' ' ' LEU . 12.9 tptp -142.42 -152.99 0.44 Allowed 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 120.911 -0.316 . . . . 1.82 110.904 -177.643 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 15.2 t70 166.97 126.84 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.242 -0.89 . . . . 2.12 110.094 -169.528 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.634 ' OG1' ' HB2' ' A' ' 60' ' ' ASN . 35.4 p -139.68 148.86 42.97 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 109.459 -0.571 . . . . 0.56 109.459 175.217 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 9.8 t-160 -141.22 98.08 3.3 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 121.083 0.468 . . . . 1.95 109.846 -179.422 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 32.3 m-70 -76.9 85.46 3.46 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.702 -0.681 . . . . 0.39 109.467 178.719 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 25.0 mttp -71.76 116.08 11.72 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.539 -0.755 . . . . 2.3 112.564 -175.388 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.4 p30 48.69 82.73 0.04 OUTLIER 'General case' 0 N--CA 1.472 0.632 0 CA-C-O 122.595 1.188 . . . . 2.07 113.276 174.103 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' TRP . . . . . 0.486 ' HE1' ' CB ' ' A' ' 58' ' ' MET . 64.1 p-90 -114.84 162.36 16.99 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 114.453 -1.248 . . . . 0.43 109.518 176.151 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.647 ' O ' ' HB3' ' A' ' 76' ' ' GLU . . . -126.32 151.24 47.82 Favored 'General case' 0 C--N 1.317 -0.812 0 N-CA-C 109.31 -0.626 . . . . 0.55 109.31 172.444 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.656 HD13 ' H ' ' A' ' 74' ' ' LEU . 0.0 OUTLIER -65.27 145.05 56.71 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.528 0.68 . . . . 1.71 110.11 172.241 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 82.01 -9.15 58.07 Favored Glycine 0 N--CA 1.446 -0.684 0 CA-C-N 115.068 -0.969 . . . . 0.59 111.983 -171.273 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.647 ' HB3' ' O ' ' A' ' 73' ' ' ALA . 7.6 tp10 -97.21 150.28 21.08 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.251 0.548 . . . . 2.37 110.663 -175.405 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -129.35 123.08 30.87 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.08 -0.963 . . . . 1.4 108.817 179.191 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 51.0 p90 -131.92 157.12 44.85 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 116.246 -0.433 . . . . 0.57 109.954 -176.154 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -92.23 142.26 27.67 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 109.224 -0.658 . . . . 1.95 109.224 176.702 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 34.0 t0 -164.02 162.61 23.28 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.263 -0.643 . . . . 1.26 109.263 -173.564 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.513 ' HA ' ' HA ' ' A' ' 87' ' ' GLN . 31.9 tt0 -98.75 114.77 27.44 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.522 0.677 . . . . 2.13 109.329 -179.727 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -82.91 174.07 11.25 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 114.636 -1.166 . . . . 0.95 112.055 -174.188 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.489 ' HA ' ' HG2' ' A' ' 65' ' ' LYS . 13.4 mt -64.7 -16.94 63.62 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.358 -0.837 . . . . 1.34 110.812 -179.661 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 6.2 p30 -77.83 8.85 4.04 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.452 -0.794 . . . . 1.55 112.067 179.398 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 14.5 m 73.7 3.18 4.45 Favored 'General case' 0 N--CA 1.465 0.281 0 C-N-CA 123.285 0.634 . . . . 1.21 112.345 174.689 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 16.6 p -119.38 160.62 21.95 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.749 0.309 . . . . 0.93 110.311 176.348 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.513 ' HA ' ' HA ' ' A' ' 81' ' ' GLU . 3.4 pt20 -114.49 129.52 56.67 Favored 'General case' 0 CA--C 1.507 -0.687 0 CA-C-O 121.608 0.718 . . . . 1.88 110.557 179.861 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . 0.812 ' HA ' HG23 ' A' ' 107' ' ' VAL . 4.1 p80 -149.39 175.11 11.75 Favored 'General case' 0 C--N 1.313 -0.994 0 CA-C-N 114.811 -1.086 . . . . 1.04 110.066 -174.065 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 15.2 pttp -79.09 139.99 37.95 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-O 121.324 0.583 . . . . 1.49 109.741 -176.806 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 64.8 mt -134.77 126.34 47.44 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.026 0 CA-C-N 115.142 -0.935 . . . . 0.54 110.329 -173.042 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 8.7 m -109.59 132.68 53.92 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 115.978 -0.555 . . . . 0.43 110.501 179.089 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -108.48 135.11 50.3 Favored 'General case' 0 C--N 1.317 -0.821 0 N-CA-C 108.014 -1.106 . . . . 0.6 108.014 171.691 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -155.06 142.01 19.17 Favored 'General case' 0 C--N 1.317 -0.833 0 C-N-CA 120.639 -0.424 . . . . 1.69 110.886 -176.527 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.418 HD22 ' HG ' ' A' ' 100' ' ' LEU . 1.7 mm? -87.56 116.51 25.73 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 109.303 -0.628 . . . . 1.12 109.303 175.12 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 40.2 ttpt -80.74 -43.94 19.43 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 108.444 -0.947 . . . . 3.03 108.444 -177.353 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -157.3 165.13 19.43 Favored Pre-proline 0 C--N 1.32 -0.686 0 N-CA-C 107.347 -1.353 . . . . 1.79 107.347 175.047 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -60.68 4.65 0.19 Allowed 'Trans proline' 0 CA--C 1.535 0.538 0 C-N-CA 123.184 2.589 . . . . 0.98 114.615 -175.591 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . 0.551 ' OD1' ' HB3' ' A' ' 120' ' ' ARG . 65.8 t30 -132.04 11.97 4.69 Favored 'General case' 0 C--N 1.329 -0.307 0 O-C-N 122.128 -0.358 . . . . 2.32 111.18 177.262 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 42.3 m -152.91 116.15 4.65 Favored 'General case' 0 CA--C 1.533 0.323 0 N-CA-C 112.911 0.708 . . . . 0.56 112.911 179.174 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.422 HD23 ' H ' ' A' ' 101' ' ' THR . 0.6 OUTLIER -90.2 154.02 20.06 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 114.978 -1.01 . . . . 1.1 108.322 172.096 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.44 HG22 ' HG2' ' A' ' 117' ' ' GLU . 18.2 p -129.77 135.54 48.57 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 118.619 0.645 . . . . 0.41 111.296 175.565 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 65.0 tt0 -117.2 106.45 13.32 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.793 -0.64 . . . . 1.31 109.363 175.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 50.7 m -105.66 121.18 43.47 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.127 0.489 . . . . 0.51 111.164 -175.5 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' HIS . . . . . 0.509 ' HB3' ' CE1' ' A' ' 88' ' ' HIS . 9.8 m170 -104.03 117.2 33.72 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.906 -0.588 . . . . 1.69 109.908 179.41 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.548 ' O ' ' HB2' ' A' ' 88' ' ' HIS . 46.1 mt -118.9 119.1 59.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 121.111 0.481 . . . . 0.75 110.58 175.374 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.609 ' HA ' ' CB ' ' A' ' 88' ' ' HIS . 46.0 mtpt -64.61 124.55 22.17 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.473 -0.785 . . . . 1.61 111.968 -177.55 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.812 HG23 ' HA ' ' A' ' 88' ' ' HIS . 86.4 t -58.69 -35.49 55.69 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.63 0 CA-C-N 114.432 -1.258 . . . . 1.32 110.949 176.692 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . 0.532 ' OD2' ' HE2' ' A' ' 106' ' ' LYS . 18.3 p-10 -82.0 -42.75 18.92 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.346 -0.843 . . . . 2.5 110.613 -179.053 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . 0.578 ' O ' ' HB2' ' A' ' 106' ' ' LYS . 18.5 m-20 -135.29 89.7 22.58 Favored Pre-proline 0 CA--C 1.516 -0.337 0 CA-C-O 121.107 0.48 . . . . 2.39 110.897 176.546 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -70.67 1.07 5.41 Favored 'Trans proline' 0 C--N 1.332 -0.29 0 C-N-CA 123.292 2.661 . . . . 0.9 113.282 -176.519 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 37.4 p -81.32 -17.9 47.61 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.451 0.644 . . . . 1.47 109.606 176.477 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -88.72 49.95 1.88 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.267 -0.879 . . . . 1.59 110.072 179.353 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 2.3 p -71.83 114.5 10.51 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.032 0 CA-C-O 121.506 0.669 . . . . 1.6 111.513 -179.676 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -113.72 137.38 51.7 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.037 -0.983 . . . . 2.78 109.896 -176.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 27.5 m -135.4 129.76 33.82 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.256 0.55 . . . . 0.53 112.127 -177.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' TYR . . . . . 0.481 ' CE2' ' HE1' ' A' ' 104' ' ' HIS . 4.7 m-30 -107.72 152.66 24.04 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 106.611 -1.625 . . . . 0.96 106.611 169.721 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . 0.466 ' O ' ' HA ' ' A' ' 127' ' ' MET . 35.4 mt-10 -130.18 131.7 45.72 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 119.278 0.945 . . . . 1.27 108.484 -178.282 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . 0.433 ' HD1' HD11 ' A' ' 125' ' ' LEU . 99.1 m-85 -104.87 95.49 5.91 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 120.83 0.348 . . . . 0.6 110.837 -177.404 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.49 151.71 23.93 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 109.842 -0.429 . . . . 3.41 109.842 179.649 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . 0.551 ' HB3' ' OD1' ' A' ' 98' ' ' ASN . 21.3 tpt180 -99.14 133.01 44.04 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 120.826 0.346 . . . . 1.96 110.708 -176.857 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -121.33 76.75 1.26 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.021 -0.536 . . . . 1.08 109.661 177.541 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 64.93 -95.32 0.19 Allowed Glycine 0 N--CA 1.447 -0.6 0 CA-C-N 115.541 -0.754 . . . . 0.92 112.562 -179.44 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -102.17 -10.31 19.73 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.174 0.512 . . . . 2.31 110.664 -178.703 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . 0.472 ' CD2' ' HB3' ' A' ' 141' ' ' LYS . 95.1 m-85 -104.69 146.95 28.23 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.157 0.503 . . . . 0.67 111.597 -177.259 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.433 HD11 ' HD1' ' A' ' 118' ' ' TYR . 2.7 tm? -99.36 122.01 41.9 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 107.363 -1.347 . . . . 1.03 107.363 172.054 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 59.9 t -117.38 127.55 74.84 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-O 121.224 0.535 . . . . 0.47 110.63 -171.27 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 127' ' ' MET . . . . . 0.466 ' HA ' ' O ' ' A' ' 117' ' ' GLU . 29.2 ttm -97.31 140.36 31.9 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 115.462 -0.79 . . . . 1.08 110.341 178.409 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -126.88 113.84 17.09 Favored 'General case' 0 C--N 1.316 -0.856 0 N-CA-C 109.485 -0.561 . . . . 2.2 109.485 176.47 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 129' ' ' MET . . . . . 0.502 ' O ' ' HA ' ' A' ' 135' ' ' SER . 24.5 mtp -113.62 143.04 45.24 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 108.641 -0.874 . . . . 1.11 108.641 179.854 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . 0.463 ' HA ' ' O ' ' A' ' 134' ' ' VAL . 11.7 p -141.17 130.31 23.41 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.453 -0.499 . . . . 1.06 112.187 -177.846 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 131' ' ' TRP . . . . . 0.531 ' CD1' ' HD3' ' A' ' 132' ' ' LYS . 43.4 t-105 -144.38 124.45 13.62 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.259 -0.882 . . . . 0.76 109.768 175.791 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . 0.531 ' HD3' ' CD1' ' A' ' 131' ' ' TRP . 14.3 mptt 51.78 44.28 29.42 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-O 121.1 0.476 . . . . 1.96 111.484 -176.472 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 85.18 -27.14 5.17 Favored Glycine 0 N--CA 1.45 -0.413 0 CA-C-N 115.844 -0.616 . . . . 0.53 112.661 178.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . 0.463 ' O ' ' HA ' ' A' ' 130' ' ' SER . 16.0 t -70.18 105.12 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 120.836 0.35 . . . . 0.43 110.206 -177.321 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 135' ' ' SER . . . . . 0.502 ' HA ' ' O ' ' A' ' 129' ' ' MET . 4.6 m -102.77 142.16 34.37 Favored 'General case' 0 N--CA 1.43 -1.449 0 CA-C-O 121.241 0.543 . . . . 1.14 110.228 177.522 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 136' ' ' THR . . . . . 0.498 ' CG2' ' HB2' ' A' ' 129' ' ' MET . 2.6 t -129.05 125.28 36.92 Favored 'General case' 0 C--N 1.306 -1.315 0 CA-C-N 115.273 -0.876 . . . . 0.4 110.126 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 6.5 m -102.98 108.01 19.02 Favored 'General case' 0 N--CA 1.448 -0.571 0 N-CA-C 109.105 -0.702 . . . . 0.79 109.105 178.294 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 138' ' ' ARG . . . . . 0.604 ' HD2' ' CD1' ' A' ' 19' ' ' PHE . 47.5 mtp180 -107.35 125.45 51.21 Favored 'General case' 0 C--N 1.314 -0.977 0 CA-C-O 121.238 0.542 . . . . 1.84 109.955 -176.674 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 58.5 m-85 -97.95 117.85 33.22 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.222 -0.899 . . . . 0.64 111.213 -167.743 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 95.4 m-85 -108.54 136.26 48.44 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.875 -0.602 . . . . 0.6 110.354 177.803 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 141' ' ' LYS . . . . . 0.472 ' HB3' ' CD2' ' A' ' 124' ' ' TYR . 0.0 OUTLIER -123.33 159.53 28.65 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 107.376 -1.342 . . . . 1.92 107.376 173.712 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 142' ' ' LYS . . . . . 0.53 ' O ' ' HG3' ' A' ' 12' ' ' LYS . 12.3 mmmm -50.05 171.89 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.751 0 N-CA-C 114.758 1.392 . . . . 2.13 114.758 -175.061 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . 0.535 ' NE2' ' HB3' ' A' ' 12' ' ' LYS . 12.8 mm-40 . . . . . 0 C--O 1.25 1.088 0 CA-C-N 114.707 -1.133 . . . . 1.46 110.767 160.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' -11' ' ' MET . . . . . . . . . . . . . 13.7 tmm? . . . . . 0 N--CA 1.478 0.947 0 N-CA-C 109.485 -0.561 . . . . 14.47 109.485 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' -10' ' ' ARG . . . . . . . . . . . . . 61.3 ttt180 -162.57 107.74 1.18 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.852 0.358 . . . . 15.82 110.538 179.384 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' -9' ' ' GLY . . . . . . . . . . . . . . . -130.2 53.7 0.8 Allowed Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 120.824 -0.703 . . . . 11.88 111.829 178.546 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' -8' ' ' SER . . . . . . . . . . . . . 11.6 p -70.58 -37.33 73.92 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.932 0.396 . . . . 11.68 111.219 -176.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' -7' ' ' HIS . . . . . . . . . . . . . 21.1 m-70 -75.2 110.48 9.57 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.073 -0.512 . . . . 11.79 110.635 -178.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' -6' ' ' HIS . . . . . . . . . . . . . 33.5 m170 64.97 75.03 0.38 Allowed 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 115.898 -0.592 . . . . 10.98 111.139 179.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' -5' ' ' HIS . . . . . . . . . . . . . 38.6 p-80 -113.12 50.35 0.89 Allowed 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.192 0.52 . . . . 9.31 110.683 179.205 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' -4' ' ' HIS . . . . . . . . . . . . . 91.9 m-70 -84.22 -32.67 24.39 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.229 -0.441 . . . . 10.54 110.212 178.739 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' -3' ' ' HIS . . . . . . . . . . . . . 53.3 m80 -72.65 -46.66 52.83 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.018 -0.734 . . . . 8.73 109.018 174.621 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 52.0 t-80 -98.33 54.69 1.09 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.385 -0.825 . . . . 7.06 109.549 176.38 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -72.7 -60.75 3.83 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.421 -0.895 . . . . 3.5 111.194 176.681 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 50.8 m -151.87 113.72 4.43 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.927 -0.398 . . . . 3.11 109.927 174.223 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.504 ' O ' HD21 ' A' ' 74' ' ' LEU . 2.7 mmmp? -87.57 136.11 33.08 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 109.52 -0.548 . . . . 2.99 109.52 174.547 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.54 127.71 39.33 Favored 'General case' 0 C--N 1.312 -1.024 0 CA-C-N 116.438 -0.346 . . . . 0.99 110.209 -178.47 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.616 ' HB2' ' CE1' ' A' ' 56' ' ' TYR . 5.0 mt -51.49 127.91 32.42 Favored Pre-proline 0 N--CA 1.465 0.282 0 CA-C-N 115.74 -0.663 . . . . 0.59 111.747 -179.062 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.579 ' HD2' HD23 ' A' ' 3' ' ' LEU . 23.7 Cg_endo -66.32 134.51 36.46 Favored 'Trans proline' 0 N--CA 1.454 -0.819 0 C-N-CA 121.877 1.718 . . . . 0.61 110.216 173.04 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.532 ' HA ' HD12 ' A' ' 8' ' ' LEU . 8.1 p-10 -55.71 -17.58 6.23 Favored 'General case' 0 N--CA 1.466 0.332 0 N-CA-C 112.728 0.64 . . . . 2.19 112.728 -173.025 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.521 ' HB3' ' HG3' ' A' ' 120' ' ' ARG . 60.1 mttp -55.49 -31.52 62.08 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 112.159 0.429 . . . . 2.53 112.159 175.65 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.492 ' CE1' ' HG2' ' A' ' 120' ' ' ARG . 47.4 m-85 -96.27 1.75 52.32 Favored 'General case' 0 C--O 1.226 -0.178 0 O-C-N 122.038 -0.414 . . . . 0.6 111.356 -176.584 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.532 HD12 ' HA ' ' A' ' 5' ' ' ASP . 88.5 mt -101.1 150.26 23.11 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.276 0.56 . . . . 0.46 111.568 -172.24 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 115.05 -173.83 14.98 Favored Glycine 0 N--CA 1.444 -0.818 0 CA-C-N 115.334 -0.848 . . . . 0.52 111.662 -177.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.491 HG23 ' HG2' ' A' ' 44' ' ' LYS . 30.8 m -105.8 122.48 46.17 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-O 120.793 0.33 . . . . 1.05 110.533 178.649 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.466 ' HA ' ' HA ' ' A' ' 142' ' ' LYS . 33.9 m-85 -113.45 129.78 56.47 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.125 -0.488 . . . . 0.47 110.538 -178.653 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.504 ' HD3' ' O ' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -100.85 134.97 43.03 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 119.578 -0.849 . . . . 2.19 110.804 172.375 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 61.4 tp -55.65 125.69 22.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.519 -0.764 . . . . 1.14 111.831 178.562 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -92.91 -55.59 3.3 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.013 -0.736 . . . . 2.08 109.013 174.741 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 18.4 ptt180 -158.09 -178.47 7.32 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.135 -0.484 . . . . 3.36 110.754 -176.467 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -156.43 167.76 29.43 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.015 -0.539 . . . . 1.19 109.795 176.61 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 17.9 tp10 -144.76 130.63 19.22 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.709 -0.223 . . . . 2.66 111.216 -174.367 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 40.1 t30 69.13 26.94 5.4 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-O 121.65 0.738 . . . . 0.76 110.779 176.512 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.509 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 8.9 t80 -72.56 -40.51 66.62 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.256 -0.884 . . . . 0.49 111.181 -173.614 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.452 ' OD2' ' HD2' ' A' ' 33' ' ' ARG . 34.0 t70 -58.55 -50.86 72.24 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 120.675 0.274 . . . . 2.04 111.104 178.484 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 41.6 mm-40 -55.37 -42.81 74.46 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 116.203 -0.453 . . . . 1.79 111.277 178.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 77.6 t80 -59.12 -39.05 81.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.756 0.312 . . . . 0.57 110.831 176.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.509 ' HG ' ' O ' ' A' ' 19' ' ' PHE . 73.1 mt -68.15 -39.51 82.61 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.444 -0.344 . . . . 0.37 110.697 -178.094 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 54.0 mtpt -62.55 -49.6 74.63 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.045 -0.525 . . . . 1.88 109.724 177.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.96 -40.59 80.94 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.283 -0.872 . . . . 0.44 111.095 177.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.403 HH11 ' HD2' ' A' ' 26' ' ' ARG . 12.1 mmm180 -70.25 -12.15 61.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.96 -0.564 . . . . 1.29 111.807 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 94.47 22.07 25.22 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.478 -0.867 . . . . 0.62 112.954 177.174 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.514 ' OH ' H151 ' A' 1001 ' ' OLA . 75.2 m-85 -92.83 125.24 37.34 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.78 -0.452 . . . . 0.64 109.78 177.1 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -78.21 179.68 51.49 Favored Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.941 -0.647 . . . . 1.54 112.418 -179.587 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.433 ' O ' ' HG2' ' A' ' 34' ' ' GLN . 80.8 t90 -49.75 -49.66 47.32 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 123.019 0.527 . . . . 1.18 111.7 -178.33 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 1.3 mm -53.7 -53.15 27.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.708 0.29 . . . . 2.16 111.723 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.554 ' O ' HG13 ' A' ' 36' ' ' ILE . 54.8 mmm -60.69 -41.08 94.41 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.22 -0.445 . . . . 0.97 111.211 178.36 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.452 ' HD2' ' OD2' ' A' ' 20' ' ' ASP . 52.6 mtm180 -63.56 -29.48 70.73 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.498 -0.319 . . . . 1.87 110.752 179.532 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.525 ' O ' HD23 ' A' ' 38' ' ' LEU . 15.7 mm100 -71.35 -25.48 62.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.921 0.391 . . . . 1.97 110.844 176.269 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.478 HG13 ' HG3' ' A' ' 64' ' ' LYS . 56.5 t -84.89 -66.79 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 121.238 0.542 . . . . 0.68 110.642 175.072 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.554 HG13 ' O ' ' A' ' 32' ' ' MET . 28.4 mt -49.96 -43.4 20.15 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.494 0 CA-C-N 114.797 -1.092 . . . . 0.51 113.814 -174.049 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 54.2 mtmt -72.89 -22.57 60.73 Favored 'General case' 0 N--CA 1.47 0.538 0 N-CA-C 112.106 0.41 . . . . 0.97 112.106 -175.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.525 HD23 ' O ' ' A' ' 34' ' ' GLN . 3.8 mm? -100.84 3.76 42.24 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.1 0.476 . . . . 2.08 110.727 -175.549 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -85.55 109.48 18.55 Favored 'General case' 0 N--CA 1.445 -0.689 0 CA-C-N 115.741 -0.663 . . . . 1.03 110.856 -179.589 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.5 ' O ' ' HA ' ' A' ' 62' ' ' THR . . . -70.53 146.54 42.34 Favored Glycine 0 N--CA 1.447 -0.605 0 N-CA-C 110.225 -1.15 . . . . 0.84 110.225 173.882 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 45.6 t -131.65 133.64 61.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 117.403 0.602 . . . . 1.3 112.153 -170.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 8.1 m -120.69 122.7 41.02 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.603 -0.726 . . . . 0.45 110.025 175.415 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.477 ' HZ1' ' C1 ' ' A' 1001 ' ' OLA . 44.3 mmtm -93.88 137.73 32.79 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.315 -0.402 . . . . 0.79 110.519 -179.551 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.604 ' O ' ' HA ' ' A' ' 58' ' ' MET . 99.3 mttt -133.82 111.08 10.22 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.883 0.373 . . . . 1.96 110.893 177.344 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.523 ' CE2' ' HG3' ' A' ' 58' ' ' MET . 41.9 m-85 -115.03 134.31 55.29 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.769 -0.651 . . . . 0.54 109.415 175.738 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.429 ' CG ' ' HB2' ' A' ' 57' ' ' ASP . 23.1 ptt180 -154.91 160.66 41.32 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 110.634 -0.136 . . . . 3.17 110.634 -179.153 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 46.6 m-80 -61.96 135.09 57.41 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 108.721 -0.844 . . . . 1.85 108.721 171.647 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 1.071 ' HB3' ' HD2' ' A' ' 55' ' ' ARG . . . -71.32 125.12 26.15 Favored 'General case' 0 CA--C 1.516 -0.341 0 CA-C-O 121.432 0.634 . . . . 0.87 112.039 -172.055 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -68.14 -6.72 24.64 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 114.684 -1.143 . . . . 1.48 112.275 179.425 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 63.6 p -44.17 -26.58 0.32 Allowed 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 115.714 -0.676 . . . . 2.37 111.878 173.177 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 97.3 3.17 58.82 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.916 -0.659 . . . . 1.91 112.138 177.08 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.531 ' HB2' ' HG2' ' A' ' 55' ' ' ARG . 53.4 mtmt -95.08 174.9 3.17 Favored Pre-proline 0 C--N 1.319 -0.744 0 N-CA-C 109.206 -0.665 . . . . 3.17 109.206 178.356 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -99.68 157.68 0.56 Allowed 'Trans proline' 0 N--CA 1.456 -0.713 0 C-N-CA 122.885 2.39 . . . . 1.84 112.501 171.519 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 29.8 m-20 79.28 -38.17 0.19 Allowed 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.938 0.895 . . . . 2.44 112.636 173.361 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 1.071 ' HD2' ' HB3' ' A' ' 48' ' ' ALA . 0.0 OUTLIER -56.81 155.79 7.37 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 113.822 1.045 . . . . 4.1 113.822 175.58 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.616 ' CE1' ' HB2' ' A' ' 3' ' ' LEU . 70.9 m-85 -142.63 154.32 44.26 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.755 -0.657 . . . . 0.97 110.718 175.424 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.571 ' OD1' ' HA ' ' A' ' 48' ' ' ALA . 41.8 m-20 -102.62 146.93 27.45 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.958 -0.756 . . . . 1.1 108.958 173.511 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.604 ' HA ' ' O ' ' A' ' 44' ' ' LYS . 1.9 tmt? -149.67 121.29 8.02 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.835 0.35 . . . . 0.98 110.57 177.194 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -119.55 151.21 39.0 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 121.502 0.668 . . . . 1.11 111.277 175.53 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -118.77 89.86 3.21 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 114.672 -1.149 . . . . 1.17 108.977 -177.64 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 60.5 tp -86.24 124.3 32.46 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 110.077 -0.342 . . . . 1.67 110.077 -178.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.5 ' HA ' ' O ' ' A' ' 40' ' ' GLY . 21.7 p -126.71 -166.29 1.57 Allowed 'General case' 0 N--CA 1.435 -1.19 0 N-CA-C 108.643 -0.873 . . . . 0.45 108.643 179.231 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 82.4 p -88.0 -37.94 15.92 Favored 'General case' 0 C--N 1.312 -1.053 0 CA-C-O 121.034 0.445 . . . . 0.54 111.255 -177.725 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.478 ' HG3' HG13 ' A' ' 35' ' ' VAL . 35.5 mmtp -106.54 -17.53 14.23 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.048 -0.523 . . . . 2.24 111.236 -175.546 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 27.5 mmmt -125.1 -160.74 0.97 Allowed 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.374 -0.375 . . . . 1.82 110.967 -177.498 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 164.63 118.61 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 114.817 -1.083 . . . . 2.12 108.914 -169.035 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 76.4 p -135.64 151.65 50.44 Favored 'General case' 0 C--N 1.314 -0.954 0 CA-C-N 115.478 -0.783 . . . . 0.56 108.894 179.48 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.416 ' O ' ' HE2' ' A' ' 70' ' ' LYS . 21.1 t-160 -146.49 94.09 2.39 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 120.936 0.398 . . . . 1.95 110.899 -172.112 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 21.0 m-70 -76.59 87.5 3.28 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.982 -0.553 . . . . 0.39 110.072 179.239 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.416 ' HE2' ' O ' ' A' ' 68' ' ' HIS . 13.2 mtmt -69.97 114.23 7.94 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.365 -0.379 . . . . 2.3 111.957 176.62 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 32.5 t70 61.12 83.78 0.14 Allowed 'General case' 0 C--N 1.329 -0.316 0 O-C-N 123.903 0.752 . . . . 2.07 112.204 169.671 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' TRP . . . . . 0.475 ' HE1' ' CB ' ' A' ' 58' ' ' MET . 69.2 p-90 -128.69 159.85 34.34 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.396 -0.365 . . . . 0.43 110.567 176.055 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.586 ' O ' ' HB3' ' A' ' 76' ' ' GLU . . . -125.09 150.86 46.4 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.107 -0.497 . . . . 0.55 109.743 172.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.638 HD13 ' H ' ' A' ' 74' ' ' LEU . 0.0 OUTLIER -65.72 145.74 55.64 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 120.0 -0.68 . . . . 1.71 110.023 172.446 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 79.32 -1.61 75.35 Favored Glycine 0 N--CA 1.445 -0.702 0 CA-C-N 115.407 -0.815 . . . . 0.59 112.024 -171.473 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.586 ' HB3' ' O ' ' A' ' 73' ' ' ALA . 38.7 tt0 -101.1 148.16 25.39 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 121.272 0.558 . . . . 2.37 111.31 -176.251 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -122.71 119.73 31.55 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 114.947 -1.024 . . . . 1.4 109.316 -179.158 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 42.3 p90 -137.9 162.83 33.0 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.552 -0.294 . . . . 0.57 110.582 -175.359 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -94.76 141.31 28.77 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.492 -0.322 . . . . 1.95 110.149 176.039 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 46.0 t0 -172.72 172.82 4.06 Favored 'General case' 0 N--CA 1.466 0.334 0 N-CA-C 109.578 -0.527 . . . . 1.26 109.578 -177.082 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.511 ' HA ' ' O ' ' A' ' 86' ' ' THR . 38.0 tt0 -97.73 122.09 40.42 Favored 'General case' 0 CA--C 1.508 -0.64 0 CA-C-O 121.24 0.543 . . . . 2.13 109.883 179.662 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.503 ' HB3' ' HE2' ' A' ' 88' ' ' HIS . . . -92.88 -178.66 4.89 Favored 'General case' 0 C--N 1.311 -1.08 0 CA-C-N 114.946 -1.024 . . . . 0.95 111.793 178.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.426 HD22 ' H ' ' A' ' 83' ' ' LEU . 3.3 mm? -57.35 -25.2 59.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.067 0.461 . . . . 1.34 110.635 -179.723 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.422 ' OD1' ' HB3' ' A' ' 82' ' ' ALA . 3.8 p30 -79.63 8.05 7.25 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.665 -0.698 . . . . 1.55 111.496 -178.548 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 50.2 m 75.71 -9.34 1.44 Allowed 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 114.928 1.455 . . . . 1.21 114.928 168.585 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.54 ' OG1' ' HD2' ' A' ' 88' ' ' HIS . 67.9 p -95.45 163.95 13.02 Favored 'General case' 0 C--O 1.241 0.634 0 CA-C-N 119.568 1.077 . . . . 0.93 111.332 177.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -103.9 93.52 4.92 Favored 'General case' 0 CA--C 1.511 -0.534 0 N-CA-C 107.502 -1.295 . . . . 1.88 107.502 -175.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . 0.592 ' CE1' ' HB3' ' A' ' 104' ' ' HIS . 11.2 p80 -130.77 178.78 6.39 Favored 'General case' 0 C--N 1.315 -0.93 0 C-N-CA 120.243 -0.583 . . . . 1.04 111.887 -167.197 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 26.7 ttpp -73.24 132.95 43.77 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 114.993 -1.003 . . . . 1.49 109.712 -178.562 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 62.1 mt -135.89 144.3 33.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.909 0 CA-C-N 116.164 -0.471 . . . . 0.54 109.996 -176.542 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 22.5 m -137.54 134.04 35.2 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.267 0.556 . . . . 0.43 111.505 -178.737 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.531 ' HA ' ' O ' ' A' ' 101' ' ' THR . 27.1 m-85 -110.73 150.21 29.39 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.272 -0.876 . . . . 0.6 108.672 175.389 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -159.34 133.36 7.53 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 120.967 0.413 . . . . 1.69 111.753 179.015 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -83.92 101.1 11.45 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 108.405 -0.961 . . . . 1.12 108.405 172.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.628 ' HE3' HG21 ' A' ' 99' ' ' THR . 16.4 pttp -86.91 -40.63 14.66 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.324 -0.621 . . . . 3.03 109.324 -171.853 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.512 ' OD1' ' HG3' ' A' ' 95' ' ' LYS . 9.9 m-20 -131.27 159.74 70.27 Favored Pre-proline 0 C--N 1.324 -0.502 0 N-CA-C 107.34 -1.355 . . . . 1.79 107.34 172.555 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 11.0 Cg_exo -71.57 14.41 0.4 Allowed 'Trans proline' 0 C--O 1.233 0.258 0 C-N-CA 122.972 2.448 . . . . 0.98 112.693 -173.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 9.3 p30 -145.05 16.12 1.54 Allowed 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.853 -0.612 . . . . 2.32 110.373 176.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.628 HG21 ' HE3' ' A' ' 95' ' ' LYS . 32.5 m -152.06 115.08 4.67 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-O 121.38 0.61 . . . . 0.56 112.328 -179.653 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.552 ' HB3' ' HB2' ' A' ' 118' ' ' TYR . 20.3 tp -98.25 149.0 23.04 Favored 'General case' 0 C--O 1.22 -0.45 0 CA-C-N 114.925 -1.034 . . . . 1.1 109.47 175.044 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.531 ' O ' ' HA ' ' A' ' 92' ' ' PHE . 19.5 p -117.17 137.19 52.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 121.627 -0.67 . . . . 0.41 112.268 -179.4 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.519 ' O ' ' HA ' ' A' ' 115' ' ' THR . 2.5 tp10 -116.28 113.5 23.08 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.42 -0.809 . . . . 1.31 109.353 173.781 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 57.2 m -118.87 120.26 36.8 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.12 0.486 . . . . 0.51 111.037 -177.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . 0.592 ' HB3' ' CE1' ' A' ' 88' ' ' HIS . 24.9 m170 -99.11 120.09 38.91 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.929 -0.578 . . . . 1.69 110.42 -179.68 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.553 ' O ' ' HB2' ' A' ' 88' ' ' HIS . 11.1 mt -117.11 111.58 35.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 121.263 0.554 . . . . 0.75 110.695 175.031 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.529 ' HA ' ' CB ' ' A' ' 88' ' ' HIS . 96.7 mttt -69.21 137.83 53.53 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-N 115.2 -0.909 . . . . 1.61 112.389 -176.858 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.528 ' CG2' ' HA ' ' A' ' 88' ' ' HIS . 2.3 t -62.46 -37.3 78.43 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.502 0 CA-C-N 114.371 -1.286 . . . . 1.32 110.396 177.259 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 42.0 m-20 -78.14 -50.15 12.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.482 -0.781 . . . . 2.5 110.371 -176.003 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.421 ' O ' ' HB2' ' A' ' 106' ' ' LYS . 14.1 t70 -134.02 95.38 17.08 Favored Pre-proline 0 C--N 1.326 -0.426 0 CA-C-O 121.308 0.575 . . . . 2.39 110.008 179.486 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 68.6 Cg_endo -73.72 1.84 6.53 Favored 'Trans proline' 0 C--N 1.33 -0.399 0 C-N-CA 123.379 2.719 . . . . 0.9 113.478 -177.741 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 33.9 p -97.07 -18.79 19.14 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 120.711 -0.396 . . . . 1.47 110.994 179.419 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -90.94 49.99 1.73 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.733 0.778 . . . . 1.59 109.679 176.093 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.467 HG12 HG12 ' A' ' 105' ' ' ILE . 13.5 m -67.74 171.94 0.81 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.532 0 CA-C-N 114.926 -1.034 . . . . 1.6 111.968 178.639 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -155.75 133.09 10.89 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-N 115.258 -0.883 . . . . 2.78 109.663 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . 0.519 ' HA ' ' O ' ' A' ' 102' ' ' GLU . 85.2 m -130.77 128.49 40.87 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.347 0.594 . . . . 0.53 112.211 -174.153 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -107.03 157.41 17.84 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.383 -1.34 . . . . 0.96 107.383 172.346 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . 0.489 ' HG2' HG22 ' A' ' 101' ' ' THR . 46.5 mt-10 -131.61 122.85 26.72 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.041 -0.726 . . . . 1.27 109.041 177.814 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . 0.552 ' HB2' ' HB3' ' A' ' 100' ' ' LEU . 90.9 m-85 -92.19 94.92 9.44 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.277 -0.419 . . . . 0.6 110.079 -177.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 50.3 ttt180 -101.86 153.03 20.21 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.994 -0.548 . . . . 3.41 109.923 177.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . 0.521 ' HG3' ' HB3' ' A' ' 6' ' ' LYS . 6.1 mmm180 -106.07 135.74 46.99 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.729 -0.471 . . . . 1.96 109.729 172.728 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -148.65 110.96 4.67 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.662 -0.496 . . . . 1.08 109.662 175.505 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 71.3 -133.22 21.74 Favored Glycine 0 N--CA 1.445 -0.706 0 N-CA-C 110.85 -0.9 . . . . 0.92 110.85 -174.569 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -103.78 28.78 6.31 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.266 0.555 . . . . 2.31 109.84 175.637 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 86.9 m-85 -126.33 143.56 51.12 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 115.662 -0.699 . . . . 0.67 110.62 -178.433 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 40.4 tp -84.75 121.58 27.88 Favored 'General case' 0 N--CA 1.443 -0.796 0 N-CA-C 107.802 -1.185 . . . . 1.03 107.802 168.043 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 58.8 t -114.81 114.78 47.53 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.143 0 CA-C-O 121.244 0.545 . . . . 0.47 109.547 -174.686 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' MET . . . . . 0.493 ' O ' ' HA ' ' A' ' 137' ' ' SER . 31.1 ttm -91.56 136.28 33.25 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-N 115.512 -0.767 . . . . 1.08 110.369 -178.564 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 15.9 tppt? -117.56 121.42 40.91 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 108.834 -0.802 . . . . 2.2 108.834 176.256 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' MET . . . . . 0.54 ' HB2' ' CG2' ' A' ' 136' ' ' THR . 23.5 mtp -122.68 122.82 39.69 Favored 'General case' 0 C--N 1.316 -0.88 0 N-CA-C 108.155 -1.054 . . . . 1.11 108.155 178.434 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . 0.581 ' HA ' ' O ' ' A' ' 134' ' ' VAL . 13.5 p -129.24 129.67 45.27 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.408 0.623 . . . . 1.06 112.01 -175.839 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' TRP . . . . . 0.513 ' CD1' ' HG2' ' A' ' 132' ' ' LYS . 34.7 t-105 -148.76 131.48 15.97 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 114.976 -1.011 . . . . 0.76 109.368 177.661 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . 0.513 ' HG2' ' CD1' ' A' ' 131' ' ' TRP . 75.5 mmtt 56.43 32.59 20.94 Favored 'General case' 0 C--N 1.327 -0.374 0 O-C-N 123.444 0.465 . . . . 1.96 111.146 -177.328 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 85.61 -13.2 56.88 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 121.095 -0.574 . . . . 0.53 112.758 -179.027 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . 0.581 ' O ' ' HA ' ' A' ' 130' ' ' SER . 13.1 t -80.41 109.23 14.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.541 0.17 . . . . 0.43 110.659 -177.742 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -98.13 133.29 42.78 Favored 'General case' 0 N--CA 1.444 -0.759 0 CA-C-O 121.088 0.47 . . . . 1.14 110.696 174.028 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . 0.54 ' CG2' ' HB2' ' A' ' 129' ' ' MET . 5.2 t -121.45 134.99 55.09 Favored 'General case' 0 C--N 1.312 -1.047 0 CA-C-N 115.478 -0.783 . . . . 0.4 109.31 173.783 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . 0.493 ' HA ' ' O ' ' A' ' 127' ' ' MET . 4.0 m -113.18 113.34 25.21 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.133 -0.485 . . . . 0.79 110.179 -177.845 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 38.1 mtp180 -98.97 122.76 42.66 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.464 -0.569 . . . . 1.84 109.464 178.038 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 92.6 m-85 -97.39 111.83 23.92 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.983 -0.553 . . . . 0.64 110.763 -174.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 81.7 m-85 -107.61 132.48 53.25 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.582 -0.735 . . . . 0.6 110.351 179.645 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 15.2 ptpt -104.87 168.82 8.81 Favored 'General case' 0 C--N 1.313 -0.983 0 N-CA-C 107.472 -1.307 . . . . 1.92 107.472 172.66 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . 0.47 ' O ' ' HG3' ' A' ' 12' ' ' LYS . 14.6 mmmm -59.62 178.78 0.14 Allowed 'General case' 0 C--N 1.317 -0.847 0 CA-C-O 121.884 0.85 . . . . 2.13 111.674 171.823 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . 0.567 ' HA ' HE21 ' A' ' 143' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.031 0 CA-C-N 115.377 -0.828 . . . . 1.46 109.551 159.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1001 ' ' OLA . . . . . 0.545 H183 HG21 ' A' ' 36' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' -11' ' ' MET . . . . . . . . . . . . . 88.7 mtp . . . . . 0 N--CA 1.482 1.154 0 CA-C-O 120.849 0.357 . . . . 14.47 110.566 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' -10' ' ' ARG . . . . . . . . . . . . . 16.5 ptm180 -84.56 153.94 22.93 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.142 -0.481 . . . . 15.82 110.522 -179.742 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' -9' ' ' GLY . . . . . . . . . . . . . . . 139.95 33.43 0.15 Allowed Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 120.806 -0.712 . . . . 11.88 111.944 179.113 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' -8' ' ' SER . . . . . . . . . . . . . 49.8 m 56.15 45.66 22.94 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-O 121.4 0.619 . . . . 11.68 111.082 -178.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' -7' ' ' HIS . . . . . . . . . . . . . 39.1 m80 -80.78 87.27 5.88 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.656 -0.702 . . . . 11.79 110.922 -178.778 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' -6' ' ' HIS . . . . . . . . . . . . . 8.9 p-80 -144.0 76.47 1.51 Allowed 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.449 0.642 . . . . 10.98 110.933 177.185 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' -5' ' ' HIS . . . . . . . . . . . . . 24.2 m170 64.69 71.76 0.46 Allowed 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 115.234 -0.894 . . . . 9.31 111.598 175.004 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' -4' ' ' HIS . . . . . . . . . . . . . 7.5 m-70 -102.98 -56.87 2.14 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.936 -0.575 . . . . 10.54 110.518 174.472 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' -3' ' ' HIS . . . . . . . . . . . . . 34.5 m80 -108.08 15.12 24.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.115 -0.493 . . . . 8.73 110.594 178.244 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 18.4 t-80 -137.11 84.32 2.05 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.296 0.569 . . . . 7.06 110.254 -179.224 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -103.66 -29.65 5.52 Favored Glycine 0 N--CA 1.448 -0.534 0 CA-C-N 115.742 -0.663 . . . . 3.5 112.3 -179.615 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 39.0 m -101.88 125.34 48.53 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-O 120.951 0.405 . . . . 3.11 111.607 -177.382 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.51 ' HD2' ' HB2' ' A' ' 94' ' ' LEU . 66.1 mttm -71.87 156.82 38.86 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 108.29 -1.004 . . . . 2.99 108.29 166.45 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -99.33 128.68 45.48 Favored 'General case' 0 C--N 1.31 -1.119 0 C-N-CA 120.652 -0.419 . . . . 0.99 110.019 177.793 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.552 ' HB2' ' CZ ' ' A' ' 56' ' ' TYR . 6.2 mt -59.21 126.06 80.61 Favored Pre-proline 0 C--N 1.327 -0.39 0 CA-C-N 115.898 -0.592 . . . . 0.59 111.872 -177.311 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -58.66 126.94 22.74 Favored 'Trans proline' 0 N--CA 1.456 -0.678 0 C-N-CA 122.468 2.112 . . . . 0.61 110.678 171.004 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.499 ' HA ' HD12 ' A' ' 8' ' ' LEU . 10.8 t70 -48.02 -29.41 3.47 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 115.454 -0.793 . . . . 2.19 111.991 178.57 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.512 ' O ' ' HD3' ' A' ' 120' ' ' ARG . 60.1 mttp -64.65 -17.91 64.47 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 113.018 0.747 . . . . 2.53 113.018 179.004 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -98.51 -0.8 42.63 Favored 'General case' 0 C--N 1.327 -0.397 0 O-C-N 121.51 -0.744 . . . . 0.6 110.22 177.701 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.52 HD23 ' HB3' ' A' ' 45' ' ' PHE . 88.1 mt -102.03 142.92 32.56 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.13 0.491 . . . . 0.46 111.603 -172.662 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 133.96 176.54 14.43 Favored Glycine 0 N--CA 1.446 -0.64 0 CA-C-N 115.428 -0.806 . . . . 0.52 112.051 -178.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.549 HG23 ' HG2' ' A' ' 44' ' ' LYS . 31.0 m -108.03 125.26 51.34 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.685 -0.487 . . . . 1.05 109.685 176.27 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 69.1 m-85 -116.22 132.71 56.59 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 112.797 0.665 . . . . 0.47 112.797 -171.337 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.514 ' HG3' ' HA ' ' A' ' 143' ' ' GLN . 48.2 mttp -70.54 -171.1 0.46 Allowed 'General case' 0 C--N 1.345 0.407 0 CA-C-O 121.222 0.534 . . . . 2.19 111.001 163.362 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.473 HD12 ' HB ' ' A' ' 41' ' ' VAL . 2.4 tt -137.83 111.81 8.4 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.574 -0.528 . . . . 1.14 109.574 -177.543 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -82.01 -51.99 7.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.521 0.201 . . . . 2.08 111.266 -179.418 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.426 HH11 ' HD2' ' A' ' 15' ' ' ARG . 17.6 ptt180 -161.16 179.6 8.25 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.915 0.388 . . . . 3.36 111.341 -174.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.433 ' HA ' ' HA ' ' A' ' 138' ' ' ARG . 3.5 p30 -146.53 164.33 32.92 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.791 -0.64 . . . . 1.19 109.964 178.685 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -142.53 130.11 21.37 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.68 -0.236 . . . . 2.66 110.943 -177.635 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.3 t30 62.63 21.84 12.95 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 115.762 -0.654 . . . . 0.76 111.446 173.482 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 32.6 t80 -76.99 -40.63 46.06 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.669 -0.696 . . . . 0.49 110.575 -174.68 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -59.48 -44.59 93.0 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.123 -0.49 . . . . 2.04 110.171 176.765 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.539 ' HA ' ' HE2' ' A' ' 24' ' ' LYS . 51.0 mm-40 -53.22 -43.87 67.6 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 115.776 -0.647 . . . . 1.79 110.638 175.056 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 89.8 t80 -60.66 -36.88 79.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.917 -0.583 . . . . 0.57 111.312 178.677 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 61.7 mt -65.47 -39.0 91.45 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.811 0.339 . . . . 0.37 110.761 -177.266 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.539 ' HE2' ' HA ' ' A' ' 21' ' ' GLU . 53.8 mtmt -65.46 -43.05 91.54 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.196 0.522 . . . . 1.88 109.954 177.114 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.42 ' HB2' HG21 ' A' ' 134' ' ' VAL . . . -58.22 -42.01 85.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.384 -0.825 . . . . 0.44 111.448 178.014 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 16.1 mmm180 -75.41 -6.75 51.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.12 -0.491 . . . . 1.29 111.719 -179.315 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 87.25 20.95 51.04 Favored Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 120.636 -0.793 . . . . 0.62 112.703 175.479 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 58.7 m-85 -77.37 127.32 32.37 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.876 -0.416 . . . . 0.64 109.876 176.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -73.8 177.06 45.15 Favored Glycine 0 N--CA 1.444 -0.821 0 C-N-CA 120.858 -0.686 . . . . 1.54 111.894 -179.588 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 73.8 t90 -50.65 -43.6 57.27 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.206 0.447 . . . . 1.18 112.206 -175.628 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.713 ' H ' HD12 ' A' ' 31' ' ' ILE . 3.0 mp -57.02 -57.4 10.02 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.798 0 CA-C-O 121.479 0.656 . . . . 2.16 110.049 -175.346 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.407 ' O ' HG13 ' A' ' 36' ' ' ILE . 70.7 mmm -67.3 -27.8 67.47 Favored 'General case' 0 N--CA 1.429 -1.491 0 CA-C-N 114.867 -1.06 . . . . 0.97 110.388 -176.568 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.569 ' O ' ' HD2' ' A' ' 37' ' ' LYS . 33.8 ttp180 -78.4 6.7 7.85 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.303 -0.862 . . . . 1.87 110.46 -179.03 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 25.0 mm-40 -115.57 -21.85 9.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.841 -0.618 . . . . 1.97 110.192 171.69 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 98.2 t -90.24 -60.91 2.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 121.094 0.473 . . . . 0.68 111.382 -178.118 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.536 ' HA ' ' H9 ' ' A' 1001 ' ' OLA . 44.0 mt -47.83 -40.62 8.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 C-N-CA 124.018 0.927 . . . . 0.51 113.387 -178.347 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.569 ' HD2' ' O ' ' A' ' 33' ' ' ARG . 0.1 OUTLIER -97.83 23.77 7.6 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.885 0.374 . . . . 0.97 111.652 -178.821 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.456 ' C ' HD13 ' A' ' 38' ' ' LEU . 0.6 OUTLIER -122.68 -44.88 2.2 Favored 'General case' 0 N--CA 1.445 -0.702 0 N-CA-C 108.835 -0.802 . . . . 2.08 108.835 177.156 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -52.13 128.68 25.5 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 115.803 -0.635 . . . . 1.03 111.815 177.048 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.543 ' O ' ' HA ' ' A' ' 62' ' ' THR . . . -75.56 149.67 38.83 Favored Glycine 0 N--CA 1.444 -0.779 0 N-CA-C 110.873 -0.891 . . . . 0.84 110.873 173.646 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.473 ' HB ' HD12 ' A' ' 13' ' ' LEU . 12.2 t -125.72 131.74 71.62 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-O 121.013 0.435 . . . . 1.3 111.251 -174.125 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.419 HG23 HE21 ' A' ' 143' ' ' GLN . 49.1 m -111.46 111.33 22.28 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.593 -0.73 . . . . 0.45 110.026 173.145 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 38.0 mmtm -85.5 134.88 34.02 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.592 -0.276 . . . . 0.79 110.258 178.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.549 ' HG2' HG23 ' A' ' 10' ' ' THR . 98.5 mttt -130.4 118.55 21.37 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.627 0.251 . . . . 1.96 110.583 178.225 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.52 ' HB3' HD23 ' A' ' 8' ' ' LEU . 86.9 m-85 -122.94 126.54 47.43 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 109.347 -0.612 . . . . 0.54 109.347 173.623 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.471 ' HG3' ' HB3' ' A' ' 57' ' ' ASP . 2.8 ptm180 -156.13 166.14 34.35 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 120.895 0.379 . . . . 3.17 110.96 -175.208 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.404 ' HA ' ' CD2' ' A' ' 56' ' ' TYR . 19.0 m120 -62.64 154.7 28.34 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 108.987 -0.745 . . . . 1.85 108.987 172.354 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.452 ' HB1' ' OD1' ' A' ' 71' ' ' ASP . . . -58.01 141.36 50.02 Favored 'General case' 0 CA--C 1.518 -0.28 0 CA-C-O 121.372 0.606 . . . . 0.87 110.905 -177.041 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.4 -35.62 81.5 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 114.92 -1.036 . . . . 1.48 111.7 -171.524 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 42.1 p -75.56 9.23 2.33 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.138 0.421 . . . . 2.37 112.138 176.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 63.33 29.87 75.82 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 121.004 -0.617 . . . . 1.91 112.531 -179.063 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 6.1 tmtt? -84.96 114.39 55.48 Favored Pre-proline 0 C--N 1.322 -0.594 0 N-CA-C 110.026 -0.361 . . . . 3.17 110.026 -177.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.457 ' O ' ' HB2' ' A' ' 54' ' ' ASP . 88.3 Cg_exo -51.69 140.8 45.64 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 123.122 2.548 . . . . 1.84 113.228 179.284 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.457 ' HB2' ' O ' ' A' ' 53' ' ' PRO . 29.9 m-20 82.3 -48.92 0.2 Allowed 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 114.769 -1.105 . . . . 2.44 110.436 177.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 55.3 mtp180 -66.71 145.44 55.54 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.313 0.578 . . . . 4.1 111.653 175.318 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.552 ' CZ ' ' HB2' ' A' ' 3' ' ' LEU . 76.5 m-85 -124.74 -178.86 4.29 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.6 -0.727 . . . . 0.97 110.252 178.574 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.648 ' OD2' ' HA ' ' A' ' 70' ' ' LYS . 14.1 t70 -136.87 136.87 39.08 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 108.511 -0.922 . . . . 1.1 108.511 177.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.423 ' N ' ' HE1' ' A' ' 72' ' ' TRP . 1.5 tmt? -140.12 140.4 36.01 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 110.024 -0.361 . . . . 0.98 110.024 -174.808 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.504 ' HG3' ' O ' ' A' ' 67' ' ' THR . 41.2 tt0 -142.08 147.37 36.67 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.092 0.472 . . . . 1.11 111.79 -173.335 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.607 ' HB2' ' OG1' ' A' ' 67' ' ' THR . 48.3 m-80 -127.64 106.8 9.4 Favored 'General case' 0 CA--C 1.516 -0.342 0 CA-C-N 115.659 -0.7 . . . . 1.17 109.328 175.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 65.4 tp -103.76 127.5 51.23 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 109.955 -0.387 . . . . 1.67 109.955 177.193 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.543 ' HA ' ' O ' ' A' ' 40' ' ' GLY . 71.1 p -128.32 -177.85 4.32 Favored 'General case' 0 N--CA 1.443 -0.776 0 N-CA-C 109.626 -0.509 . . . . 0.45 109.626 -178.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.404 HG23 ' H ' ' A' ' 40' ' ' GLY . 30.4 p -80.83 -30.54 35.74 Favored 'General case' 0 C--N 1.313 -1.0 0 CA-C-O 121.394 0.616 . . . . 0.54 110.461 179.204 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 53.3 tptt -101.73 -22.55 14.38 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.462 -0.79 . . . . 2.24 111.38 -174.414 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.464 ' HD2' ' HA ' ' A' ' 65' ' ' LYS . 8.2 mmmt -139.5 -155.64 0.61 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.099 0.476 . . . . 1.82 112.267 -174.845 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 171.96 130.53 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 114.787 -1.097 . . . . 2.12 108.763 -166.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.607 ' OG1' ' HB2' ' A' ' 60' ' ' ASN . 59.5 p -147.4 143.62 28.09 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 109.366 -0.605 . . . . 0.56 109.366 178.158 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 9.4 t-160 -143.67 99.87 3.49 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.288 0.566 . . . . 1.95 110.203 -177.756 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 21.4 m-70 -78.53 83.47 4.72 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 108.696 -0.853 . . . . 0.39 108.696 176.789 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.648 ' HA ' ' OD2' ' A' ' 57' ' ' ASP . 7.7 ptpp? -75.07 117.78 17.29 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.752 -0.658 . . . . 2.3 112.193 -174.763 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.452 ' OD1' ' HB1' ' A' ' 48' ' ' ALA . 9.9 m-20 52.87 81.52 0.08 Allowed 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 115.263 -0.88 . . . . 2.07 111.95 174.337 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' TRP . . . . . 0.423 ' HE1' ' N ' ' A' ' 58' ' ' MET . 66.0 p-90 -118.31 146.06 44.62 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.944 -0.571 . . . . 0.43 110.117 177.434 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -96.16 143.71 27.04 Favored 'General case' 0 C--N 1.321 -0.66 0 O-C-N 122.286 -0.259 . . . . 0.55 110.816 178.675 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.432 ' HG ' ' O ' ' A' ' 1' ' ' LYS . 0.1 OUTLIER -50.31 114.11 1.04 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.379 -0.373 . . . . 1.71 110.81 171.202 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 91.79 21.75 32.9 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 121.207 -0.52 . . . . 0.59 112.434 -178.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -110.32 125.22 52.93 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.298 0.57 . . . . 2.37 111.217 -176.007 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -90.31 115.68 27.7 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.226 -0.897 . . . . 1.4 109.077 171.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 41.6 p90 -129.02 150.05 50.59 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.261 -0.427 . . . . 0.57 110.659 -175.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -85.34 142.85 29.03 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.577 -0.527 . . . . 1.95 109.577 176.274 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 38.6 t0 -164.97 171.22 14.27 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 109.311 -0.626 . . . . 1.26 109.311 -174.575 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.511 ' HA ' ' O ' ' A' ' 86' ' ' THR . 35.3 tt0 -99.09 111.67 24.01 Favored 'General case' 0 CA--C 1.504 -0.802 0 N-CA-C 108.495 -0.928 . . . . 2.13 108.495 175.024 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.59 ' HB2' HD11 ' A' ' 90' ' ' ILE . . . -90.62 -178.68 5.36 Favored 'General case' 0 C--N 1.308 -1.204 0 CA-C-N 115.249 -0.887 . . . . 0.95 111.839 -176.476 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.543 HD22 ' H ' ' A' ' 83' ' ' LEU . 2.9 mm? -56.16 -30.28 61.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.982 0.42 . . . . 1.34 110.478 -177.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.498 ' OD1' ' HB3' ' A' ' 82' ' ' ALA . 17.7 p-10 -77.71 11.38 2.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.889 -0.596 . . . . 1.55 111.134 -178.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 15.7 m 65.54 15.35 9.99 Favored 'General case' 0 N--CA 1.465 0.302 0 N-CA-C 113.8 1.037 . . . . 1.21 113.8 166.57 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.511 ' O ' ' HA ' ' A' ' 81' ' ' GLU . 12.4 p -113.48 166.31 11.62 Favored 'General case' 0 C--N 1.319 -0.756 0 C-N-CA 120.737 -0.385 . . . . 0.93 110.475 175.853 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 5.8 mm-40 -102.34 99.11 9.15 Favored 'General case' 0 CA--C 1.511 -0.553 0 N-CA-C 107.789 -1.189 . . . . 1.88 107.789 -178.367 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . 0.498 ' CB ' ' HA ' ' A' ' 106' ' ' LYS . 23.9 p80 -138.46 172.18 13.27 Favored 'General case' 0 C--N 1.314 -0.957 0 C-N-CA 120.43 -0.508 . . . . 1.04 110.876 -173.108 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 43.6 mtmt -73.76 149.37 41.8 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.935 -0.575 . . . . 1.49 110.324 -178.521 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.59 HD11 ' HB2' ' A' ' 82' ' ' ALA . 72.0 mt -147.0 128.67 6.52 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.876 0 CA-C-N 115.473 -0.785 . . . . 0.54 109.785 179.578 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 24.7 m -105.93 130.32 53.9 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-O 120.877 0.37 . . . . 0.43 110.832 179.104 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.468 ' CE1' ' HG3' ' A' ' 102' ' ' GLU . 1.8 m-85 -112.86 124.52 52.78 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 108.79 -0.818 . . . . 0.6 108.79 174.08 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -163.33 164.35 24.85 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 120.846 0.355 . . . . 1.69 110.089 -177.05 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.51 ' HB2' ' HD2' ' A' ' 1' ' ' LYS . 2.7 mm? -100.85 111.1 23.24 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 109.519 -0.548 . . . . 1.12 109.519 179.769 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 46.3 tptt -77.56 -41.06 40.3 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 108.557 -0.905 . . . . 3.03 108.557 -175.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 -134.65 162.51 57.28 Favored Pre-proline 0 C--N 1.322 -0.597 0 CA-C-N 114.483 -1.235 . . . . 1.79 107.793 174.014 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_exo -68.68 5.55 1.27 Allowed 'Trans proline' 0 CA--C 1.529 0.267 0 C-N-CA 123.046 2.497 . . . . 0.98 112.504 -178.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 19.0 m120 -136.34 13.52 3.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.125 -0.488 . . . . 2.32 110.532 175.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 28.2 m -145.18 112.65 6.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.047 0.451 . . . . 0.56 111.82 -176.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.5 HD23 ' N ' ' A' ' 101' ' ' THR . 2.8 tt -91.85 134.75 34.48 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.873 -1.158 . . . . 1.1 107.873 175.496 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.5 ' N ' HD23 ' A' ' 100' ' ' LEU . 5.7 p -117.03 131.99 56.81 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 118.798 0.726 . . . . 0.41 112.03 -179.598 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.468 ' HG3' ' CE1' ' A' ' 92' ' ' PHE . 32.9 tt0 -112.67 105.46 13.63 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.321 -0.854 . . . . 1.31 109.121 174.523 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 27.0 m -101.58 115.69 31.09 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 120.786 0.327 . . . . 0.51 110.785 -177.394 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 30.8 m170 -89.88 114.37 26.13 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.345 -0.389 . . . . 1.69 110.125 177.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.472 ' O ' ' HB2' ' A' ' 88' ' ' HIS . 11.1 mt -108.28 104.22 16.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 121.256 0.55 . . . . 0.75 110.537 175.235 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.498 ' HA ' ' CB ' ' A' ' 88' ' ' HIS . 56.8 mttm -59.17 119.13 6.76 Favored 'General case' 0 C--N 1.313 -1.014 0 CA-C-N 115.178 -0.919 . . . . 1.61 110.682 176.527 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.486 HG13 ' HA ' ' A' ' 88' ' ' HIS . 12.2 m -63.29 -22.92 31.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.274 -0.875 . . . . 1.32 110.878 178.548 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -80.37 -45.32 17.94 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.433 -0.803 . . . . 2.5 110.295 178.305 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -140.33 90.84 10.08 Favored Pre-proline 0 C--N 1.325 -0.499 0 CA-C-O 121.426 0.632 . . . . 2.39 109.765 179.378 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -72.78 -0.45 8.95 Favored 'Trans proline' 0 N--CA 1.464 -0.249 0 C-N-CA 123.359 2.706 . . . . 0.9 113.448 -175.492 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 36.4 p -93.93 -12.64 28.36 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.145 0.498 . . . . 1.47 110.863 178.221 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -100.79 54.71 0.86 Allowed 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.493 0.663 . . . . 1.59 109.914 176.116 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.445 HG12 HG12 ' A' ' 105' ' ' ILE . 8.3 m -71.64 161.03 4.96 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.607 0 CA-C-N 115.346 -0.843 . . . . 1.6 112.274 178.677 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -144.72 131.16 19.77 Favored 'General case' 0 C--N 1.313 -1.013 0 CA-C-N 114.669 -1.15 . . . . 2.78 108.95 178.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . 0.56 ' O ' ' HG3' ' A' ' 129' ' ' MET . 39.7 m -123.72 118.62 27.64 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.328 0.585 . . . . 0.53 111.532 -171.72 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' TYR . . . . . 0.42 ' CD1' ' N ' ' A' ' 116' ' ' TYR . 2.1 m-85 -99.49 148.34 24.35 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 107.169 -1.419 . . . . 0.96 107.169 177.86 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . 0.484 ' HG2' HG22 ' A' ' 101' ' ' THR . 23.7 mt-10 -137.26 125.04 22.46 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 119.053 0.842 . . . . 1.27 108.809 -172.154 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . 0.476 ' HB2' ' HB3' ' A' ' 100' ' ' LEU . 53.0 m-85 -103.64 119.99 40.01 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.045 0.45 . . . . 0.6 111.267 -174.768 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 82.4 mtm180 -123.89 153.83 40.58 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.441 -0.8 . . . . 3.41 109.303 176.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . 0.541 HH21 ' HA ' ' A' ' 123' ' ' ASP . 9.0 tpt180 -111.35 129.93 55.84 Favored 'General case' 0 C--N 1.32 -0.677 0 C-N-CA 120.774 -0.371 . . . . 1.96 110.487 178.633 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -124.76 90.6 3.28 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.504 -0.554 . . . . 1.08 109.504 175.584 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 66.63 -106.41 1.62 Allowed Glycine 0 N--CA 1.445 -0.706 0 CA-C-N 115.559 -0.746 . . . . 0.92 111.769 -177.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . 0.541 ' HA ' HH21 ' A' ' 120' ' ' ARG . 8.4 p-10 -103.0 -1.59 29.02 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 120.677 0.275 . . . . 2.31 111.08 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -102.15 134.81 44.82 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.584 -0.28 . . . . 0.67 111.248 -177.361 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.467 ' HB3' ' HB2' ' A' ' 140' ' ' TYR . 3.4 tm? -85.59 112.05 20.61 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 107.051 -1.463 . . . . 1.03 107.051 168.365 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 58.8 t -98.25 103.31 14.54 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 CA-C-O 121.459 0.647 . . . . 0.47 110.092 -171.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' MET . . . . . 0.593 ' O ' ' HA ' ' A' ' 137' ' ' SER . 9.5 tpt -70.38 129.33 39.0 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-N 114.619 -1.173 . . . . 1.08 109.603 179.44 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 23.9 tptm -126.93 136.19 51.95 Favored 'General case' 0 C--N 1.315 -0.916 0 N-CA-C 109.193 -0.669 . . . . 2.2 109.193 178.462 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' MET . . . . . 0.56 ' HG3' ' O ' ' A' ' 115' ' ' THR . 20.8 ttp -160.74 140.73 11.1 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 109.107 -0.701 . . . . 1.11 109.107 178.309 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 20.9 t -142.95 147.79 35.8 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.442 0.639 . . . . 1.06 111.535 -176.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' TRP . . . . . . . . . . . . . 61.7 t-105 -154.72 133.98 12.5 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 114.843 -1.072 . . . . 0.76 109.488 176.651 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 11.8 ttmm 56.58 37.49 28.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 123.645 0.591 . . . . 1.96 111.536 178.686 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 82.34 -17.91 16.6 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 121.096 -0.574 . . . . 0.53 112.655 -179.299 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . 0.42 HG21 ' HB2' ' A' ' 25' ' ' ALA . 25.5 t -79.5 112.64 17.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 N-CA-C 110.145 -0.317 . . . . 0.43 110.145 -179.008 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -105.51 135.3 47.16 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 121.176 0.512 . . . . 1.14 111.407 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 7.2 t -127.2 152.82 46.86 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 115.782 -0.644 . . . . 0.4 110.476 178.615 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . 0.593 ' HA ' ' O ' ' A' ' 127' ' ' MET . 52.4 m -142.98 130.4 21.09 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.146 -0.479 . . . . 0.79 110.665 176.485 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . 0.433 ' HA ' ' HA ' ' A' ' 16' ' ' ASP . 25.5 mtt180 -99.84 149.41 23.41 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.336 -0.616 . . . . 1.84 109.336 171.317 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 95.7 m-85 -109.09 100.62 9.76 Favored 'General case' 0 C--N 1.313 -0.996 0 N-CA-C 109.448 -0.575 . . . . 0.64 109.448 177.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' TYR . . . . . 0.467 ' HB2' ' HB3' ' A' ' 125' ' ' LEU . 51.6 m-85 -92.04 126.23 37.04 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.257 -0.883 . . . . 0.6 110.52 -175.266 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . 0.425 ' O ' ' N ' ' A' ' 12' ' ' LYS . 4.0 tppp? -89.35 155.79 19.12 Favored 'General case' 0 C--O 1.206 -1.201 0 N-CA-C 107.563 -1.273 . . . . 1.92 107.563 177.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -58.4 161.46 4.41 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 118.946 0.794 . . . . 2.13 109.95 166.566 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . 0.514 ' HA ' ' HG3' ' A' ' 12' ' ' LYS . 69.6 mm-40 . . . . . 0 C--O 1.246 0.87 0 O-C-N 121.491 -0.756 . . . . 1.46 112.014 167.747 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1001 ' ' OLA . . . . . 0.536 ' H9 ' ' HA ' ' A' ' 36' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' -11' ' ' MET . . . . . . . . . . . . . 66.3 mtm . . . . . 0 N--CA 1.481 1.08 0 CA-C-O 120.751 0.31 . . . . 14.47 110.415 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' -10' ' ' ARG . . . . . . . . . . . . . 82.2 mtm180 -121.0 108.09 13.44 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.754 -0.462 . . . . 15.82 109.754 -179.523 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' -9' ' ' GLY . . . . . . . . . . . . . . . -63.17 -43.52 98.51 Favored Glycine 0 N--CA 1.45 -0.43 0 N-CA-C 111.556 -0.617 . . . . 11.88 111.556 178.313 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' -8' ' ' SER . . . . . 0.488 ' HA ' ' CD2' ' A' ' -5' ' ' HIS . 66.1 m 58.26 47.92 13.41 Favored 'General case' 0 C--N 1.33 -0.269 0 O-C-N 123.966 0.451 . . . . 11.68 111.735 176.327 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' -7' ' ' HIS . . . . . . . . . . . . . 14.6 p-80 -69.4 -30.68 68.71 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.743 -0.466 . . . . 11.79 109.743 175.316 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' -6' ' ' HIS . . . . . . . . . . . . . 23.1 p-80 175.59 115.41 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 115.465 -0.789 . . . . 10.98 109.665 168.64 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' -5' ' ' HIS . . . . . 0.488 ' CD2' ' HA ' ' A' ' -8' ' ' SER . 1.8 p80 -164.42 98.33 0.8 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.386 0.613 . . . . 9.31 110.443 176.508 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' -4' ' ' HIS . . . . . . . . . . . . . 27.0 t-80 -98.75 -51.97 3.74 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.921 -0.581 . . . . 10.54 109.778 178.525 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' -3' ' ' HIS . . . . . . . . . . . . . 94.7 m-70 -74.92 -27.33 60.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.193 0.52 . . . . 8.73 110.036 178.652 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 62.0 m-70 -104.38 28.26 7.07 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.32 -0.622 . . . . 7.06 109.32 171.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' -1' ' ' GLY . . . . . 0.443 ' HA3' ' O ' ' A' ' -5' ' ' HIS . . . -145.93 35.96 1.35 Allowed Glycine 0 N--CA 1.445 -0.727 0 CA-C-N 115.747 -0.661 . . . . 3.5 111.557 179.294 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 19.5 m -77.86 126.0 30.19 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.717 -0.475 . . . . 3.11 109.717 178.496 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.676 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 83.6 mttt -70.24 94.29 0.9 Allowed 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.966 -0.561 . . . . 2.99 110.125 -178.776 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 17.1 m -62.4 146.02 52.45 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.199 -0.455 . . . . 0.99 109.968 -174.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.75 ' HB2' ' CE1' ' A' ' 56' ' ' TYR . 3.2 mt -58.04 121.39 50.43 Favored Pre-proline 0 CA--C 1.516 -0.334 0 CA-C-O 120.696 0.284 . . . . 0.59 111.106 -177.372 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.421 ' HD2' HD23 ' A' ' 3' ' ' LEU . 43.9 Cg_endo -73.79 140.11 28.61 Favored 'Trans proline' 0 N--CA 1.453 -0.873 0 C-N-CA 122.555 2.17 . . . . 0.61 110.811 173.869 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.497 ' HA ' HD12 ' A' ' 8' ' ' LEU . 5.8 p-10 -51.44 -24.39 4.93 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 115.289 -0.869 . . . . 2.19 112.646 -176.262 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.561 ' HD2' ' H ' ' A' ' 6' ' ' LYS . 3.3 mptp? -58.22 -29.86 66.05 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.26 0.467 . . . . 2.53 112.26 -179.643 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 35.1 m-85 -92.25 -1.9 56.81 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.46 -0.496 . . . . 0.6 111.416 -178.454 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.497 HD12 ' HA ' ' A' ' 5' ' ' ASP . 98.8 mt -96.36 150.77 20.21 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.401 0.62 . . . . 0.46 112.029 -170.306 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 125.34 164.83 11.94 Favored Glycine 0 N--CA 1.442 -0.915 0 CA-C-N 114.876 -1.056 . . . . 0.52 111.437 -177.756 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.402 HG23 ' HG2' ' A' ' 44' ' ' LYS . 91.3 m -91.5 123.75 35.15 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 109.385 -0.598 . . . . 1.05 109.385 174.457 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.425 ' HA ' ' HA ' ' A' ' 142' ' ' LYS . 74.0 m-85 -116.51 129.58 56.28 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.404 -0.362 . . . . 0.47 111.234 -175.549 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.568 ' HB3' ' CD ' ' A' ' 143' ' ' GLN . 13.2 ptmm? -91.19 134.4 34.58 Favored 'General case' 0 C--O 1.234 0.289 0 C-N-CA 120.052 -0.659 . . . . 2.19 110.355 172.47 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.403 HD11 ' CZ ' ' A' ' 138' ' ' ARG . 3.6 tt -58.38 124.93 21.21 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 108.981 -0.748 . . . . 1.14 108.981 172.482 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.403 ' HA ' ' OE2' ' A' ' 14' ' ' GLU . 3.5 tp10 -101.68 -45.29 5.3 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.96 0.41 . . . . 2.08 110.511 -178.482 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 8.4 ptp180 -158.65 176.73 12.02 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.118 -0.492 . . . . 3.36 109.947 -178.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.439 ' HA ' ' HA ' ' A' ' 138' ' ' ARG . 6.8 p30 -148.49 165.65 30.53 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.981 0.42 . . . . 1.19 111.401 178.115 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -146.28 124.31 12.09 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.646 -0.706 . . . . 2.66 110.776 -174.737 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 57.6 t30 69.89 23.12 5.64 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-O 121.632 0.729 . . . . 0.76 111.019 174.606 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 26.0 t80 -76.72 -37.19 56.49 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.662 -0.699 . . . . 0.49 110.99 -174.226 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -60.02 -47.12 87.14 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 110.3 -0.259 . . . . 2.04 110.3 177.36 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -55.27 -42.75 73.95 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 116.395 -0.366 . . . . 1.79 111.269 176.314 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 80.7 t80 -59.46 -40.81 88.08 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.268 -0.424 . . . . 0.57 110.67 176.176 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.494 HD13 ' HA ' ' A' ' 33' ' ' ARG . 84.9 mt -67.14 -38.1 84.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.914 0.388 . . . . 0.37 110.586 -177.679 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 25.8 mtpp -61.34 -51.08 70.34 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.969 -0.56 . . . . 1.88 109.944 176.494 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.35 -38.9 88.63 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.134 -0.939 . . . . 0.44 110.929 178.41 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 13.0 tpt180 -71.55 -9.03 57.59 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.073 -0.512 . . . . 1.29 111.233 -177.05 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 99.67 30.38 6.52 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.518 -0.849 . . . . 0.62 113.58 173.42 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 71.5 m-85 -107.45 117.03 33.03 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.283 0.563 . . . . 0.64 109.995 176.068 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -65.84 -64.06 3.65 Favored Glycine 0 C--O 1.228 -0.275 0 CA-C-N 114.746 -1.116 . . . . 1.54 114.078 -173.066 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 86.1 t90 -156.89 -60.17 0.09 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 117.316 0.558 . . . . 1.18 111.306 -177.534 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 1.1 mm -51.63 -50.63 29.95 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.202 0 CA-C-O 120.977 0.418 . . . . 2.16 111.748 -178.217 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.644 ' O ' HG13 ' A' ' 36' ' ' ILE . 63.9 mmm -57.99 -38.99 77.12 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.843 -0.617 . . . . 0.97 111.462 179.227 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.628 ' O ' ' HG2' ' A' ' 37' ' ' LYS . 11.5 mtm180 -63.5 -26.56 68.77 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.974 0.416 . . . . 1.87 110.081 -179.64 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -77.89 -22.06 50.32 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.819 -0.628 . . . . 1.97 110.455 -179.645 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.421 ' CG1' ' HG3' ' A' ' 64' ' ' LYS . 50.8 t -89.69 -65.16 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-O 121.205 0.526 . . . . 0.68 110.69 176.144 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.644 HG13 ' O ' ' A' ' 32' ' ' MET . 26.4 mt -46.35 -49.91 5.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 N-CA-C 114.819 1.414 . . . . 0.51 114.819 -172.593 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.628 ' HG2' ' O ' ' A' ' 33' ' ' ARG . 46.6 pttt -82.53 -3.13 55.43 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 119.554 -0.858 . . . . 0.97 111.842 -174.279 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.504 HD22 ' HG3' ' A' ' 37' ' ' LYS . 4.6 mm? -96.25 -5.56 40.03 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.926 0.393 . . . . 2.08 110.512 178.245 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -81.16 108.23 14.64 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.117 -0.492 . . . . 1.03 111.122 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -82.18 61.26 4.72 Favored Glycine 0 N--CA 1.45 -0.39 0 CA-C-N 116.006 -0.543 . . . . 0.84 112.202 179.342 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.625 ' HB ' HG22 ' A' ' 62' ' ' THR . 2.7 p -53.53 144.68 4.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 N-CA-C 113.684 0.994 . . . . 1.3 113.684 179.224 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 37.8 m -117.09 127.89 54.59 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 114.568 -1.196 . . . . 0.45 108.905 176.074 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.498 ' HE2' ' SD ' ' A' ' 127' ' ' MET . 48.4 mttp -104.14 139.83 38.66 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.792 0.329 . . . . 0.79 110.83 -176.613 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.666 ' O ' ' HA ' ' A' ' 58' ' ' MET . 57.7 mtpt -125.34 106.71 10.04 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.145 -0.479 . . . . 1.96 111.292 -175.695 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.534 ' HZ ' ' CD1' ' A' ' 118' ' ' TYR . 56.6 m-85 -101.25 118.43 36.97 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.587 -0.523 . . . . 0.54 109.587 175.406 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 9.9 ptm180 -151.45 172.26 16.25 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 120.603 0.24 . . . . 3.17 111.229 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.472 ' HA ' ' CD2' ' A' ' 56' ' ' TYR . 33.1 m-80 -58.62 159.69 6.32 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.558 -0.746 . . . . 1.85 109.628 172.166 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.12 151.87 11.55 Favored 'General case' 0 CA--C 1.519 -0.219 0 N-CA-C 112.426 0.528 . . . . 0.87 112.426 -172.689 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -50.38 -60.46 2.97 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.711 -0.677 . . . . 1.48 110.984 -179.588 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 74.0 m -77.98 21.45 0.32 Allowed 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 112.965 0.728 . . . . 2.37 112.965 -178.166 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 62.04 37.53 94.59 Favored Glycine 0 CA--C 1.518 0.278 0 C-N-CA 121.115 -0.564 . . . . 1.91 113.815 176.59 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 5.8 mptp? -84.2 133.91 44.35 Favored Pre-proline 0 C--N 1.324 -0.531 0 N-CA-C 109.91 -0.404 . . . . 3.17 109.91 177.287 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.42 ' O ' ' HB2' ' A' ' 54' ' ' ASP . 67.5 Cg_endo -71.45 140.63 36.92 Favored 'Trans proline' 0 C--O 1.238 0.506 0 C-N-CA 122.605 2.203 . . . . 1.84 112.559 -178.439 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.42 ' HB2' ' O ' ' A' ' 53' ' ' PRO . 21.6 m-20 76.09 -38.86 0.35 Allowed 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 123.882 0.873 . . . . 2.44 110.857 179.452 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.412 ' HG2' ' HB2' ' A' ' 73' ' ' ALA . 60.8 mtp85 -72.3 143.03 48.85 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.254 0.549 . . . . 4.1 110.766 170.691 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.75 ' CE1' ' HB2' ' A' ' 3' ' ' LEU . 78.3 m-85 -128.92 -177.64 4.29 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.95 -0.568 . . . . 0.97 110.937 -177.132 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.44 ' OD2' ' HA ' ' A' ' 70' ' ' LYS . 11.0 t70 -137.58 143.09 41.35 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.042 -0.725 . . . . 1.1 109.042 -177.848 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.666 ' HA ' ' O ' ' A' ' 44' ' ' LYS . 1.3 tmm? -144.88 124.27 13.08 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.93 0.395 . . . . 0.98 110.815 -177.737 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -116.06 152.89 32.7 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.182 0.515 . . . . 1.11 111.986 -179.464 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.497 ' HB2' ' OG1' ' A' ' 67' ' ' THR . 49.2 m-80 -126.25 91.64 3.41 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.273 -0.876 . . . . 1.17 109.222 174.205 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.487 ' O ' ' HA ' ' A' ' 41' ' ' VAL . 3.8 mm? -85.61 111.7 20.31 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 109.653 -0.499 . . . . 1.67 109.653 179.549 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.625 HG22 ' HB ' ' A' ' 41' ' ' VAL . 3.8 p -116.69 -167.6 1.32 Allowed 'General case' 0 N--CA 1.443 -0.781 0 N-CA-C 109.882 -0.414 . . . . 0.45 109.882 -175.407 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 80.6 p -97.08 -31.86 12.27 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-O 120.989 0.423 . . . . 0.54 110.947 -176.606 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.421 ' HG3' ' CG1' ' A' ' 35' ' ' VAL . 48.6 mmtm -112.95 2.84 15.97 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.08 -0.509 . . . . 2.24 110.877 -177.595 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.447 ' O ' ' HB3' ' A' ' 66' ' ' ASP . 5.4 mmtt -153.68 -153.31 0.46 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.157 -0.474 . . . . 1.82 110.438 -176.571 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.447 ' HB3' ' O ' ' A' ' 65' ' ' LYS . 5.6 p-10 160.58 126.3 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 114.754 -1.112 . . . . 2.12 108.416 -174.018 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.497 ' OG1' ' HB2' ' A' ' 60' ' ' ASN . 67.6 p -133.4 152.22 51.9 Favored 'General case' 0 C--N 1.314 -0.955 0 N-CA-C 109.74 -0.467 . . . . 0.56 109.74 178.676 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 9.6 t-160 -140.44 98.27 3.39 Favored 'General case' 0 C--N 1.317 -0.832 0 N-CA-C 109.859 -0.423 . . . . 1.95 109.859 -177.168 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 14.8 m-70 -73.74 83.51 1.62 Allowed 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 108.03 -1.1 . . . . 0.39 108.03 173.374 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.44 ' HA ' ' OD2' ' A' ' 57' ' ' ASP . 10.5 ptpt -82.38 109.95 17.09 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.605 -0.725 . . . . 2.3 112.451 -172.009 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 7.0 t70 63.69 75.27 0.39 Allowed 'General case' 0 C--O 1.238 0.47 0 CA-C-N 114.69 -1.141 . . . . 2.07 111.395 173.604 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' TRP . . . . . 0.428 ' HE1' ' HB2' ' A' ' 58' ' ' MET . 69.4 p-90 -118.91 158.32 25.94 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.61 -0.723 . . . . 0.43 110.275 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.528 ' O ' ' HB3' ' A' ' 76' ' ' GLU . . . -120.04 149.14 42.66 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 110.148 -0.316 . . . . 0.55 110.148 174.642 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.676 ' HG ' ' O ' ' A' ' 1' ' ' LYS . 0.0 OUTLIER -64.79 144.11 57.48 Favored 'General case' 0 C--N 1.32 -0.707 0 C-N-CA 119.918 -0.713 . . . . 1.71 109.534 168.73 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 79.91 1.85 87.85 Favored Glycine 0 C--N 1.314 -0.676 0 CA-C-N 115.335 -0.848 . . . . 0.59 111.841 -171.056 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.528 ' HB3' ' O ' ' A' ' 73' ' ' ALA . 8.7 tp10 -106.3 153.25 22.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.402 0.62 . . . . 2.37 110.933 -176.332 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -125.54 108.97 12.12 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 114.768 -1.105 . . . . 1.4 108.413 -179.547 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 47.9 p90 -119.01 156.31 29.86 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-O 120.857 0.36 . . . . 0.57 111.001 -173.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 -91.8 139.28 30.82 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.226 -0.657 . . . . 1.95 109.226 175.039 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 43.2 t0 -165.28 167.69 17.68 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.112 -0.699 . . . . 1.26 109.112 -175.5 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.451 ' HA ' ' HA ' ' A' ' 87' ' ' GLN . 39.6 tt0 -103.15 113.81 27.59 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.006 -0.738 . . . . 2.13 109.006 178.81 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -85.24 175.69 8.79 Favored 'General case' 0 C--N 1.311 -1.084 0 CA-C-N 114.954 -1.021 . . . . 0.95 111.882 -174.596 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.445 HD22 HG21 ' A' ' 62' ' ' THR . 68.1 mt -63.93 -17.7 63.5 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.774 -0.648 . . . . 1.34 110.999 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.552 ' HA ' H142 ' A' 1001 ' ' OLA . 2.6 p30 -74.33 7.9 2.55 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.371 -0.831 . . . . 1.55 112.312 -179.717 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.401 ' HB3' ' O ' ' A' ' 84' ' ' ASP . 48.2 t 75.83 -2.33 2.79 Favored 'General case' 0 N--CA 1.467 0.407 0 N-CA-C 112.539 0.57 . . . . 1.21 112.539 172.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 13.6 p -119.56 165.52 14.32 Favored 'General case' 0 C--N 1.321 -0.63 0 O-C-N 121.959 -0.463 . . . . 0.93 110.272 175.448 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.451 ' HA ' ' HA ' ' A' ' 81' ' ' GLU . 1.6 pt20 -115.89 132.21 56.71 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.48 0.657 . . . . 1.88 110.171 -179.842 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . 0.629 ' HB2' ' O ' ' A' ' 105' ' ' ILE . 9.2 p80 -154.53 -174.69 5.07 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 114.748 -1.114 . . . . 1.04 109.723 -171.76 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.554 ' CG ' ' HB ' ' A' ' 105' ' ' ILE . 17.7 ptpt -80.29 147.91 30.96 Favored 'General case' 0 N--CA 1.448 -0.55 0 C-N-CA 120.404 -0.518 . . . . 1.49 109.73 179.497 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 71.4 mt -140.59 132.86 31.51 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.969 0 CA-C-N 115.455 -0.793 . . . . 0.54 109.739 178.291 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 52.6 m -116.59 129.81 56.38 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-O 121.134 0.493 . . . . 0.43 111.312 -179.69 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.422 ' CE1' ' HG3' ' A' ' 102' ' ' GLU . 8.4 m-85 -109.05 134.85 51.13 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 108.041 -1.096 . . . . 0.6 108.041 174.348 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -154.53 139.4 17.19 Favored 'General case' 0 C--N 1.315 -0.912 0 C-N-CA 120.613 -0.435 . . . . 1.69 110.518 -178.229 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.417 HD22 ' HG ' ' A' ' 100' ' ' LEU . 1.4 mm? -80.39 109.21 14.67 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 109.107 -0.701 . . . . 1.12 109.107 175.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 83.0 tttt -85.44 -55.23 4.11 Favored 'General case' 0 C--N 1.317 -0.821 0 N-CA-C 108.592 -0.892 . . . . 3.03 108.592 -173.787 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 43.7 m-20 -133.99 164.06 46.68 Favored Pre-proline 0 C--N 1.318 -0.782 0 N-CA-C 107.797 -1.186 . . . . 1.79 107.797 174.192 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_exo -67.18 4.89 1.01 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.829 2.353 . . . . 0.98 112.511 -178.278 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 5.0 p-10 -136.18 14.35 3.28 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.969 -0.56 . . . . 2.32 110.441 177.319 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 85.9 m -152.13 112.57 4.11 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-O 121.471 0.653 . . . . 0.56 112.268 -178.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.475 HD12 HD21 ' A' ' 3' ' ' LEU . 0.8 OUTLIER -93.95 139.31 31.07 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.903 -1.147 . . . . 1.1 107.903 173.327 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.497 HG22 ' HG2' ' A' ' 117' ' ' GLU . 17.3 p -112.95 133.86 54.72 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 119.255 0.934 . . . . 0.41 111.817 -178.848 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.422 ' HG3' ' CE1' ' A' ' 92' ' ' PHE . 30.5 tt0 -120.22 109.04 14.94 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.69 -0.686 . . . . 1.31 109.694 174.752 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 91.0 m -107.4 123.51 48.48 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.235 0.541 . . . . 0.51 110.932 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . 0.542 ' HB3' ' CE1' ' A' ' 88' ' ' HIS . 3.8 m170 -96.89 122.66 40.1 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.477 -0.783 . . . . 1.69 108.94 177.271 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.629 ' O ' ' HB2' ' A' ' 88' ' ' HIS . 47.0 mt -122.96 119.37 57.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 120.905 0.383 . . . . 0.75 110.217 174.005 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.511 ' HA ' ' CB ' ' A' ' 88' ' ' HIS . 55.7 mtpt -64.36 118.13 8.25 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.744 -0.662 . . . . 1.61 111.408 179.214 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.53 HG22 ' HA ' ' A' ' 88' ' ' HIS . 6.8 m -63.7 -18.34 22.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.466 -0.788 . . . . 1.32 111.424 176.568 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -90.25 -41.8 11.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.117 -0.492 . . . . 2.5 110.619 177.701 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.504 ' O ' ' HB2' ' A' ' 106' ' ' LYS . 5.8 m-20 -138.49 88.94 14.1 Favored Pre-proline 0 C--N 1.326 -0.454 0 CA-C-N 116.166 -0.47 . . . . 2.39 110.547 176.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -70.62 3.5 3.14 Favored 'Trans proline' 0 C--O 1.234 0.3 0 C-N-CA 123.29 2.66 . . . . 0.9 112.883 -178.403 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 34.3 p -80.28 -28.31 38.38 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-O 121.246 0.546 . . . . 1.47 109.556 173.477 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -92.33 114.95 27.63 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.549 -0.75 . . . . 1.59 109.132 174.725 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.604 HG12 HG12 ' A' ' 105' ' ' ILE . 2.8 m -123.37 178.32 3.42 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.02 0 CA-C-N 115.909 -0.587 . . . . 1.6 109.821 -177.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -170.68 119.25 0.53 Allowed 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 109.834 -0.432 . . . . 2.78 109.834 -178.603 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 89.4 m -123.57 123.94 41.7 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.399 0.618 . . . . 0.53 111.939 -174.664 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' TYR . . . . . 0.44 ' HA ' ' O ' ' A' ' 128' ' ' LYS . 2.5 m-30 -99.17 156.93 16.71 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 107.201 -1.407 . . . . 0.96 107.201 171.395 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . 0.497 ' HG2' HG22 ' A' ' 101' ' ' THR . 36.7 mt-10 -133.21 122.48 24.03 Favored 'General case' 0 N--CA 1.444 -0.754 0 N-CA-C 107.146 -1.427 . . . . 1.27 107.146 172.811 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . 0.534 ' CD1' ' HZ ' ' A' ' 45' ' ' PHE . 73.9 m-85 -88.12 104.61 16.85 Favored 'General case' 0 C--N 1.316 -0.866 0 N-CA-C 109.283 -0.636 . . . . 0.6 109.283 -179.716 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . 0.411 ' NH1' ' HD3' ' A' ' 128' ' ' LYS . 17.2 ptt180 -115.8 149.88 37.83 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.835 -0.432 . . . . 3.41 109.835 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . 0.545 ' NH2' ' HA ' ' A' ' 123' ' ' ASP . 10.0 mmm180 -100.54 136.01 41.08 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.94 0.4 . . . . 1.96 111.464 -178.623 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -133.46 89.09 2.55 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.764 -0.653 . . . . 1.08 109.36 174.611 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 77.25 -109.69 2.85 Favored Glycine 0 N--CA 1.446 -0.645 0 CA-C-N 115.698 -0.683 . . . . 0.92 111.395 -176.751 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . 0.545 ' HA ' ' NH2' ' A' ' 120' ' ' ARG . 15.8 m-20 -109.84 10.37 24.52 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.091 0.472 . . . . 2.31 110.574 177.704 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -108.18 139.48 42.8 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.036 -0.529 . . . . 0.67 111.47 -175.259 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.454 ' O ' ' HB2' ' A' ' 140' ' ' TYR . 3.2 tm? -92.72 118.84 31.49 Favored 'General case' 0 N--CA 1.447 -0.606 0 N-CA-C 107.24 -1.392 . . . . 1.03 107.24 172.209 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 44.0 t -108.6 122.78 63.67 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.928 0 C-N-CA 120.327 -0.549 . . . . 0.47 110.671 -170.576 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' MET . . . . . 0.498 ' SD ' ' HE2' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -79.15 123.99 27.9 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.329 -0.851 . . . . 1.08 110.119 178.636 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . 0.552 ' HE2' ' OG ' ' A' ' 130' ' ' SER . 18.5 tptm -113.36 111.43 21.97 Favored 'General case' 0 C--N 1.317 -0.811 0 N-CA-C 109.347 -0.612 . . . . 2.2 109.347 177.498 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' MET . . . . . 0.493 ' HB2' ' CG2' ' A' ' 136' ' ' THR . 59.1 mtp -128.56 129.03 45.39 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.508 -0.553 . . . . 1.11 109.508 -179.821 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . 0.552 ' OG ' ' HE2' ' A' ' 128' ' ' LYS . 2.3 m -132.29 134.95 45.86 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.176 0.512 . . . . 1.06 111.005 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' TRP . . . . . . . . . . . . . 42.6 t-105 -148.91 129.46 13.98 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.269 -0.878 . . . . 0.76 109.687 176.575 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 68.5 mttm 54.37 38.61 29.84 Favored 'General case' 0 C--N 1.327 -0.389 0 O-C-N 123.664 0.603 . . . . 1.96 111.207 -178.339 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 82.88 -10.49 57.21 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.998 -0.62 . . . . 0.53 113.096 179.418 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . 0.508 ' O ' ' HA ' ' A' ' 130' ' ' SER . 8.2 t -86.86 108.34 17.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.753 0.277 . . . . 0.43 110.416 -178.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -102.36 126.71 49.46 Favored 'General case' 0 N--CA 1.445 -0.681 0 CA-C-O 121.506 0.67 . . . . 1.14 111.362 177.419 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . 0.493 ' CG2' ' HB2' ' A' ' 129' ' ' MET . 5.1 t -114.38 135.73 53.77 Favored 'General case' 0 C--N 1.312 -1.03 0 CA-C-N 115.155 -0.929 . . . . 0.4 109.792 178.747 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . 0.462 ' HA ' ' O ' ' A' ' 127' ' ' MET . 14.8 m -115.08 108.59 16.86 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.102 -0.499 . . . . 0.79 110.011 178.048 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . 0.481 ' HD3' ' O2 ' ' A' 1001 ' ' OLA . 44.9 mtp180 -99.14 128.46 45.28 Favored 'General case' 0 C--N 1.319 -0.717 0 N-CA-C 109.244 -0.65 . . . . 1.84 109.244 178.456 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 91.1 m-85 -97.25 113.22 24.8 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 121.079 0.466 . . . . 0.64 111.301 -170.722 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' TYR . . . . . 0.454 ' HB2' ' O ' ' A' ' 125' ' ' LEU . 24.1 m-85 -104.71 135.1 46.72 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.52 -0.764 . . . . 0.6 109.585 177.166 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . 0.407 ' O ' ' N ' ' A' ' 12' ' ' LYS . 12.5 ptpt -109.11 169.2 8.84 Favored 'General case' 0 C--N 1.312 -1.038 0 N-CA-C 107.625 -1.25 . . . . 1.92 107.625 171.546 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . 0.489 ' O ' ' HG2' ' A' ' 12' ' ' LYS . 61.7 tttm -53.14 164.0 0.48 Allowed 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 118.599 0.636 . . . . 2.13 111.421 171.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . 0.568 ' CD ' ' HB3' ' A' ' 12' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.054 0 O-C-N 121.349 -0.844 . . . . 1.46 109.375 159.593 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1001 ' ' OLA . . . . . 0.611 ' H9 ' ' HA ' ' A' ' 36' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' -11' ' ' MET . . . . . 0.445 ' HG3' ' HG3' ' A' ' -10' ' ' ARG . 26.1 ptt? . . . . . 0 N--CA 1.483 1.185 0 CA-C-O 120.764 0.316 . . . . 14.47 111.111 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' -10' ' ' ARG . . . . . 0.445 ' HG3' ' HG3' ' A' ' -11' ' ' MET . 99.7 mtt180 -118.13 164.84 14.55 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.986 -0.376 . . . . 15.82 109.986 179.019 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' -9' ' ' GLY . . . . . . . . . . . . . . . 139.12 -156.28 24.35 Favored Glycine 0 N--CA 1.446 -0.677 0 C-N-CA 120.649 -0.786 . . . . 11.88 112.091 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' -8' ' ' SER . . . . . . . . . . . . . 14.3 m -91.96 71.02 5.55 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.076 0.465 . . . . 11.68 110.751 -178.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' -7' ' ' HIS . . . . . . . . . . . . . 41.2 p-80 -158.21 138.05 12.16 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.433 -0.58 . . . . 11.79 109.433 176.009 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' -6' ' ' HIS . . . . . . . . . . . . . 10.6 t-80 -79.4 138.58 37.69 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.007 -0.542 . . . . 10.98 111.301 -171.424 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' -5' ' ' HIS . . . . . . . . . . . . . 54.9 m80 -103.28 -169.85 1.71 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.815 -0.63 . . . . 9.31 109.876 177.55 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' -4' ' ' HIS . . . . . . . . . . . . . 42.1 m80 70.73 -73.53 0.1 Allowed 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 123.263 0.625 . . . . 10.54 110.709 179.52 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' -3' ' ' HIS . . . . . . . . . . . . . 47.0 t60 -89.78 70.19 7.66 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 108.772 -0.825 . . . . 8.73 108.772 175.641 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 59.4 t60 -160.19 108.77 1.7 Allowed 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.964 -0.562 . . . . 7.06 110.636 -174.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -96.4 -89.62 1.82 Allowed Glycine 0 N--CA 1.445 -0.707 0 C-N-CA 120.903 -0.665 . . . . 3.5 111.471 177.796 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 16.2 m -108.67 151.84 25.62 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 110.141 -0.318 . . . . 3.11 110.141 179.059 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.55 ' O ' HD21 ' A' ' 74' ' ' LEU . 52.7 mtpt -83.73 111.07 18.83 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 108.885 -0.783 . . . . 2.99 108.885 174.684 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.0 m -72.34 129.35 38.19 Favored 'General case' 0 C--N 1.317 -0.821 0 C-N-CA 120.777 -0.369 . . . . 0.99 110.335 -176.603 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.632 ' HB2' ' CE1' ' A' ' 56' ' ' TYR . 0.5 OUTLIER -65.23 121.39 74.22 Favored Pre-proline 0 C--N 1.323 -0.551 0 CA-C-N 115.759 -0.655 . . . . 0.59 110.173 179.675 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.433 ' HD2' HD23 ' A' ' 3' ' ' LEU . 25.4 Cg_exo -61.12 136.88 67.77 Favored 'Trans proline' 0 N--CA 1.46 -0.471 0 C-N-CA 122.58 2.187 . . . . 0.61 111.068 174.22 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.67 ' HA ' HD12 ' A' ' 8' ' ' LEU . 4.7 m-20 -58.42 -21.46 50.9 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 115.88 -0.6 . . . . 2.19 111.022 -178.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 48.4 tttm -55.12 -33.84 63.2 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 115.542 -0.754 . . . . 2.53 112.164 175.155 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 70.6 m-85 -90.19 -2.04 58.01 Favored 'General case' 0 C--N 1.331 -0.199 0 O-C-N 121.934 -0.479 . . . . 0.6 110.905 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.67 HD12 ' HA ' ' A' ' 5' ' ' ASP . 90.4 mt -98.32 166.14 11.53 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.477 0.656 . . . . 0.46 111.773 -172.512 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 117.79 -162.73 12.95 Favored Glycine 0 N--CA 1.446 -0.689 0 CA-C-N 114.943 -1.026 . . . . 0.52 111.263 179.184 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.557 ' O ' ' HA ' ' A' ' 142' ' ' LYS . 14.9 t -130.17 140.24 50.78 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-O 121.115 0.484 . . . . 1.05 110.115 174.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.488 ' HA ' ' HA ' ' A' ' 142' ' ' LYS . 51.3 m-85 -131.08 132.43 44.87 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 115.724 -0.671 . . . . 0.47 111.229 -176.35 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.466 ' HB3' ' NE2' ' A' ' 143' ' ' GLN . 2.9 ptpp? -91.04 137.01 32.69 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 120.453 -0.499 . . . . 2.19 110.018 170.638 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.55 HD11 ' NH2' ' A' ' 138' ' ' ARG . 5.1 tt -54.5 119.72 5.64 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.696 -0.684 . . . . 1.14 110.675 175.126 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -90.81 -55.24 3.64 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.829 -0.434 . . . . 2.08 109.829 174.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 6.5 ptm180 -164.9 -171.47 2.27 Favored 'General case' 0 CA--C 1.529 0.157 0 CA-C-N 116.387 -0.369 . . . . 3.36 110.691 -177.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -159.52 170.83 20.84 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.203 -0.453 . . . . 1.19 110.427 177.266 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -139.56 127.72 22.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.392 -0.367 . . . . 2.66 110.413 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 64.7 t30 70.9 23.07 4.45 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-O 122.043 0.925 . . . . 0.76 110.994 176.244 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.4 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 28.9 t80 -72.09 -42.02 66.65 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.175 -0.92 . . . . 0.49 111.154 -174.258 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.563 ' OD1' ' HE2' ' A' ' 24' ' ' LYS . 21.3 t70 -53.12 -53.81 44.91 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 116.4 -0.363 . . . . 2.04 111.463 177.862 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -59.29 -36.47 75.64 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-N 116.111 -0.495 . . . . 1.79 111.549 -179.602 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 84.0 t80 -60.79 -38.4 85.17 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-O 120.804 0.335 . . . . 0.57 110.898 175.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.4 ' HG ' ' O ' ' A' ' 19' ' ' PHE . 84.5 mt -66.64 -36.88 83.63 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.784 0.326 . . . . 0.37 110.399 -179.085 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.563 ' HE2' ' OD1' ' A' ' 20' ' ' ASP . 68.0 mttm -63.13 -43.51 98.19 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.371 0.605 . . . . 1.88 109.633 176.46 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.71 -44.72 96.24 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 114.982 -1.008 . . . . 0.44 111.32 179.03 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 15.6 mmm180 -70.61 -10.39 59.19 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.325 -0.398 . . . . 1.29 111.838 -178.172 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 91.92 24.13 25.97 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.57 -0.824 . . . . 0.62 112.573 177.412 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 62.9 m-85 -89.68 122.21 32.58 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.798 -0.445 . . . . 0.64 109.798 177.082 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.478 ' O ' ' HG3' ' A' ' 33' ' ' ARG . . . -75.0 -175.75 36.51 Favored Glycine 0 N--CA 1.443 -0.861 0 CA-C-N 115.375 -0.83 . . . . 1.54 112.699 -176.483 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.461 ' O ' ' HG2' ' A' ' 34' ' ' GLN . 90.4 t90 -53.88 -51.61 63.1 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 122.478 0.311 . . . . 1.18 111.391 -175.234 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.432 HD13 ' HA ' ' A' ' 31' ' ' ILE . 1.0 OUTLIER -55.47 -53.16 39.12 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.139 0 CA-C-N 116.406 -0.361 . . . . 2.16 111.859 -179.41 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.611 ' O ' HG13 ' A' ' 36' ' ' ILE . 52.2 mmm -56.99 -43.94 82.24 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.324 -0.398 . . . . 0.97 111.354 179.85 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.478 ' HG3' ' O ' ' A' ' 29' ' ' GLY . 71.9 mtm-85 -62.36 -30.78 71.43 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 120.941 -0.304 . . . . 1.87 110.928 -179.322 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.57 ' O ' HD23 ' A' ' 38' ' ' LEU . 10.3 mm100 -72.58 -26.33 61.67 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.934 0.397 . . . . 1.97 110.403 178.45 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.46 HG13 ' HG3' ' A' ' 64' ' ' LYS . 83.6 t -83.92 -63.76 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 116.173 -0.467 . . . . 0.68 110.717 176.623 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.611 HG13 ' O ' ' A' ' 32' ' ' MET . 33.1 mt -48.91 -41.03 12.89 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.394 0 C-N-CA 123.976 0.91 . . . . 0.51 113.417 -176.519 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 56.5 mtmt -74.5 -24.24 58.97 Favored 'General case' 0 N--CA 1.466 0.342 0 O-C-N 122.058 -0.401 . . . . 0.97 112.055 -176.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.57 HD23 ' O ' ' A' ' 34' ' ' GLN . 3.9 mm? -103.84 3.3 33.71 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.79 0.328 . . . . 2.08 111.33 -174.022 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -89.83 120.1 30.78 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 120.898 0.38 . . . . 1.03 110.739 -179.713 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.449 ' O ' ' HA ' ' A' ' 62' ' ' THR . . . -72.93 143.55 33.63 Favored Glycine 0 N--CA 1.445 -0.753 0 N-CA-C 110.852 -0.899 . . . . 0.84 110.852 174.681 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.405 HG22 HG22 ' A' ' 62' ' ' THR . 45.9 t -127.86 133.49 67.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-O 121.109 0.48 . . . . 1.3 111.272 -173.747 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 99.5 m -114.17 115.76 28.0 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.598 -0.728 . . . . 0.45 110.54 174.58 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.434 ' O ' ' HA ' ' A' ' 10' ' ' THR . 74.8 mmtt -87.97 136.78 32.81 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.311 -0.626 . . . . 0.79 109.311 176.047 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.512 ' O ' ' HA ' ' A' ' 58' ' ' MET . 28.0 mtpp -137.42 103.48 5.08 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.741 0.305 . . . . 1.96 111.196 -179.639 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.481 ' HB3' HD23 ' A' ' 8' ' ' LEU . 79.5 m-85 -107.07 118.48 36.81 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.845 -0.616 . . . . 0.54 109.645 176.476 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.439 HH11 ' HD3' ' A' ' 46' ' ' ARG . 1.6 ptm180 -146.4 167.74 22.86 Favored 'General case' 0 C--N 1.32 -0.696 0 C-N-CA 121.015 -0.274 . . . . 3.17 111.225 -179.457 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 48.6 m-80 -54.26 147.15 13.81 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.691 -0.686 . . . . 1.85 109.373 172.498 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.478 ' O ' ' N ' ' A' ' 50' ' ' SER . . . -62.93 105.22 0.64 Allowed 'General case' 0 CA--C 1.51 -0.569 0 N-CA-C 112.809 0.67 . . . . 0.87 112.809 -170.808 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 55.32 -72.35 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.553 0 O-C-N 124.927 1.392 . . . . 1.48 113.85 167.736 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.478 ' N ' ' O ' ' A' ' 48' ' ' ALA . 42.4 m -80.93 -24.85 37.9 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.909 -0.587 . . . . 2.37 110.234 -176.536 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 115.04 33.35 1.67 Allowed Glycine 0 N--CA 1.447 -0.598 0 CA-C-N 115.55 -0.75 . . . . 1.91 111.34 -178.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -89.28 143.89 31.58 Favored Pre-proline 0 N--CA 1.444 -0.765 0 CA-C-N 115.33 -0.435 . . . . 3.17 110.218 -175.622 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.442 ' C ' ' H ' ' A' ' 55' ' ' ARG . 98.5 Cg_endo -88.34 167.17 6.49 Favored 'Trans proline' 0 N--CA 1.457 -0.628 0 C-N-CA 122.721 2.28 . . . . 1.84 112.492 178.199 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 36.5 m-20 69.91 -3.86 1.62 Allowed 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 123.402 0.681 . . . . 2.44 111.051 176.734 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.442 ' H ' ' C ' ' A' ' 53' ' ' PRO . 11.2 mtt180 -148.5 131.7 16.43 Favored 'General case' 0 N--CA 1.444 -0.73 0 N-CA-C 107.732 -1.21 . . . . 4.1 107.732 173.456 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.632 ' CE1' ' HB2' ' A' ' 3' ' ' LEU . 80.4 m-85 -129.56 175.5 8.74 Favored 'General case' 0 C--N 1.314 -0.976 0 CA-C-O 121.343 0.592 . . . . 0.97 111.945 -169.709 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.47 ' OD2' ' HA ' ' A' ' 70' ' ' LYS . 14.7 t70 -124.45 137.29 54.45 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 114.852 -1.067 . . . . 1.1 109.027 -177.427 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.512 ' HA ' ' O ' ' A' ' 44' ' ' LYS . 9.9 tpt -137.75 128.0 26.15 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.953 0.406 . . . . 0.98 110.597 -175.756 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.535 ' HG3' ' O ' ' A' ' 67' ' ' THR . 39.1 tt0 -131.92 143.43 50.12 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 116.164 -0.471 . . . . 1.11 111.139 -175.642 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.478 ' HB2' ' OG1' ' A' ' 67' ' ' THR . 37.3 m-80 -122.84 90.47 3.3 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 108.957 -0.757 . . . . 1.17 108.957 178.368 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 61.9 tp -88.97 123.48 33.34 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 109.5 -0.556 . . . . 1.67 109.5 179.623 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.449 ' HA ' ' O ' ' A' ' 40' ' ' GLY . 38.8 p -128.94 -173.0 2.86 Favored 'General case' 0 N--CA 1.442 -0.859 0 N-CA-C 109.742 -0.466 . . . . 0.45 109.742 -176.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 33.9 p -81.43 -24.69 36.72 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-O 121.206 0.527 . . . . 0.54 111.202 -177.794 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.46 ' HG3' HG13 ' A' ' 35' ' ' VAL . 30.9 mmmt -114.96 -24.13 8.76 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.937 -0.574 . . . . 2.24 111.901 -174.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.563 ' HE2' ' O ' ' A' ' 83' ' ' LEU . 29.8 mmmt -130.85 -156.62 0.77 Allowed 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.434 0.635 . . . . 1.82 112.607 -168.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.458 ' H ' ' HB3' ' A' ' 65' ' ' LYS . 13.3 t70 173.33 142.4 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 114.228 -1.351 . . . . 2.12 109.036 -171.318 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.535 ' O ' ' HG3' ' A' ' 59' ' ' GLU . 5.3 p -152.1 136.92 17.11 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 108.54 -0.911 . . . . 0.56 108.54 173.654 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 8.1 t-160 -131.63 84.3 2.16 Favored 'General case' 0 C--N 1.316 -0.89 0 C-N-CA 120.459 -0.496 . . . . 1.95 109.724 -176.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 17.2 m-70 -73.04 85.73 1.31 Allowed 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 108.701 -0.852 . . . . 0.39 108.701 177.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.47 ' HA ' ' OD2' ' A' ' 57' ' ' ASP . 14.6 ptpt -89.65 122.92 33.24 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 120.992 0.425 . . . . 2.3 112.12 -175.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.434 ' OD1' ' HD3' ' A' ' 55' ' ' ARG . 38.9 t70 65.75 75.05 0.36 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 114.933 -1.031 . . . . 2.07 111.209 173.591 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 65.3 p-90 -128.32 159.02 36.59 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.791 -0.641 . . . . 0.43 110.305 176.22 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.513 ' O ' ' HB3' ' A' ' 76' ' ' GLU . . . -127.97 155.37 44.37 Favored 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 109.835 -0.432 . . . . 0.55 109.835 171.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.645 HD13 ' H ' ' A' ' 74' ' ' LEU . 0.0 OUTLIER -63.76 147.02 52.78 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.313 0.577 . . . . 1.71 109.931 171.9 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 73.55 6.74 71.9 Favored Glycine 0 C--N 1.313 -0.709 0 CA-C-N 115.501 -0.772 . . . . 0.59 111.9 -171.64 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.513 ' HB3' ' O ' ' A' ' 73' ' ' ALA . 34.6 tt0 -114.54 150.58 34.72 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-O 121.112 0.482 . . . . 2.37 110.541 -178.529 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.402 ' CD ' ' HD2' ' A' ' 89' ' ' LYS . 29.0 tt0 -131.32 123.53 28.5 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.239 -0.892 . . . . 1.4 109.36 -172.846 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 45.1 p90 -133.94 161.88 33.59 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.934 0.397 . . . . 0.57 111.644 -174.508 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 57.3 tt0 -84.84 134.57 34.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.679 -0.691 . . . . 1.95 109.504 175.631 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -143.48 155.77 44.45 Favored 'General case' 0 C--O 1.242 0.68 0 CA-C-O 120.812 0.339 . . . . 1.26 111.266 -170.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.427 ' HG3' ' OE1' ' A' ' 87' ' ' GLN . 28.0 tt0 -93.36 89.17 6.25 Favored 'General case' 0 N--CA 1.447 -0.581 0 N-CA-C 107.81 -1.181 . . . . 2.13 107.81 175.309 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.88 166.88 12.54 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 114.364 -1.289 . . . . 0.95 114.127 -164.765 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.563 ' O ' ' HE2' ' A' ' 65' ' ' LYS . 13.2 tp -71.98 -28.37 63.37 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 113.383 -1.735 . . . . 1.34 110.43 -174.844 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.476 ' HA ' H141 ' A' 1001 ' ' OLA . 10.3 p-10 -83.04 26.84 0.59 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.74 -0.664 . . . . 1.55 111.794 178.103 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 69.6 m 62.25 33.45 16.65 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 115.763 -0.653 . . . . 1.21 112.183 171.413 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 23.3 p -131.54 174.11 10.43 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.184 -0.462 . . . . 0.93 110.462 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.427 ' OE1' ' HG3' ' A' ' 81' ' ' GLU . 9.8 mm100 -120.45 101.84 8.05 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 108.852 -0.796 . . . . 1.88 108.852 179.204 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . 0.59 ' HB2' ' O ' ' A' ' 105' ' ' ILE . 16.3 p80 -147.03 177.05 9.46 Favored 'General case' 0 C--N 1.319 -0.749 0 C-N-CA 120.386 -0.526 . . . . 1.04 111.163 -175.488 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.402 ' HD2' ' CD ' ' A' ' 77' ' ' GLU . 55.7 pttt -85.63 153.97 22.01 Favored 'General case' 0 N--CA 1.442 -0.857 0 CA-C-O 121.184 0.516 . . . . 1.49 110.364 -174.726 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 52.1 mt -140.23 137.56 37.39 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.944 0 CA-C-N 115.238 -0.892 . . . . 0.54 110.113 -179.361 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 9.8 m -123.78 141.2 52.25 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.121 -0.49 . . . . 0.43 110.602 -179.534 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 52.7 m-85 -112.7 149.47 32.87 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 108.527 -0.916 . . . . 0.6 108.527 173.112 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -155.44 130.62 9.5 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 120.794 0.331 . . . . 1.69 111.023 178.341 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -82.05 106.04 13.64 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 108.206 -1.035 . . . . 1.12 108.206 174.252 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 52.4 tttm -85.2 -57.65 3.0 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 109.265 -0.642 . . . . 3.03 109.265 -172.366 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 37.6 m-20 -129.59 164.59 38.88 Favored Pre-proline 0 C--N 1.319 -0.74 0 N-CA-C 107.92 -1.141 . . . . 1.79 107.92 177.715 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 21.2 Cg_exo -66.79 8.16 0.36 Allowed 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.938 2.425 . . . . 0.98 113.097 -176.519 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -145.68 25.5 1.32 Allowed 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.321 -0.622 . . . . 2.32 109.321 174.731 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 22.0 m -151.51 103.81 3.01 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 121.198 0.523 . . . . 0.56 112.081 -179.715 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.484 ' HB3' ' HB2' ' A' ' 118' ' ' TYR . 18.9 tp -94.28 151.67 19.26 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 108.207 -1.035 . . . . 1.1 108.207 169.38 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 13.9 p -129.87 139.93 51.09 Favored 'General case' 0 C--N 1.322 -0.629 0 O-C-N 121.502 -0.749 . . . . 0.41 111.573 179.495 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.4 ' HB2' ' HE2' ' A' ' 118' ' ' TYR . 54.2 tt0 -117.21 108.33 15.53 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.172 -0.677 . . . . 1.31 109.172 175.559 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 93.6 m -102.17 118.99 38.05 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.039 -0.528 . . . . 0.51 110.839 -176.142 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . 0.443 ' HB3' ' CE1' ' A' ' 88' ' ' HIS . 9.8 m170 -99.98 121.93 42.11 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.835 -0.62 . . . . 1.69 109.788 179.372 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.59 ' O ' ' HB2' ' A' ' 88' ' ' HIS . 57.1 mt -124.14 118.97 55.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 121.206 0.527 . . . . 0.75 111.456 175.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.544 ' HA ' ' CB ' ' A' ' 88' ' ' HIS . 60.9 mttp -62.2 113.42 2.86 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 114.903 -1.044 . . . . 1.61 111.125 176.451 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 16.1 m -59.28 -22.2 21.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.224 -0.898 . . . . 1.32 112.029 178.782 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -86.57 -34.47 19.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.872 0.368 . . . . 2.5 110.662 179.702 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.416 ' O ' ' HB2' ' A' ' 106' ' ' LYS . 27.1 t70 -148.65 93.43 4.29 Favored Pre-proline 0 C--N 1.327 -0.375 0 CA-C-O 121.601 0.715 . . . . 2.39 109.778 178.387 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -75.31 9.39 2.16 Favored 'Trans proline' 0 C--N 1.33 -0.411 0 C-N-CA 123.223 2.615 . . . . 0.9 113.724 -173.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 33.3 p -85.54 -24.66 27.19 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.299 -0.56 . . . . 1.47 110.017 177.761 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -90.22 58.28 4.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.481 0.658 . . . . 1.59 109.988 176.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 7.2 p -61.86 155.47 4.56 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.248 0 CA-C-N 115.282 -0.872 . . . . 1.6 109.683 172.281 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -152.17 125.41 8.7 Favored 'General case' 0 C--N 1.313 -1.0 0 N-CA-C 109.177 -0.675 . . . . 2.78 109.177 -179.21 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 24.6 m -130.59 132.41 45.51 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 121.283 0.563 . . . . 0.53 111.408 -173.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 3.8 m-30 -112.95 157.18 21.8 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 106.556 -1.646 . . . . 0.96 106.556 170.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . 0.475 ' O ' ' HA ' ' A' ' 127' ' ' MET . 32.5 mt-10 -125.19 138.2 54.13 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 108.485 -0.931 . . . . 1.27 108.485 179.241 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . 0.484 ' HB2' ' HB3' ' A' ' 100' ' ' LEU . 97.8 m-85 -103.52 86.31 2.62 Favored 'General case' 0 C--N 1.313 -1.018 0 CA-C-O 121.061 0.457 . . . . 0.6 109.862 177.706 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -113.08 138.97 49.13 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 108.539 -0.912 . . . . 3.41 108.539 177.128 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . 0.426 ' HG2' ' HA ' ' A' ' 125' ' ' LEU . 13.7 mtp180 -104.15 140.79 37.3 Favored 'General case' 0 C--N 1.314 -0.967 0 C-N-CA 119.687 -0.805 . . . . 1.96 111.772 -175.26 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -92.85 -15.34 26.56 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 114.937 -1.029 . . . . 1.08 110.056 -178.745 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 145.62 -80.71 0.22 Allowed Glycine 0 N--CA 1.445 -0.722 0 N-CA-C 110.759 -0.937 . . . . 0.92 110.759 -177.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 -92.91 -21.17 19.99 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.065 0.46 . . . . 2.31 109.868 176.057 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . 0.667 ' CE2' ' HB3' ' A' ' 141' ' ' LYS . 95.6 m-85 -111.21 139.43 46.61 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-N 115.912 -0.586 . . . . 0.67 110.854 -175.715 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.426 ' HA ' ' HG2' ' A' ' 120' ' ' ARG . 0.3 OUTLIER -84.21 127.45 33.95 Favored 'General case' 0 N--CA 1.439 -0.991 0 N-CA-C 106.896 -1.52 . . . . 1.03 106.896 170.075 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 38.9 t -110.09 108.92 26.62 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.05 0 N-CA-C 109.53 -0.544 . . . . 0.47 109.53 -176.183 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' MET . . . . . 0.475 ' HA ' ' O ' ' A' ' 117' ' ' GLU . 20.5 ttm -80.92 122.83 27.73 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 115.295 -0.866 . . . . 1.08 109.048 176.5 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . 0.465 ' HB3' ' HB2' ' A' ' 117' ' ' GLU . 41.0 tptt -109.66 112.47 24.56 Favored 'General case' 0 C--N 1.316 -0.872 0 N-CA-C 109.267 -0.642 . . . . 2.2 109.267 -175.719 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' MET . . . . . 0.512 ' HB2' ' CG2' ' A' ' 136' ' ' THR . 30.7 mtp -121.63 125.0 45.66 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 109.118 -0.697 . . . . 1.11 109.118 -176.732 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 3.6 p -135.9 129.95 33.05 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.08 0.467 . . . . 1.06 111.65 -177.038 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' TRP . . . . . 0.572 ' CD1' ' HG2' ' A' ' 132' ' ' LYS . 52.9 t-105 -153.36 136.94 15.96 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.622 -0.717 . . . . 0.76 110.226 179.635 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . 0.572 ' HG2' ' CD1' ' A' ' 131' ' ' TRP . 75.7 mmtt 52.09 38.85 25.24 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 115.913 -0.585 . . . . 1.96 111.603 -177.458 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 81.88 -11.6 46.77 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 121.027 -0.606 . . . . 0.53 112.994 178.679 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 39.2 t -89.71 109.33 20.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 120.821 0.343 . . . . 0.43 110.393 -178.285 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -103.92 129.01 51.41 Favored 'General case' 0 N--CA 1.445 -0.692 0 CA-C-O 121.286 0.565 . . . . 1.14 111.248 177.782 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . 0.512 ' CG2' ' HB2' ' A' ' 129' ' ' MET . 6.9 t -119.21 141.79 48.59 Favored 'General case' 0 C--N 1.312 -1.024 0 CA-C-N 115.226 -0.897 . . . . 0.4 109.99 179.123 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 12.1 m -116.73 116.38 27.41 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.874 -0.603 . . . . 0.79 109.641 179.452 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . 0.55 ' NH2' HD11 ' A' ' 13' ' ' LEU . 29.5 mtp180 -103.47 133.05 49.17 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.728 -0.471 . . . . 1.84 109.728 179.231 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 86.6 m-85 -106.31 113.03 26.32 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.243 0.544 . . . . 0.64 110.858 -173.306 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 63.4 m-85 -110.42 132.51 54.12 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.284 -0.871 . . . . 0.6 110.699 179.646 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . 0.667 ' HB3' ' CE2' ' A' ' 124' ' ' TYR . 0.0 OUTLIER -118.87 160.63 21.57 Favored 'General case' 0 C--O 1.212 -0.908 0 N-CA-C 107.396 -1.335 . . . . 1.92 107.396 172.682 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . 0.576 ' O ' ' HD3' ' A' ' 141' ' ' LYS . 86.5 tttt -41.74 153.17 0.06 Allowed 'General case' 0 N--CA 1.477 0.906 0 CA-C-N 118.43 0.559 . . . . 2.13 112.378 -177.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . 0.478 ' HB2' HG23 ' A' ' 10' ' ' THR . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.026 0 O-C-N 120.598 -1.314 . . . . 1.46 111.029 168.819 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1001 ' ' OLA . . . . . 0.89 H182 ' H31' ' A' 1001 ' ' OLA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' -11' ' ' MET . . . . . . . . . . . . . 38.5 ttm . . . . . 0 N--CA 1.481 1.08 0 CA-C-O 120.562 0.22 . . . . 14.47 110.438 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' -10' ' ' ARG . . . . . . . . . . . . . 21.0 mmm180 -128.67 166.3 19.2 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.946 -0.39 . . . . 15.82 109.946 176.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' -9' ' ' GLY . . . . . . . . . . . . . . . 90.85 -108.91 3.62 Favored Glycine 0 N--CA 1.447 -0.619 0 C-N-CA 120.719 -0.753 . . . . 11.88 112.061 178.563 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' -8' ' ' SER . . . . . . . . . . . . . 21.2 m 61.99 -172.62 0.15 Allowed 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 122.551 0.341 . . . . 11.68 111.116 179.475 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' -7' ' ' HIS . . . . . . . . . . . . . 39.5 m-70 61.12 -158.75 0.33 Allowed 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 116.369 -0.378 . . . . 11.79 110.665 178.676 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' -6' ' ' HIS . . . . . . . . . . . . . 63.6 m80 72.46 -69.25 0.19 Allowed 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 123.017 0.527 . . . . 10.98 110.991 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' -5' ' ' HIS . . . . . . . . . . . . . 6.9 p80 -157.07 153.71 28.3 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 110.059 -0.349 . . . . 9.31 110.059 178.752 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' -4' ' ' HIS . . . . . . . . . . . . . 9.1 m80 62.67 89.41 0.09 Allowed 'General case' 0 N--CA 1.464 0.259 0 O-C-N 123.853 0.721 . . . . 10.54 110.396 -171.524 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' -3' ' ' HIS . . . . . . . . . . . . . 34.0 m-70 -70.04 83.39 0.51 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.707 -0.679 . . . . 8.73 111.134 -177.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 72.6 m-70 -118.37 101.04 7.87 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 116.188 -0.46 . . . . 7.06 110.426 176.211 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -69.72 -41.39 74.51 Favored Glycine 0 N--CA 1.448 -0.532 0 N-CA-C 110.691 -0.963 . . . . 3.5 110.691 174.623 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . 0.592 ' OG ' ' HB1' ' A' ' 73' ' ' ALA . 1.5 m -96.55 109.27 21.89 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.433 -0.384 . . . . 3.11 110.161 176.174 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 61.5 tttp -58.22 126.71 28.68 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 108.649 -0.871 . . . . 2.99 108.649 169.14 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.8 m -65.12 131.23 45.99 Favored 'General case' 0 C--N 1.313 -0.992 0 CA-C-N 116.126 -0.488 . . . . 0.99 110.619 -171.015 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.527 ' HB2' ' CZ ' ' A' ' 56' ' ' TYR . 1.0 OUTLIER -62.36 121.38 66.36 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 115.577 -0.738 . . . . 0.59 111.146 -175.413 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.51 ' HD2' HD23 ' A' ' 3' ' ' LEU . 32.0 Cg_exo -56.82 124.35 16.04 Favored 'Trans proline' 0 N--CA 1.46 -0.483 0 C-N-CA 122.592 2.195 . . . . 0.61 110.727 172.329 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.501 ' HA ' HD12 ' A' ' 8' ' ' LEU . 6.5 m-20 -50.42 -25.82 4.33 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 115.968 -0.56 . . . . 2.19 112.309 -178.566 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.479 ' HB3' ' HG3' ' A' ' 120' ' ' ARG . 74.5 mmtt -58.21 -25.64 61.87 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 112.153 0.427 . . . . 2.53 112.153 178.321 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.444 ' HZ ' ' C ' ' A' ' 98' ' ' ASN . 26.1 m-85 -94.21 -2.47 52.43 Favored 'General case' 0 C--O 1.226 -0.159 0 O-C-N 122.165 -0.335 . . . . 0.6 111.277 -178.692 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.501 HD12 ' HA ' ' A' ' 5' ' ' ASP . 97.5 mt -95.6 151.49 19.29 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.197 0.522 . . . . 0.46 111.422 -171.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 116.98 -176.18 16.08 Favored Glycine 0 N--CA 1.445 -0.747 0 CA-C-N 115.184 -0.917 . . . . 0.52 110.958 -176.62 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.616 HG23 ' HB2' ' A' ' 143' ' ' GLN . 14.7 t -114.06 141.12 47.86 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-O 121.142 0.496 . . . . 1.05 110.068 178.412 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.572 ' HA ' ' HA ' ' A' ' 142' ' ' LYS . 63.2 m-85 -129.73 130.77 45.87 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 115.771 -0.65 . . . . 0.47 111.637 -175.428 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.544 ' HG3' ' O ' ' A' ' 142' ' ' LYS . 0.0 OUTLIER -93.79 134.04 36.56 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-O 121.192 0.52 . . . . 2.19 109.905 169.011 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -57.12 123.46 15.33 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.224 -0.443 . . . . 1.14 110.43 177.494 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -99.1 -45.55 5.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.472 -0.331 . . . . 2.08 110.86 179.254 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 12.0 ptm180 -153.27 178.27 9.95 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.988 0.423 . . . . 3.36 111.06 179.383 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -153.15 153.12 32.15 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.638 -0.71 . . . . 1.19 109.751 -179.348 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 48.0 mm-40 -132.4 118.62 19.59 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.486 -0.324 . . . . 2.66 110.71 -178.267 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 5.3 t30 66.32 31.55 8.33 Favored 'General case' 0 N--CA 1.468 0.475 0 CA-C-O 122.02 0.914 . . . . 0.76 110.524 175.706 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.452 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 36.3 t80 -77.39 -40.49 43.55 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 114.987 -1.006 . . . . 0.49 110.229 -177.465 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -55.15 -53.43 56.04 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.118 -0.492 . . . . 2.04 110.371 175.779 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 22.9 mp0 -51.91 -45.92 64.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.604 -0.726 . . . . 1.79 111.45 176.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 90.6 t80 -60.16 -37.65 80.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.506 -0.316 . . . . 0.57 111.392 179.025 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.452 ' HG ' ' O ' ' A' ' 19' ' ' PHE . 95.2 mt -63.77 -38.54 91.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.004 0.43 . . . . 0.37 110.083 -179.113 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.449 ' HG2' ' NH1' ' A' ' 33' ' ' ARG . 52.6 mtpt -66.2 -47.56 73.5 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.848 -0.615 . . . . 1.88 110.003 177.396 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -55.33 -44.99 76.39 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.412 -0.813 . . . . 0.44 111.37 178.792 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 11.1 mmm180 -71.83 -3.8 24.31 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.274 0.472 . . . . 1.29 112.274 -178.131 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 88.21 25.37 31.43 Favored Glycine 0 N--CA 1.444 -0.817 0 C-N-CA 120.485 -0.864 . . . . 0.62 112.581 176.37 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 67.9 m-85 -89.2 123.99 33.95 Favored 'General case' 0 N--CA 1.448 -0.529 0 N-CA-C 109.316 -0.624 . . . . 0.64 109.316 173.647 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -77.46 -175.31 42.96 Favored Glycine 0 N--CA 1.444 -0.776 0 C-N-CA 120.515 -0.85 . . . . 1.54 111.003 178.682 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.45 ' HE3' HD12 ' A' ' 31' ' ' ILE . 78.0 t90 -54.4 -41.65 69.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 117.07 0.435 . . . . 1.18 111.006 -178.859 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.489 HD12 ' N ' ' A' ' 31' ' ' ILE . 2.1 mp -57.6 -54.65 28.51 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.527 0 CA-C-O 120.981 0.42 . . . . 2.16 110.383 -174.296 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.493 ' CE ' H132 ' A' 1001 ' ' OLA . 0.0 OUTLIER -66.38 -44.87 81.92 Favored 'General case' 0 N--CA 1.437 -1.076 0 CA-C-N 115.605 -0.725 . . . . 0.97 110.578 179.192 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.449 ' NH1' ' HG2' ' A' ' 24' ' ' LYS . 32.3 ttp180 -58.82 -31.52 68.55 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.25 -0.432 . . . . 1.87 110.645 -178.192 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.527 ' O ' HD23 ' A' ' 38' ' ' LEU . 0.8 OUTLIER -72.17 -49.62 34.19 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.86 -0.609 . . . . 1.97 109.753 177.077 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 55.6 t -68.25 -53.47 28.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.09 -0.504 . . . . 0.68 111.235 -174.589 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.634 ' HA ' ' H9 ' ' A' 1001 ' ' OLA . 94.0 mt -46.7 -40.88 4.83 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 114.917 -1.038 . . . . 0.51 113.53 179.336 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 50.8 mtmt -80.63 -12.17 59.54 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 120.671 -0.412 . . . . 0.97 111.722 -178.205 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.527 HD23 ' O ' ' A' ' 34' ' ' GLN . 4.1 mm? -91.19 7.7 39.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.231 0.538 . . . . 2.08 110.372 174.764 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.585 ' HA ' ' OG1' ' A' ' 63' ' ' THR . . . -103.55 108.33 19.55 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.839 -0.619 . . . . 1.03 111.324 -179.309 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.632 ' O ' ' HA ' ' A' ' 62' ' ' THR . . . -70.88 134.23 23.45 Favored Glycine 0 N--CA 1.449 -0.433 0 N-CA-C 110.412 -1.075 . . . . 0.84 110.412 171.685 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 41.0 t -114.9 126.94 72.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-O 120.989 0.424 . . . . 1.3 111.8 -170.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 53.7 m -116.22 119.06 34.54 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.678 -0.692 . . . . 0.45 110.754 176.253 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.605 ' HZ1' ' C1 ' ' A' 1001 ' ' OLA . 74.5 mmtt -92.39 144.62 25.19 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.692 -0.485 . . . . 0.79 109.692 176.672 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.526 ' O ' ' HA ' ' A' ' 58' ' ' MET . 68.2 mttm -140.09 102.01 4.29 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.595 0.236 . . . . 1.96 110.814 178.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 89.0 m-85 -105.64 129.92 53.78 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.829 -0.434 . . . . 0.54 109.829 177.24 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 39.1 ptt180 -159.8 172.87 16.89 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 120.89 0.376 . . . . 3.17 110.931 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 50.1 m-80 -65.39 154.04 39.55 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 108.77 -0.826 . . . . 1.85 108.77 172.484 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.448 ' HA ' ' HB2' ' A' ' 57' ' ' ASP . . . -51.91 131.19 30.91 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-O 121.139 0.495 . . . . 0.87 111.277 -176.071 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.17 -29.96 70.35 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 114.922 -1.035 . . . . 1.48 111.133 -172.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 35.2 p -64.1 -4.34 3.45 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 112.832 0.678 . . . . 2.37 112.832 175.128 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 75.53 18.97 79.64 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.7 -0.762 . . . . 1.91 112.421 -176.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 50.6 mtpt -90.02 134.85 30.94 Favored Pre-proline 0 C--N 1.326 -0.437 0 CA-C-O 120.68 0.276 . . . . 3.17 110.583 179.787 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.401 ' O ' ' HB3' ' A' ' 54' ' ' ASP . 71.7 Cg_endo -75.65 152.3 37.66 Favored 'Trans proline' 0 C--O 1.236 0.41 0 C-N-CA 122.977 2.451 . . . . 1.84 112.283 -178.509 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.401 ' HB3' ' O ' ' A' ' 53' ' ' PRO . 35.1 t70 83.9 -53.13 0.14 Allowed 'General case' 0 N--CA 1.469 0.48 0 O-C-N 124.187 0.929 . . . . 2.44 109.374 176.101 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.426 ' HD3' ' OD1' ' A' ' 71' ' ' ASP . 69.6 mtt180 -61.68 149.17 40.32 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.026 -0.988 . . . . 4.1 111.93 172.35 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.527 ' CZ ' ' HB2' ' A' ' 3' ' ' LEU . 80.2 m-85 -125.63 174.34 8.34 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.657 -0.701 . . . . 0.97 110.13 174.818 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.448 ' HB2' ' HA ' ' A' ' 48' ' ' ALA . 30.0 t70 -132.17 135.86 46.66 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.441 -0.577 . . . . 1.1 109.441 -178.66 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.526 ' HA ' ' O ' ' A' ' 44' ' ' LYS . 10.9 tpt -138.79 132.31 30.42 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 120.584 0.231 . . . . 0.98 111.27 -174.025 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.414 ' HG3' ' O ' ' A' ' 67' ' ' THR . 44.0 tt0 -130.72 145.63 51.99 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.048 0.451 . . . . 1.11 111.613 -179.109 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.489 ' HB2' ' OG1' ' A' ' 67' ' ' THR . 27.7 m-80 -126.45 106.1 9.23 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 115.661 -0.699 . . . . 1.17 109.265 176.423 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 92.1 mt -100.99 136.13 41.32 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.514 -0.312 . . . . 1.67 110.368 178.149 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.632 ' HA ' ' O ' ' A' ' 40' ' ' GLY . 48.2 p -137.74 -173.31 3.46 Favored 'General case' 0 N--CA 1.447 -0.591 0 N-CA-C 108.886 -0.783 . . . . 0.45 108.886 178.783 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.585 ' OG1' ' HA ' ' A' ' 39' ' ' ALA . 52.7 p -93.23 -7.94 43.7 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.057 0.456 . . . . 0.54 111.139 -179.004 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 47.7 mmtm -124.63 -12.45 7.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.299 -0.409 . . . . 2.24 111.968 -177.258 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.44 ' HB3' ' H ' ' A' ' 66' ' ' ASP . 0.0 OUTLIER -140.76 -156.15 0.65 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.917 0.389 . . . . 1.82 111.354 -176.867 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.44 ' H ' ' HB3' ' A' ' 65' ' ' LYS . 5.8 p-10 168.07 114.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 114.91 -1.041 . . . . 2.12 109.626 -172.124 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.489 ' OG1' ' HB2' ' A' ' 60' ' ' ASN . 51.7 p -135.21 143.76 46.57 Favored 'General case' 0 C--N 1.315 -0.912 0 N-CA-C 109.724 -0.473 . . . . 0.56 109.724 -177.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.409 ' CD2' ' HE2' ' A' ' 70' ' ' LYS . 3.4 t60 -146.77 100.43 3.32 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.375 0.607 . . . . 1.95 111.014 -177.299 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 25.4 m-70 -79.98 88.82 5.33 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.66 -0.7 . . . . 0.39 109.55 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.409 ' HE2' ' CD2' ' A' ' 68' ' ' HIS . 0.0 OUTLIER -76.5 123.87 26.7 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 112.043 0.386 . . . . 2.3 112.043 179.073 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.426 ' OD1' ' HD3' ' A' ' 55' ' ' ARG . 0.7 OUTLIER 66.33 64.77 0.5 Allowed 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 115.411 -0.813 . . . . 2.07 112.213 170.781 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 68.5 p-90 -109.91 147.13 33.98 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 110.072 -0.344 . . . . 0.43 110.072 176.548 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.592 ' HB1' ' OG ' ' A' ' 0' ' ' SER . . . -118.39 147.68 43.29 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.602 0.239 . . . . 0.55 110.772 178.336 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.453 HD21 ' HG ' ' A' ' 3' ' ' LEU . 3.0 mm? -55.42 128.29 33.62 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.092 0.472 . . . . 1.71 111.202 172.519 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 83.68 13.12 76.33 Favored Glycine 0 N--CA 1.445 -0.759 0 CA-C-N 115.409 -0.814 . . . . 0.59 112.289 -178.793 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -105.84 151.26 24.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.292 0.567 . . . . 2.37 111.185 -178.598 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -127.16 116.29 20.42 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.14 -0.936 . . . . 1.4 109.309 -178.439 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 44.0 p90 -136.4 159.44 41.76 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 116.356 -0.384 . . . . 0.57 110.186 -175.063 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 24.6 tt0 -95.75 136.15 36.54 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.132 -0.692 . . . . 1.95 109.132 177.289 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.457 ' O ' ' HA ' ' A' ' 87' ' ' GLN . 23.2 t70 -159.76 166.04 31.24 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 120.841 -0.344 . . . . 1.26 110.349 -175.1 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.505 ' CB ' ' HG2' ' A' ' 87' ' ' GLN . 33.3 tt0 -89.06 111.18 21.86 Favored 'General case' 0 CA--C 1.512 -0.513 0 N-CA-C 109.508 -0.553 . . . . 2.13 109.508 -178.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.488 ' HB2' HD11 ' A' ' 90' ' ' ILE . . . -94.54 176.45 6.28 Favored 'General case' 0 C--N 1.308 -1.196 0 CA-C-N 115.112 -0.949 . . . . 0.95 112.883 -176.483 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -55.68 -29.34 59.19 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.285 -0.416 . . . . 1.34 111.236 -178.47 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.423 ' HA ' H142 ' A' 1001 ' ' OLA . 14.3 p-10 -78.75 22.05 0.38 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.333 -0.394 . . . . 1.55 111.618 -177.442 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 15.8 m 76.15 -24.13 0.23 Allowed 'General case' 0 N--CA 1.466 0.367 0 N-CA-C 113.228 0.825 . . . . 1.21 113.228 166.663 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 22.9 p -95.61 169.22 10.18 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.145 0.498 . . . . 0.93 111.039 -179.461 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.505 ' HG2' ' CB ' ' A' ' 81' ' ' GLU . 16.3 mt-30 -113.86 119.03 35.9 Favored 'General case' 0 N--CA 1.44 -0.962 0 N-CA-C 108.456 -0.942 . . . . 1.88 108.456 177.365 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . 0.879 ' HA ' HG13 ' A' ' 107' ' ' VAL . 6.1 p80 -146.45 176.79 9.54 Favored 'General case' 0 C--N 1.309 -1.186 0 CA-C-N 115.835 -0.62 . . . . 1.04 111.59 -170.074 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.434 ' HB3' ' HB ' ' A' ' 105' ' ' ILE . 40.6 ttmt -61.86 131.5 49.98 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 114.974 -1.012 . . . . 1.49 110.305 178.69 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.488 HD11 ' HB2' ' A' ' 82' ' ' ALA . 71.3 mt -137.8 133.35 44.98 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.82 0 CA-C-N 115.917 -0.583 . . . . 0.54 110.223 178.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 46.2 m -118.24 129.11 55.29 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 116.312 -0.403 . . . . 0.43 110.596 176.652 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -105.72 123.05 47.31 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 108.417 -0.957 . . . . 0.6 108.417 173.242 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -154.24 147.61 24.96 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-O 120.626 0.251 . . . . 1.69 110.485 -171.541 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.414 ' CD2' ' HG ' ' A' ' 100' ' ' LEU . 1.2 mt -92.12 116.1 28.64 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.287 -0.634 . . . . 1.12 109.287 173.585 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 44.5 tttm -83.53 -44.8 14.27 Favored 'General case' 0 C--N 1.317 -0.808 0 N-CA-C 108.342 -0.984 . . . . 3.03 108.342 -178.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -126.23 163.76 38.04 Favored Pre-proline 0 C--N 1.319 -0.752 0 N-CA-C 107.31 -1.367 . . . . 1.79 107.31 173.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 16.3 Cg_exo -69.18 4.87 1.7 Allowed 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.871 2.381 . . . . 0.98 112.141 -177.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . 0.444 ' C ' ' HZ ' ' A' ' 7' ' ' PHE . 26.1 p-10 -145.96 27.39 1.18 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.594 -0.73 . . . . 2.32 110.243 -179.593 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 60.2 m -151.91 110.0 3.71 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.131 0.491 . . . . 0.56 111.139 178.248 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.414 ' HG ' ' CD2' ' A' ' 94' ' ' LEU . 0.8 OUTLIER -84.01 144.42 29.13 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.166 -1.05 . . . . 1.1 108.166 174.848 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 6.7 p -126.74 134.36 50.65 Favored 'General case' 0 C--N 1.319 -0.752 0 O-C-N 121.632 -0.668 . . . . 0.41 111.079 177.248 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -115.33 100.56 8.2 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.994 -0.743 . . . . 1.31 108.994 177.013 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 38.5 m -96.42 121.14 37.91 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.419 -0.355 . . . . 0.51 110.387 -175.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . 0.636 ' HB3' ' CE1' ' A' ' 88' ' ' HIS . 1.7 m80 -106.74 121.66 44.82 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.561 -0.29 . . . . 1.69 110.547 -178.063 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.593 ' O ' ' HB2' ' A' ' 88' ' ' HIS . 22.4 mt -116.27 112.32 39.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-O 121.061 0.457 . . . . 0.75 109.931 173.34 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.508 ' HA ' ' CB ' ' A' ' 88' ' ' HIS . 55.1 mttm -63.79 128.76 37.27 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.542 -0.754 . . . . 1.61 111.365 -178.221 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.879 HG13 ' HA ' ' A' ' 88' ' ' HIS . 29.3 m -58.1 -32.95 45.37 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.305 0 CA-C-N 114.418 -1.264 . . . . 1.32 111.189 179.644 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -84.2 -56.46 3.64 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.299 -0.864 . . . . 2.5 110.358 -178.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.449 ' O ' ' HB2' ' A' ' 106' ' ' LYS . 59.2 m-20 -118.72 92.08 43.61 Favored Pre-proline 0 CA--C 1.517 -0.324 0 CA-C-O 121.181 0.515 . . . . 2.39 110.996 178.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.405 ' HD2' ' HA ' ' A' ' 109' ' ' ASP . 57.4 Cg_endo -71.54 -5.69 17.58 Favored 'Trans proline' 0 N--CA 1.462 -0.37 0 C-N-CA 122.983 2.456 . . . . 0.9 111.207 175.303 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 25.7 p -79.63 -25.33 41.43 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-N 115.05 -0.977 . . . . 1.47 110.446 175.589 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . 0.48 ' OD1' ' HE3' ' A' ' 106' ' ' LYS . 34.6 t70 -106.29 58.88 0.65 Allowed 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.52 0.676 . . . . 1.59 110.247 -178.749 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.417 HG12 HG12 ' A' ' 105' ' ' ILE . 13.2 m -67.94 179.29 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.543 -0.753 . . . . 1.6 111.993 176.466 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 59.5 tt0 -171.39 141.2 1.52 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.65 -0.705 . . . . 2.78 109.348 177.179 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 87.5 m -137.25 133.91 35.6 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.248 0.546 . . . . 0.53 111.893 -176.412 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 6.2 m-30 -108.18 160.49 15.78 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 107.219 -1.401 . . . . 0.96 107.219 171.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . 0.588 ' O ' ' HA ' ' A' ' 127' ' ' MET . 11.4 pt-20 -141.63 138.42 32.54 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 118.997 0.817 . . . . 1.27 109.517 177.03 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 95.7 m-85 -108.69 108.51 19.39 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.106 -0.497 . . . . 0.6 110.915 -176.285 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 12.9 ptm180 -118.12 169.11 9.95 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.991 -0.374 . . . . 3.41 109.991 175.015 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . 0.479 ' HG3' ' HB3' ' A' ' 6' ' ' LYS . 6.5 mmm180 -117.96 106.97 13.49 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 120.934 0.397 . . . . 1.96 111.702 -179.113 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -114.64 97.45 6.29 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.002 -0.544 . . . . 1.08 109.778 179.213 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 80.68 -127.22 7.8 Favored Glycine 0 N--CA 1.445 -0.719 0 C-N-CA 120.901 -0.666 . . . . 0.92 111.807 -178.318 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 37.3 m-20 -102.49 14.23 32.49 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.798 0.332 . . . . 2.31 110.845 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . 0.499 ' CE2' ' HE3' ' A' ' 141' ' ' LYS . 71.4 m-85 -122.03 141.85 50.94 Favored 'General case' 0 CA--C 1.51 -0.585 0 CA-C-N 116.313 -0.403 . . . . 0.67 110.498 -176.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 28.8 tp -81.31 121.69 26.5 Favored 'General case' 0 N--CA 1.439 -1.014 0 N-CA-C 107.369 -1.345 . . . . 1.03 107.369 171.088 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 46.5 t -113.62 114.92 48.21 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.071 0 CA-C-O 121.54 0.686 . . . . 0.47 109.984 -172.731 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' MET . . . . . 0.588 ' HA ' ' O ' ' A' ' 117' ' ' GLU . 9.6 ttm -95.7 142.68 27.71 Favored 'General case' 0 C--N 1.309 -1.153 0 CA-C-N 114.785 -1.098 . . . . 1.08 109.682 178.226 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . 0.534 ' HB3' ' CG ' ' A' ' 117' ' ' GLU . 59.1 tttp -122.59 132.68 54.41 Favored 'General case' 0 C--N 1.312 -1.056 0 N-CA-C 108.853 -0.795 . . . . 2.2 108.853 175.75 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' MET . . . . . 0.448 ' HB2' ' CG2' ' A' ' 136' ' ' THR . 43.1 mtp -128.61 121.42 28.63 Favored 'General case' 0 C--N 1.317 -0.821 0 N-CA-C 107.815 -1.18 . . . . 1.11 107.815 179.016 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 1.6 m -132.95 137.1 46.47 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 120.389 -0.524 . . . . 1.06 111.713 -174.289 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' TRP . . . . . 0.473 ' CD1' ' HG3' ' A' ' 132' ' ' LYS . 61.6 t-105 -150.36 127.46 11.22 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.453 -0.794 . . . . 0.76 109.99 177.633 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . 0.473 ' HG3' ' CD1' ' A' ' 131' ' ' TRP . 56.8 mtmt 54.68 39.07 31.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.963 -0.562 . . . . 1.96 111.595 -176.47 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 82.72 -31.25 3.05 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.84 -0.695 . . . . 0.53 112.74 -178.62 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 61.1 t -68.98 123.02 21.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 N-CA-C 109.832 -0.432 . . . . 0.43 109.832 178.785 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 22.5 t -131.75 161.61 32.45 Favored 'General case' 0 N--CA 1.444 -0.755 0 CA-C-O 121.696 0.76 . . . . 1.14 111.438 -176.235 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . 0.448 ' CG2' ' HB2' ' A' ' 129' ' ' MET . 4.3 t -138.42 139.88 39.09 Favored 'General case' 0 C--N 1.309 -1.159 0 CA-C-N 114.357 -1.292 . . . . 0.4 110.317 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 3.3 m -106.09 116.71 32.41 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.078 -0.51 . . . . 0.79 109.683 177.238 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . 0.542 ' HB2' ' HB3' ' A' ' 127' ' ' MET . 20.4 mmm180 -99.97 115.2 29.13 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 115.6 -0.727 . . . . 1.84 109.607 -178.128 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 92.6 m-85 -95.79 105.7 17.74 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.178 0.513 . . . . 0.64 110.854 -177.212 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 140' ' ' TYR . . . . . 0.401 ' OH ' ' O1 ' ' A' 1001 ' ' OLA . 76.3 m-85 -100.7 119.12 38.13 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 115.534 -0.757 . . . . 0.6 111.305 -178.459 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . 0.499 ' HE3' ' CE2' ' A' ' 124' ' ' TYR . 2.4 tppp? -95.62 147.84 23.16 Favored 'General case' 0 N--CA 1.432 -1.352 0 N-CA-C 107.007 -1.479 . . . . 1.92 107.007 176.652 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . 0.572 ' HA ' ' HA ' ' A' ' 11' ' ' PHE . 56.3 mtpt -48.71 163.59 0.08 Allowed 'General case' 0 N--CA 1.475 0.776 0 CA-C-N 119.467 1.03 . . . . 2.13 111.901 175.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . 0.616 ' HB2' HG23 ' A' ' 10' ' ' THR . 40.3 mm-40 . . . . . 0 C--O 1.25 1.124 0 O-C-N 121.216 -0.927 . . . . 1.46 110.416 164.032 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1001 ' ' OLA . . . . . 0.634 ' H9 ' ' HA ' ' A' ' 36' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' -11' ' ' MET . . . . . . . . . . . . . 23.9 mmt . . . . . 0 N--CA 1.482 1.161 0 CA-C-O 120.794 0.331 . . . . 14.47 110.757 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' -10' ' ' ARG . . . . . . . . . . . . . 78.6 mtt180 -73.43 132.13 42.61 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.382 -0.372 . . . . 15.82 110.134 -179.447 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' -9' ' ' GLY . . . . . . . . . . . . . . . 103.19 -72.4 0.28 Allowed Glycine 0 N--CA 1.45 -0.409 0 N-CA-C 111.294 -0.722 . . . . 11.88 111.294 -175.432 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' -8' ' ' SER . . . . . . . . . . . . . 47.4 t 71.68 -51.82 0.69 Allowed 'General case' 0 N--CA 1.468 0.463 0 N-CA-C 113.285 0.846 . . . . 11.68 113.285 172.587 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' -7' ' ' HIS . . . . . . . . . . . . . 7.8 t-80 -59.56 -51.66 68.9 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 122.247 0.219 . . . . 11.79 111.318 -173.396 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' -6' ' ' HIS . . . . . . . . . . . . . 40.1 m80 52.27 68.12 0.87 Allowed 'General case' 0 N--CA 1.466 0.356 0 O-C-N 123.504 0.502 . . . . 10.98 111.45 178.707 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' -5' ' ' HIS . . . . . . . . . . . . . 30.0 t-80 -144.47 68.47 1.26 Allowed 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 121.23 0.538 . . . . 9.31 110.004 178.734 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' -4' ' ' HIS . . . . . . . . . . . . . 19.1 t60 -127.78 -14.87 5.03 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.848 -0.614 . . . . 10.54 110.747 -179.617 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' -3' ' ' HIS . . . . . . . . . . . . . 5.1 p-80 -144.25 33.51 1.2 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.225 0.536 . . . . 8.73 110.508 177.614 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 63.6 t60 -144.68 68.0 1.25 Allowed 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.812 -0.631 . . . . 7.06 109.595 179.412 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -110.14 -82.9 1.37 Allowed Glycine 0 N--CA 1.441 -0.981 0 C-N-CA 120.472 -0.87 . . . . 3.5 111.327 178.613 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . 0.617 ' OG ' ' HB1' ' A' ' 73' ' ' ALA . 2.1 m -101.35 146.03 28.13 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-O 120.7 0.286 . . . . 3.11 110.268 -178.817 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.446 ' HB2' HD22 ' A' ' 74' ' ' LEU . 87.3 mttt -63.45 133.15 53.45 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 107.382 -1.34 . . . . 2.99 107.382 170.018 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -77.43 122.95 25.88 Favored 'General case' 0 C--N 1.315 -0.925 0 C-N-CA 119.909 -0.717 . . . . 0.99 110.165 -175.75 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.47 ' HB2' ' CE1' ' A' ' 56' ' ' TYR . 0.9 OUTLIER -57.06 122.34 52.71 Favored Pre-proline 0 C--N 1.325 -0.487 0 CA-C-N 115.857 -0.61 . . . . 0.59 110.856 -179.42 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.46 ' HD2' HD23 ' A' ' 3' ' ' LEU . 48.5 Cg_exo -56.02 127.04 24.41 Favored 'Trans proline' 0 N--CA 1.463 -0.323 0 C-N-CA 122.792 2.328 . . . . 0.61 111.035 173.04 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.469 ' HA ' HD12 ' A' ' 8' ' ' LEU . 5.5 p-10 -56.16 -23.97 38.28 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.188 -0.46 . . . . 2.19 112.206 -176.682 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 15.5 pttm -67.98 -11.46 58.9 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.352 0.501 . . . . 2.53 112.352 177.16 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.455 ' CE1' ' HG2' ' A' ' 120' ' ' ARG . 22.7 m-85 -95.49 -5.31 43.21 Favored 'General case' 0 CA--C 1.519 -0.228 0 O-C-N 121.839 -0.538 . . . . 0.6 110.481 175.62 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.531 HD23 ' HB3' ' A' ' 45' ' ' PHE . 78.4 mt -97.52 145.59 26.07 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.159 0.504 . . . . 0.46 111.036 -171.449 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 133.82 172.81 13.01 Favored Glycine 0 N--CA 1.449 -0.497 0 CA-C-N 115.255 -0.884 . . . . 0.52 111.59 -176.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.428 HG23 ' HB3' ' A' ' 44' ' ' LYS . 14.6 m -102.41 122.84 45.1 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.605 -0.517 . . . . 1.05 109.605 175.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.43 ' HA ' ' HA ' ' A' ' 142' ' ' LYS . 79.3 m-85 -116.76 134.64 54.55 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 112.234 0.457 . . . . 0.47 112.234 -172.714 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.684 ' HB3' ' NE2' ' A' ' 143' ' ' GLN . 19.7 ptpt -88.46 -161.29 0.72 Allowed 'General case' 0 N--CA 1.466 0.366 0 C-N-CA 120.49 -0.484 . . . . 2.19 109.79 165.126 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.447 HD12 ' CE1' ' A' ' 140' ' ' TYR . 7.2 tt -138.59 127.01 23.1 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 108.559 -0.904 . . . . 1.14 108.559 -174.854 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.421 ' HB2' ' HE3' ' A' ' 141' ' ' LYS . 42.8 tt0 -99.04 -48.49 4.85 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 121.104 -0.239 . . . . 2.08 111.444 -175.752 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 15.0 ptm180 -157.56 -173.65 4.5 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.967 0.413 . . . . 3.36 111.185 -176.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -167.06 161.82 15.05 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.565 -0.743 . . . . 1.19 109.513 -177.674 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 59.2 mm-40 -140.36 134.89 31.54 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 123.133 0.27 . . . . 2.66 111.023 -175.544 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 57.1 t30 67.83 25.66 7.84 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-O 121.74 0.781 . . . . 0.76 111.234 173.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.406 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 24.3 t80 -74.63 -41.47 60.31 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.443 -0.799 . . . . 0.49 111.117 -173.587 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -54.31 -55.29 29.79 Favored 'General case' 0 CA--C 1.516 -0.341 0 CA-C-O 120.582 0.229 . . . . 2.04 111.243 176.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -56.96 -37.71 71.96 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.036 -0.529 . . . . 1.79 111.174 -178.684 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 53.6 t80 -61.91 -43.21 99.32 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 120.824 -0.35 . . . . 0.57 110.943 174.127 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.406 ' HG ' ' O ' ' A' ' 19' ' ' PHE . 94.6 mt -63.34 -41.86 98.91 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.98 0.419 . . . . 0.37 110.298 -178.42 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -65.08 -43.33 92.48 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.7 -0.682 . . . . 1.88 110.2 179.637 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.44 -39.68 76.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.657 -0.701 . . . . 0.44 111.014 175.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.456 ' NH1' ' HB2' ' A' ' 114' ' ' GLU . 12.5 mmm180 -69.91 -17.77 63.35 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.712 -0.677 . . . . 1.29 111.267 178.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 96.93 12.01 51.25 Favored Glycine 0 N--CA 1.446 -0.694 0 C-N-CA 120.781 -0.723 . . . . 0.62 112.393 -179.709 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 58.1 m-85 -73.91 123.51 24.39 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.937 0.399 . . . . 0.64 110.17 178.735 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -77.38 -173.69 39.93 Favored Glycine 0 N--CA 1.443 -0.875 0 C-N-CA 120.732 -0.746 . . . . 1.54 112.343 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.574 ' O ' ' HG2' ' A' ' 34' ' ' GLN . 83.8 t90 -54.95 -51.34 66.45 Favored 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 122.465 0.306 . . . . 1.18 111.566 -176.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 1.3 mm -54.36 -52.07 42.76 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.208 0 CA-C-O 120.823 0.344 . . . . 2.16 111.772 -178.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.408 ' HE1' H121 ' A' 1001 ' ' OLA . 0.0 OUTLIER -56.8 -44.89 82.39 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.147 -0.479 . . . . 0.97 110.71 179.513 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 47.5 mtm105 -63.68 -25.84 68.39 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 121.096 -0.242 . . . . 1.87 111.105 179.236 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.696 ' O ' HD23 ' A' ' 38' ' ' LEU . 26.1 mm-40 -76.67 -39.19 52.96 Favored 'General case' 0 C--O 1.223 -0.295 0 CA-C-O 120.796 0.331 . . . . 1.97 110.629 178.366 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.468 ' CG1' ' HG2' ' A' ' 64' ' ' LYS . 70.6 t -75.92 -63.77 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-O 121.149 0.5 . . . . 0.68 110.97 -179.191 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.573 ' HA ' ' H9 ' ' A' 1001 ' ' OLA . 83.8 mt -42.74 -45.76 1.18 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.445 0 C-N-CA 124.45 1.1 . . . . 0.51 113.685 -179.202 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 46.4 mtmt -78.42 -23.44 46.68 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.524 0.565 . . . . 0.97 112.524 -174.309 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.696 HD23 ' O ' ' A' ' 34' ' ' GLN . 4.6 mm? -85.79 -28.15 24.72 Favored 'General case' 0 C--N 1.321 -0.667 0 C-N-CA 120.762 -0.375 . . . . 2.08 111.038 -177.059 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.483 ' HA ' ' OG1' ' A' ' 63' ' ' THR . . . -65.64 122.76 17.99 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.087 -0.506 . . . . 1.03 111.166 176.506 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.434 ' H ' HG23 ' A' ' 63' ' ' THR . . . -76.11 150.96 39.79 Favored Glycine 0 N--CA 1.448 -0.517 0 N-CA-C 110.543 -1.023 . . . . 0.84 110.543 174.237 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.445 ' HA ' HG22 ' A' ' 62' ' ' THR . 40.9 t -124.7 126.83 72.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 117.376 0.588 . . . . 1.3 111.939 -173.254 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 23.2 m -116.24 113.45 23.04 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.319 -0.855 . . . . 0.45 109.691 174.526 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.5 ' HE2' ' CE ' ' A' ' 127' ' ' MET . 49.1 mttp -109.22 139.46 44.11 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.978 -0.379 . . . . 0.79 109.978 178.7 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.428 ' HB3' HG23 ' A' ' 10' ' ' THR . 15.8 ptmt -140.9 134.8 30.55 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-O 121.135 0.493 . . . . 1.96 111.529 -175.382 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.531 ' HB3' HD23 ' A' ' 8' ' ' LEU . 59.5 m-85 -121.22 140.53 51.9 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.071 -0.968 . . . . 0.54 109.53 176.146 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.416 ' HG3' ' HB3' ' A' ' 57' ' ' ASP . 36.7 ptt180 -164.98 173.92 11.05 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 116.313 -0.403 . . . . 3.17 110.564 -176.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 19.0 m120 -64.33 160.49 18.75 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.536 -0.756 . . . . 1.85 108.986 171.316 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -48.7 146.36 3.16 Favored 'General case' 0 N--CA 1.464 0.27 0 N-CA-C 112.388 0.514 . . . . 0.87 112.388 -174.616 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -43.05 -64.07 0.69 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.558 -0.746 . . . . 1.48 112.57 -176.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 65.2 m -63.01 -40.24 97.17 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.826 0.822 . . . . 2.37 109.879 177.681 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 122.15 31.0 1.13 Allowed Glycine 0 N--CA 1.446 -0.658 0 CA-C-N 114.963 -1.017 . . . . 1.91 112.057 176.654 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 29.3 mtpp -69.07 143.11 93.88 Favored Pre-proline 0 C--N 1.323 -0.56 0 N-CA-C 109.577 -0.527 . . . . 3.17 109.577 177.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.513 ' O ' ' HB3' ' A' ' 54' ' ' ASP . 87.9 Cg_endo -76.31 142.56 24.15 Favored 'Trans proline' 0 C--O 1.239 0.563 0 C-N-CA 122.509 2.139 . . . . 1.84 111.665 179.625 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.513 ' HB3' ' O ' ' A' ' 53' ' ' PRO . 21.9 t70 83.49 -52.88 0.15 Allowed 'General case' 0 N--CA 1.465 0.279 0 O-C-N 124.302 1.002 . . . . 2.44 109.395 178.237 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.448 ' HD2' ' HB2' ' A' ' 73' ' ' ALA . 14.6 mmm180 -64.32 135.95 56.69 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.745 -0.661 . . . . 4.1 110.977 172.788 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.47 ' CE1' ' HB2' ' A' ' 3' ' ' LEU . 57.0 m-85 -116.88 176.94 4.89 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 115.75 -0.659 . . . . 0.97 110.72 179.816 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.416 ' HB3' ' HG3' ' A' ' 46' ' ' ARG . 15.2 t70 -135.32 139.24 44.16 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.52 -0.548 . . . . 1.1 109.52 179.291 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.414 ' HG3' ' CE2' ' A' ' 45' ' ' PHE . 1.6 tmt? -142.16 141.84 32.67 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.229 -0.656 . . . . 0.98 109.229 -178.403 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.408 ' HG3' ' O ' ' A' ' 67' ' ' THR . 50.0 tt0 -144.35 148.83 35.23 Favored 'General case' 0 C--N 1.322 -0.598 0 C-N-CA 120.568 -0.453 . . . . 1.11 111.977 -174.324 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.474 ' OD1' ' HG2' ' A' ' 43' ' ' LYS . 43.4 m-80 -123.84 109.01 13.1 Favored 'General case' 0 CA--C 1.515 -0.385 0 CA-C-N 115.395 -0.821 . . . . 1.17 109.865 179.371 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 80.6 mt -108.72 124.99 51.43 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 110.069 -0.345 . . . . 1.67 110.069 177.172 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.445 HG22 ' HA ' ' A' ' 41' ' ' VAL . 42.6 p -131.21 -175.65 3.76 Favored 'General case' 0 N--CA 1.445 -0.701 0 N-CA-C 109.077 -0.712 . . . . 0.45 109.077 -179.595 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.483 ' OG1' ' HA ' ' A' ' 39' ' ' ALA . 25.0 p -84.16 -27.68 27.93 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-O 121.245 0.545 . . . . 0.54 110.721 179.622 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.468 ' HG2' ' CG1' ' A' ' 35' ' ' VAL . 23.4 tptp -105.21 -22.0 13.15 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.805 -0.634 . . . . 2.24 111.249 -173.026 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.465 ' HB3' ' H ' ' A' ' 66' ' ' ASP . 57.1 mmtt -142.14 -157.43 0.77 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.862 0.363 . . . . 1.82 111.543 -172.155 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.465 ' H ' ' HB3' ' A' ' 65' ' ' LYS . 6.1 p-10 168.17 132.4 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.141 -0.936 . . . . 2.12 109.488 -170.55 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.454 ' OG1' ' HB2' ' A' ' 60' ' ' ASN . 71.9 p -142.62 154.87 44.78 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 108.971 -0.752 . . . . 0.56 108.971 173.673 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 8.8 t-160 -142.61 99.34 3.47 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.035 0.445 . . . . 1.95 110.473 -178.392 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.463 ' CD2' ' HZ ' ' A' ' 92' ' ' PHE . 31.6 m-70 -77.11 84.55 3.6 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 108.659 -0.867 . . . . 0.39 108.659 175.149 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.452 ' H ' ' HG2' ' A' ' 70' ' ' LYS . 11.5 ptpt -80.24 123.27 27.8 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.015 -0.539 . . . . 2.3 112.355 -175.344 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.45 ' HA ' ' O ' ' A' ' 56' ' ' TYR . 6.5 p-10 46.91 69.56 0.48 Allowed 'General case' 0 N--CA 1.472 0.67 0 CA-C-N 114.585 -1.189 . . . . 2.07 112.619 175.115 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' TRP . . . . . 0.403 ' HE1' ' N ' ' A' ' 58' ' ' MET . 62.9 p-90 -104.8 150.44 24.79 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.09 -0.959 . . . . 0.43 109.785 176.175 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.617 ' HB1' ' OG ' ' A' ' 0' ' ' SER . . . -100.15 142.02 32.2 Favored 'General case' 0 C--N 1.314 -0.943 0 N-CA-C 109.776 -0.453 . . . . 0.55 109.776 174.34 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.76 HD11 HD23 ' A' ' 94' ' ' LEU . 1.8 tt -64.46 117.22 7.0 Favored 'General case' 0 C--N 1.315 -0.907 0 N-CA-C 109.39 -0.596 . . . . 1.71 109.39 172.148 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 96.43 19.8 26.76 Favored Glycine 0 N--CA 1.451 -0.362 0 CA-C-N 115.884 -0.598 . . . . 0.59 112.15 -170.17 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.496 ' HB2' ' HB3' ' A' ' 73' ' ' ALA . 10.5 tp10 -107.44 154.02 21.96 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-O 120.981 0.419 . . . . 2.37 110.771 179.489 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.464 ' HA ' ' O ' ' A' ' 90' ' ' ILE . 43.1 tt0 -128.38 108.63 10.73 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.33 -0.85 . . . . 1.4 108.853 177.715 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 53.9 p90 -131.09 159.39 37.74 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.511 -0.313 . . . . 0.57 110.45 -174.239 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 24.2 tt0 -90.44 152.09 21.12 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.429 -0.582 . . . . 1.95 109.429 176.281 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.444 ' O ' ' HA ' ' A' ' 87' ' ' GLN . 10.0 t0 -159.57 174.08 15.15 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.098 -0.705 . . . . 1.26 109.098 -173.836 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.483 ' HB3' ' NE2' ' A' ' 87' ' ' GLN . 9.9 pt-20 -115.7 104.22 11.46 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.859 0.838 . . . . 2.13 109.223 176.44 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.403 ' HA ' HG21 ' A' ' 67' ' ' THR . . . -87.26 179.06 6.69 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 114.399 -1.273 . . . . 0.95 113.069 -167.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.583 HD22 ' H ' ' A' ' 83' ' ' LEU . 2.8 mm? -56.45 -29.81 62.13 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 121.17 0.51 . . . . 1.34 110.249 -179.726 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -76.46 10.68 1.94 Allowed 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.128 -0.942 . . . . 1.55 112.498 -174.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 24.9 m 74.57 0.76 3.66 Favored 'General case' 0 N--CA 1.467 0.407 0 N-CA-C 113.486 0.921 . . . . 1.21 113.486 169.312 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 52.5 p -120.33 168.99 10.71 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 119.928 -0.709 . . . . 0.93 111.539 177.336 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.483 ' NE2' ' HB3' ' A' ' 81' ' ' GLU . 0.2 OUTLIER -98.79 127.95 44.87 Favored 'General case' 0 CA--C 1.511 -0.543 0 N-CA-C 108.564 -0.902 . . . . 1.88 108.564 -178.485 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . 0.607 ' CB ' ' HA ' ' A' ' 106' ' ' LYS . 12.6 p80 -154.59 170.68 20.92 Favored 'General case' 0 C--N 1.32 -0.696 0 C-N-CA 120.713 -0.395 . . . . 1.04 111.641 177.173 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.525 ' CG ' ' HB ' ' A' ' 105' ' ' ILE . 6.1 ptpp? -77.62 150.9 34.57 Favored 'General case' 0 N--CA 1.45 -0.425 0 CA-C-N 115.637 -0.711 . . . . 1.49 110.327 -176.673 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.464 ' O ' ' HA ' ' A' ' 77' ' ' GLU . 61.7 mt -142.77 137.56 27.67 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.804 0 CA-C-N 115.442 -0.799 . . . . 0.54 110.367 -176.829 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.448 ' HA ' ' O ' ' A' ' 76' ' ' GLU . 72.8 m -128.5 140.22 51.92 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.785 0.326 . . . . 0.43 111.256 179.818 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.463 ' HZ ' ' CD2' ' A' ' 69' ' ' HIS . 48.5 m-85 -113.12 137.98 50.63 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.059 -0.719 . . . . 0.6 109.059 175.861 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -158.56 146.2 18.0 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.915 0.388 . . . . 1.69 111.321 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.76 HD23 HD11 ' A' ' 74' ' ' LEU . 0.8 OUTLIER -94.51 117.29 29.9 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.141 -0.688 . . . . 1.12 109.141 175.687 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 23.4 ttmm -91.02 -58.52 2.44 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 108.993 -0.743 . . . . 3.03 108.993 -177.016 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.45 ' C ' ' H ' ' A' ' 98' ' ' ASN . 12.6 m-20 -107.56 165.55 12.6 Favored Pre-proline 0 C--N 1.319 -0.724 0 N-CA-C 107.55 -1.278 . . . . 1.79 107.55 172.659 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 16.8 Cg_exo -68.63 14.02 0.2 Allowed 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.935 2.423 . . . . 0.98 112.727 -177.192 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . 0.45 ' H ' ' C ' ' A' ' 96' ' ' ASP . 27.8 p-10 -159.21 26.99 0.2 Allowed 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.931 -0.577 . . . . 2.32 109.624 178.25 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.415 ' HB ' ' H ' ' A' ' 96' ' ' ASP . 58.5 m -139.39 110.36 6.83 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 115.658 -0.701 . . . . 0.56 111.194 179.506 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.481 ' HB3' ' HB2' ' A' ' 118' ' ' TYR . 14.1 tp -103.83 133.98 47.91 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.763 -0.653 . . . . 1.1 109.79 177.773 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 14.4 p -113.41 132.63 55.55 Favored 'General case' 0 C--N 1.321 -0.645 0 O-C-N 121.777 -0.577 . . . . 0.41 111.316 -179.694 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -115.19 96.61 5.76 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.701 -0.681 . . . . 1.31 109.508 177.548 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . 0.463 ' O ' ' HA ' ' A' ' 90' ' ' ILE . 26.8 m -89.03 117.89 28.36 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.833 -0.622 . . . . 0.51 110.691 -174.217 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . 0.54 ' HB3' ' CE1' ' A' ' 88' ' ' HIS . 10.6 m170 -102.05 92.16 4.65 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.297 -0.411 . . . . 1.69 110.335 -179.832 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.525 ' HB ' ' CG ' ' A' ' 89' ' ' LYS . 15.9 mt -90.4 111.92 24.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-O 121.422 0.629 . . . . 0.75 110.725 177.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.607 ' HA ' ' CB ' ' A' ' 88' ' ' HIS . 98.6 mttt -61.08 118.11 6.37 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.075 -0.966 . . . . 1.61 111.504 178.598 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.411 HG13 ' HA ' ' A' ' 88' ' ' HIS . 29.5 m -65.65 -23.88 33.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 114.959 -1.018 . . . . 1.32 111.006 179.657 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -82.42 -37.13 25.93 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 116.341 -0.39 . . . . 2.5 110.452 -179.575 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.43 ' O ' ' HB2' ' A' ' 106' ' ' LYS . 15.0 t70 -152.82 100.36 2.73 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.392 0.615 . . . . 2.39 110.275 177.016 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.401 ' HD2' ' HA ' ' A' ' 109' ' ' ASP . 63.3 Cg_endo -74.01 9.5 1.68 Allowed 'Trans proline' 0 CA--C 1.531 0.344 0 C-N-CA 123.281 2.654 . . . . 0.9 113.969 -177.623 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 63.7 p -110.85 14.83 22.1 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.695 0.76 . . . . 1.47 110.492 176.368 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -130.5 27.6 5.0 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 122.085 0.945 . . . . 1.59 109.099 175.444 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.494 ' CG1' ' HA ' ' A' ' 105' ' ' ILE . 16.9 m -72.52 178.8 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 114.909 -1.041 . . . . 1.6 111.568 -175.64 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.456 ' HB2' ' NH1' ' A' ' 26' ' ' ARG . 8.4 tp10 -162.1 153.02 17.71 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.244 -0.435 . . . . 2.78 110.166 176.582 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 86.7 m -131.17 130.24 42.77 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.265 0.555 . . . . 0.53 110.867 -176.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' TYR . . . . . 0.438 ' HB3' ' CE ' ' A' ' 127' ' ' MET . 9.7 m-30 -95.08 144.69 25.53 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 107.518 -1.29 . . . . 0.96 107.518 174.513 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . 0.546 ' O ' ' HA ' ' A' ' 127' ' ' MET . 37.4 tt0 -129.36 120.02 24.87 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 118.964 0.802 . . . . 1.27 109.268 -175.608 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . 0.481 ' HB2' ' HB3' ' A' ' 100' ' ' LEU . 78.2 m-85 -96.81 108.37 21.03 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.135 -0.484 . . . . 0.6 110.632 -175.546 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 22.7 ttt180 -120.39 152.17 38.27 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.101 -0.499 . . . . 3.41 109.841 178.301 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . 0.49 ' NH2' ' HA ' ' A' ' 123' ' ' ASP . 14.9 mmm180 -98.3 138.95 34.81 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 120.884 0.373 . . . . 1.96 111.259 -179.294 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -130.4 88.97 2.71 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.015 -0.539 . . . . 1.08 109.583 176.749 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 68.25 -95.5 0.36 Allowed Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 120.949 -0.643 . . . . 0.92 111.611 -176.226 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . 0.49 ' HA ' ' NH2' ' A' ' 120' ' ' ARG . 6.2 p-10 -118.71 -2.09 11.0 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.987 0.422 . . . . 2.31 110.667 177.607 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 24.1 m-85 -96.55 143.83 27.18 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.089 -0.505 . . . . 0.67 110.857 -178.707 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -93.59 118.44 31.37 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 107.753 -1.202 . . . . 1.03 107.753 172.514 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 59.6 t -117.2 129.3 73.96 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.819 0 CA-C-O 121.152 0.501 . . . . 0.47 109.833 -173.406 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' MET . . . . . 0.569 ' HB3' ' HB3' ' A' ' 138' ' ' ARG . 23.3 ttm -103.49 138.82 39.68 Favored 'General case' 0 C--N 1.311 -1.068 0 CA-C-N 115.77 -0.65 . . . . 1.08 110.829 -178.858 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . 0.41 ' HB2' ' HB3' ' A' ' 117' ' ' GLU . 23.8 mmtp -108.5 129.82 55.28 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.543 -0.753 . . . . 2.2 109.431 175.003 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 67.3 mtp -131.91 127.43 36.41 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 107.874 -1.158 . . . . 1.11 107.874 175.666 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . 0.496 ' HA ' ' O ' ' A' ' 134' ' ' VAL . 7.2 p -139.9 129.98 25.0 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.044 0.45 . . . . 1.06 112.169 -172.199 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' TRP . . . . . 0.449 ' CG ' ' HD2' ' A' ' 26' ' ' ARG . 30.1 t-105 -146.03 131.03 18.23 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.455 -0.793 . . . . 0.76 110.084 178.624 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 59.0 mttp 51.24 43.75 29.13 Favored 'General case' 0 C--N 1.327 -0.371 0 O-C-N 123.677 0.61 . . . . 1.96 111.634 -179.259 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 80.73 -6.23 62.51 Favored Glycine 0 N--CA 1.451 -0.338 0 CA-C-N 115.633 -0.712 . . . . 0.53 113.289 177.609 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . 0.496 ' O ' ' HA ' ' A' ' 130' ' ' SER . 4.3 t -93.54 105.6 17.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.97 0.385 . . . . 0.43 110.479 -179.249 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -99.66 132.07 45.24 Favored 'General case' 0 N--CA 1.438 -1.063 0 CA-C-O 121.171 0.51 . . . . 1.14 110.397 176.801 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 6.1 t -120.43 140.25 51.65 Favored 'General case' 0 C--N 1.31 -1.131 0 CA-C-N 115.537 -0.756 . . . . 0.4 109.571 177.677 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 15.2 m -106.13 117.15 33.3 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.018 0.437 . . . . 0.79 110.233 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . 0.569 ' HB3' ' HB3' ' A' ' 127' ' ' MET . 5.4 tpt180 -97.79 108.22 20.88 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 108.588 -0.893 . . . . 1.84 108.588 179.183 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 92.5 m-85 -91.58 112.9 25.0 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.859 0.362 . . . . 0.64 111.747 -171.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 140' ' ' TYR . . . . . 0.447 ' CE1' HD12 ' A' ' 13' ' ' LEU . 95.3 m-85 -107.83 147.01 31.48 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.824 -0.626 . . . . 0.6 110.942 177.518 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . 0.503 ' HG3' ' O ' ' A' ' 142' ' ' LYS . 17.5 ptpt -127.95 166.43 18.35 Favored 'General case' 0 C--N 1.31 -1.149 0 N-CA-C 107.194 -1.41 . . . . 1.92 107.194 173.676 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . 0.599 ' O ' ' HG2' ' A' ' 12' ' ' LYS . 31.1 mtpp -54.5 165.84 0.52 Allowed 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 119.304 0.956 . . . . 2.13 111.262 173.164 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . 0.684 ' NE2' ' HB3' ' A' ' 12' ' ' LYS . 26.5 mm-40 . . . . . 0 C--O 1.245 0.865 0 O-C-N 121.537 -0.727 . . . . 1.46 110.399 165.117 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1001 ' ' OLA . . . . . 0.573 ' H9 ' ' HA ' ' A' ' 36' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' -11' ' ' MET . . . . . . . . . . . . . 1.9 mpt? . . . . . 0 N--CA 1.481 1.112 0 N-CA-C 110.121 -0.325 . . . . 14.47 110.121 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' -10' ' ' ARG . . . . . . . . . . . . . 53.5 ttt180 -72.22 -35.8 68.97 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.894 -0.41 . . . . 15.82 109.894 177.057 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' -9' ' ' GLY . . . . . . . . . . . . . . . -74.56 134.59 17.96 Favored Glycine 0 N--CA 1.446 -0.668 0 C-N-CA 120.725 -0.75 . . . . 11.88 111.458 178.042 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' -8' ' ' SER . . . . . . . . . . . . . 47.8 m 65.28 -171.36 0.19 Allowed 'General case' 0 C--O 1.234 0.28 0 C-N-CA 122.513 0.325 . . . . 11.68 110.741 -177.746 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' -7' ' ' HIS . . . . . . . . . . . . . 89.6 m-70 62.94 38.83 10.91 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 120.915 0.388 . . . . 11.79 111.279 178.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' -6' ' ' HIS . . . . . . . . . . . . . 18.1 t-80 -79.92 -20.08 46.56 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.979 0.418 . . . . 10.98 110.312 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' -5' ' ' HIS . . . . . . . . . . . . . 44.9 m80 -92.5 31.85 1.29 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.095 0.474 . . . . 9.31 110.298 177.585 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' -4' ' ' HIS . . . . . . . . . . . . . 59.8 t-80 -82.3 73.81 9.31 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.716 -0.674 . . . . 10.54 109.465 178.641 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' -3' ' ' HIS . . . . . . . . . . . . . 33.0 m80 59.02 85.1 0.1 Allowed 'General case' 0 CA--C 1.52 -0.195 0 CA-C-N 115.7 -0.682 . . . . 8.73 110.387 -174.184 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 6.7 t-80 -77.72 56.84 1.55 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.549 0.69 . . . . 7.06 110.429 -177.301 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -133.4 149.58 19.68 Favored Glycine 0 N--CA 1.443 -0.863 0 CA-C-N 115.192 -0.913 . . . . 3.5 110.844 178.063 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . 0.504 ' OG ' ' HB1' ' A' ' 73' ' ' ALA . 3.6 m -88.72 147.54 24.43 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-O 121.179 0.514 . . . . 3.11 111.174 -175.151 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 6.9 mtpm? -76.26 134.43 39.8 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 107.484 -1.302 . . . . 2.99 107.484 166.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 2.8 m -77.33 131.79 38.27 Favored 'General case' 0 C--N 1.316 -0.849 0 C-N-CA 120.685 -0.406 . . . . 0.99 110.916 -172.65 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.491 ' HB2' ' CE1' ' A' ' 56' ' ' TYR . 0.5 OUTLIER -64.36 120.95 69.4 Favored Pre-proline 0 C--N 1.327 -0.401 0 CA-C-N 115.632 -0.713 . . . . 0.59 110.422 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 41.4 Cg_exo -56.49 125.55 19.41 Favored 'Trans proline' 0 N--CA 1.459 -0.522 0 C-N-CA 122.342 2.028 . . . . 0.61 110.432 172.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.531 ' HA ' HD12 ' A' ' 8' ' ' LEU . 4.2 p-10 -57.45 -20.48 30.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.108 -0.496 . . . . 2.19 111.62 -175.393 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 70.7 tttt -64.21 -15.91 60.93 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.39 -0.368 . . . . 2.53 111.555 179.108 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 31.7 m-85 -97.51 -1.55 43.81 Favored 'General case' 0 C--N 1.333 -0.129 0 O-C-N 122.053 -0.404 . . . . 0.6 110.53 176.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.531 HD12 ' HA ' ' A' ' 5' ' ' ASP . 83.1 mt -100.1 150.54 22.38 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.121 0.486 . . . . 0.46 111.083 -174.314 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 133.55 -179.1 17.74 Favored Glycine 0 N--CA 1.446 -0.64 0 CA-C-N 115.467 -0.788 . . . . 0.52 111.997 -178.676 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 56.4 m -110.78 126.82 55.02 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.856 -0.424 . . . . 1.05 109.856 176.666 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 45.1 m-85 -126.91 133.63 50.63 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.429 -0.351 . . . . 0.47 111.127 -175.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.512 ' HD2' ' NE2' ' A' ' 143' ' ' GLN . 21.0 ptmt -93.9 138.4 32.08 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 120.686 -0.405 . . . . 2.19 110.442 172.597 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.472 HD11 ' CZ ' ' A' ' 138' ' ' ARG . 5.4 tt -55.19 121.48 8.91 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.57 -0.286 . . . . 1.14 110.471 175.008 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -94.64 -52.82 4.13 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.315 -0.402 . . . . 2.08 110.376 179.126 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 14.3 ptm180 -163.62 -169.52 1.95 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.275 -0.42 . . . . 3.36 110.037 -177.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -147.18 -174.37 4.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.839 0.352 . . . . 1.19 111.125 -177.384 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -162.6 109.49 1.26 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.779 -0.646 . . . . 2.66 110.085 -179.616 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 3.1 t30 69.27 24.44 5.94 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-O 121.742 0.782 . . . . 0.76 110.711 176.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 76.9 t80 -73.58 -41.41 62.93 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.428 -0.806 . . . . 0.49 111.335 -174.363 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.547 ' OD1' ' HE3' ' A' ' 24' ' ' LYS . 27.9 t70 -57.3 -48.65 78.37 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.92 0.391 . . . . 2.04 110.775 179.256 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -60.32 -35.39 75.52 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.12 -0.491 . . . . 1.79 111.533 178.519 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 82.7 t80 -60.75 -40.2 91.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.871 0.367 . . . . 0.57 110.644 174.39 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.427 HD13 ' HA ' ' A' ' 33' ' ' ARG . 96.1 mt -63.89 -38.42 91.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.37 110.621 -178.245 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.547 ' HE3' ' OD1' ' A' ' 20' ' ' ASP . 96.9 mttt -61.95 -47.93 82.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.866 -0.606 . . . . 1.88 110.154 178.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.93 -36.08 76.26 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.43 -0.805 . . . . 0.44 111.098 179.13 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 19.0 mmm180 -74.9 -11.01 60.03 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.924 -0.58 . . . . 1.29 111.668 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 99.98 11.97 41.37 Favored Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 120.489 -0.863 . . . . 0.62 112.943 176.179 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 94.8 m-85 -84.91 122.04 28.61 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.891 0.377 . . . . 0.64 110.175 177.32 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -78.02 -176.31 45.9 Favored Glycine 0 N--CA 1.445 -0.703 0 CA-C-N 115.664 -0.698 . . . . 1.54 112.014 177.33 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.526 ' O ' ' HG2' ' A' ' 34' ' ' GLN . 42.8 t90 -51.04 -43.48 60.94 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 122.286 0.234 . . . . 1.18 111.625 -178.836 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.819 ' H ' HD12 ' A' ' 31' ' ' ILE . 3.6 mp -56.73 -59.28 3.19 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.774 0 CA-C-O 121.402 0.62 . . . . 2.16 110.004 -175.484 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.706 ' O ' HG12 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -62.89 -40.76 98.54 Favored 'General case' 0 N--CA 1.427 -1.591 0 CA-C-N 115.112 -0.949 . . . . 0.97 110.918 -177.751 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.427 ' HA ' HD13 ' A' ' 23' ' ' LEU . 46.9 mtm105 -57.31 -30.09 64.47 Favored 'General case' 0 C--N 1.33 -0.243 0 O-C-N 123.201 0.313 . . . . 1.87 110.972 178.844 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.526 ' HG2' ' O ' ' A' ' 30' ' ' TRP . 29.4 mm-40 -66.64 -46.8 74.6 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.303 -0.629 . . . . 1.97 109.303 174.605 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 67.3 t -64.68 -58.6 6.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.162 -0.472 . . . . 0.68 111.11 -177.607 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.706 HG12 ' O ' ' A' ' 32' ' ' MET . 2.3 mm -47.68 -48.25 10.96 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.406 0 CA-C-N 116.017 -0.538 . . . . 0.51 111.975 -177.096 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.422 ' HE2' ' O ' ' A' ' 33' ' ' ARG . 52.3 mtmt -77.28 -32.17 55.3 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.224 -0.444 . . . . 0.97 111.68 -174.593 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 14.8 mt -102.6 32.39 3.64 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.838 0.352 . . . . 2.08 110.991 -176.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.481 ' O ' HG21 ' A' ' 63' ' ' THR . . . -90.75 -85.08 0.23 Allowed 'General case' 0 N--CA 1.447 -0.618 0 CA-C-O 121.119 0.485 . . . . 1.03 111.031 -178.647 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.473 ' O ' ' HA ' ' A' ' 62' ' ' THR . . . 118.8 115.25 2.62 Favored Glycine 0 C--N 1.308 -0.99 0 N-CA-C 110.66 -0.976 . . . . 0.84 110.66 -167.524 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.983 ' HB ' HG22 ' A' ' 62' ' ' THR . 0.5 OUTLIER -145.07 136.91 20.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-O 121.482 0.658 . . . . 1.3 111.752 -175.755 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 29.3 m -115.23 125.38 53.29 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 114.826 -1.079 . . . . 0.45 110.301 178.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.507 ' HE3' ' SD ' ' A' ' 127' ' ' MET . 74.0 mmtt -88.79 134.31 33.97 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.567 -0.288 . . . . 0.79 110.393 178.583 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.483 ' HB2' ' HB2' ' A' ' 59' ' ' GLU . 51.2 mtpt -129.63 117.06 19.78 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 110.206 -0.294 . . . . 1.96 110.206 177.491 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.467 ' HB3' HD23 ' A' ' 8' ' ' LEU . 74.3 m-85 -118.83 130.19 55.63 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.424 -0.584 . . . . 0.54 109.424 174.68 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 11.2 ptp180 -161.17 167.5 26.01 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.22 0.533 . . . . 3.17 111.612 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.488 ' HA ' ' CD2' ' A' ' 56' ' ' TYR . 7.4 p30 -66.18 146.18 54.94 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 108.145 -1.058 . . . . 1.85 108.145 170.361 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -47.57 117.22 1.72 Allowed 'General case' 0 CA--C 1.519 -0.246 0 CA-C-O 121.075 0.464 . . . . 0.87 111.74 -172.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -46.64 -38.33 9.52 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 114.234 -1.348 . . . . 1.48 113.515 -175.545 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 49.4 m -73.8 14.13 0.42 Allowed 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.671 0.619 . . . . 2.37 112.671 -179.483 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 71.44 22.16 78.61 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.827 -0.702 . . . . 1.91 112.769 178.071 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.415 ' HD2' ' HD2' ' A' ' 53' ' ' PRO . 54.9 tptt -82.89 119.38 74.25 Favored Pre-proline 0 N--CA 1.447 -0.605 0 N-CA-C 109.647 -0.501 . . . . 3.17 109.647 178.297 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.491 ' O ' ' HB3' ' A' ' 54' ' ' ASP . 60.9 Cg_endo -72.68 147.71 45.69 Favored 'Trans proline' 0 C--O 1.238 0.496 0 C-N-CA 122.452 2.101 . . . . 1.84 112.317 -178.666 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.491 ' HB3' ' O ' ' A' ' 53' ' ' PRO . 27.5 t70 82.38 -52.02 0.21 Allowed 'General case' 0 N--CA 1.464 0.27 0 O-C-N 124.306 1.004 . . . . 2.44 109.529 178.47 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 9.8 mpt_? -64.13 141.8 58.64 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.378 -0.828 . . . . 4.1 112.261 173.13 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.491 ' CE1' ' HB2' ' A' ' 3' ' ' LEU . 90.5 m-85 -120.41 169.45 10.3 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.096 -0.956 . . . . 0.97 109.257 174.529 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.425 ' HB2' ' HA ' ' A' ' 70' ' ' LYS . 1.4 p-10 -136.04 151.04 49.46 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.368 -0.604 . . . . 1.1 109.368 171.559 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.446 ' HA ' ' O ' ' A' ' 44' ' ' LYS . 1.9 tmt? -143.08 138.41 29.88 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.901 -0.59 . . . . 0.98 110.01 -171.205 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.483 ' HB2' ' HB2' ' A' ' 44' ' ' LYS . 41.9 mt-10 -127.9 151.1 49.49 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.566 0.698 . . . . 1.11 112.812 -175.741 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.475 ' HB2' ' OG1' ' A' ' 67' ' ' THR . 36.9 m-80 -126.49 85.42 2.38 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 114.311 -1.313 . . . . 1.17 108.896 174.479 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 57.8 mt -84.11 108.77 17.22 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 116.127 -0.488 . . . . 1.67 110.516 -178.603 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.983 HG22 ' HB ' ' A' ' 41' ' ' VAL . 23.6 p -121.39 -179.22 4.0 Favored 'General case' 0 N--CA 1.445 -0.71 0 CA-C-N 116.248 -0.433 . . . . 0.45 109.869 -176.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.481 HG21 ' O ' ' A' ' 39' ' ' ALA . 26.9 p -86.1 -26.06 25.47 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-N 116.234 -0.439 . . . . 0.54 111.307 -177.621 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 32.2 mmmt -103.81 -17.85 14.89 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.275 -0.421 . . . . 2.24 110.842 -177.072 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.46 ' HA ' ' HE3' ' A' ' 65' ' ' LYS . 0.0 OUTLIER -137.28 -155.22 0.59 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.058 0.456 . . . . 1.82 111.123 -176.821 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.425 ' H ' ' HB3' ' A' ' 65' ' ' LYS . 6.3 p-10 166.4 98.76 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 114.604 -1.18 . . . . 2.12 108.56 -172.123 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.475 ' OG1' ' HB2' ' A' ' 60' ' ' ASN . 45.7 p -120.65 145.92 46.93 Favored 'General case' 0 C--N 1.307 -1.26 0 CA-C-N 115.39 -0.823 . . . . 0.56 110.142 -177.043 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 8.3 t-160 -140.73 91.98 2.47 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-N 115.858 -0.61 . . . . 1.95 109.925 -175.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 7.7 m-70 -68.05 87.33 0.26 Allowed 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 108.397 -0.964 . . . . 0.39 108.397 174.564 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.462 ' H ' ' HG2' ' A' ' 70' ' ' LYS . 12.0 ptpt -92.75 125.92 37.59 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 112.347 0.499 . . . . 2.3 112.347 -173.374 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 17.4 t70 64.77 68.48 0.52 Allowed 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 114.977 -1.01 . . . . 2.07 110.94 173.725 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 70.3 p-90 -119.86 152.65 37.01 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.893 -0.594 . . . . 0.43 110.204 176.606 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.504 ' HB1' ' OG ' ' A' ' 0' ' ' SER . . . -115.95 138.09 51.51 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-O 120.78 0.324 . . . . 0.55 110.319 178.732 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.571 HD11 HD13 ' A' ' 94' ' ' LEU . 4.6 tt -56.68 129.6 41.81 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.111 -0.495 . . . . 1.71 110.081 175.536 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.482 ' N ' HD23 ' A' ' 74' ' ' LEU . . . 89.4 -0.64 81.11 Favored Glycine 0 N--CA 1.45 -0.421 0 CA-C-N 115.789 -0.641 . . . . 0.59 112.37 -176.608 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.41 ' HG3' ' HB3' ' A' ' 73' ' ' ALA . 51.9 mm-40 -112.42 170.28 8.28 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.328 0.585 . . . . 2.37 110.979 -176.523 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -131.78 131.93 43.35 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.295 -0.866 . . . . 1.4 109.033 -176.222 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 34.9 p90 -136.38 159.6 41.27 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-O 120.612 0.244 . . . . 0.57 110.431 -177.084 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 70.5 mt-30 -91.16 145.59 24.55 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.702 -0.481 . . . . 1.95 109.702 172.695 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.51 ' HB3' HD12 ' A' ' 90' ' ' ILE . 7.8 t70 -167.59 165.19 14.62 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 115.682 -0.69 . . . . 1.26 109.686 -174.356 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.469 ' HA ' ' HA ' ' A' ' 87' ' ' GLN . 35.2 tt0 -98.96 118.89 36.76 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.188 -0.671 . . . . 2.13 109.188 179.73 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.481 ' HB3' ' OD1' ' A' ' 84' ' ' ASP . . . -96.1 178.46 5.4 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.528 -0.76 . . . . 0.95 112.348 -173.359 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.455 HD13 HG23 ' A' ' 67' ' ' THR . 3.1 mm? -63.39 -16.64 61.1 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.338 -0.392 . . . . 1.34 111.227 -177.804 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.513 ' HA ' H142 ' A' 1001 ' ' OLA . 6.8 p-10 -80.25 14.82 1.77 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.352 -0.385 . . . . 1.55 110.996 177.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 53.3 m 75.5 -32.03 0.21 Allowed 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 124.153 0.981 . . . . 1.21 112.712 169.47 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 11.9 p -90.83 165.69 13.49 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 120.827 0.346 . . . . 0.93 110.176 174.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.469 ' HA ' ' HA ' ' A' ' 81' ' ' GLU . 3.9 pt20 -109.69 152.69 25.28 Favored 'General case' 0 CA--C 1.503 -0.836 0 C-N-CA 120.496 -0.482 . . . . 1.88 109.973 -179.774 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . 0.696 ' HB2' ' O ' ' A' ' 105' ' ' ILE . 4.3 p80 -169.05 -172.52 1.56 Allowed 'General case' 0 C--N 1.313 -0.978 0 CA-C-N 115.615 -0.72 . . . . 1.04 111.232 -176.526 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 18.9 ptmt -78.32 142.3 37.83 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-O 120.993 0.425 . . . . 1.49 110.378 -177.135 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.51 HD12 ' HB3' ' A' ' 80' ' ' ASP . 65.4 mt -141.15 124.56 16.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 115.36 -0.836 . . . . 0.54 110.373 -179.356 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 6.1 m -107.94 133.78 51.79 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-O 120.965 0.412 . . . . 0.43 110.49 177.114 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -116.07 130.03 56.62 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.045 -0.724 . . . . 0.6 109.045 175.532 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -170.44 173.66 5.51 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 109.153 -0.684 . . . . 1.69 109.153 -176.769 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.571 HD13 HD11 ' A' ' 74' ' ' LEU . 2.9 mp -109.86 132.22 54.35 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.289 0.566 . . . . 1.12 111.185 -177.356 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 4.7 tmmm? -87.42 -39.67 15.05 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.086 -0.961 . . . . 3.03 108.56 179.035 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -145.81 161.62 39.48 Favored Pre-proline 0 C--N 1.323 -0.577 0 N-CA-C 107.714 -1.217 . . . . 1.79 107.714 172.589 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_exo -62.64 8.33 0.12 Allowed 'Trans proline' 0 N--CA 1.481 0.778 0 C-N-CA 123.581 2.854 . . . . 0.98 114.258 -174.57 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 20.1 t-20 -126.77 -10.57 6.11 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.555 0.217 . . . . 2.32 110.679 179.52 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 16.1 m -129.29 113.33 14.87 Favored 'General case' 0 C--O 1.236 0.389 0 N-CA-C 112.647 0.61 . . . . 0.56 112.647 -174.474 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.466 ' HB3' ' HB2' ' A' ' 118' ' ' TYR . 0.7 OUTLIER -77.61 148.54 35.07 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 107.672 -1.233 . . . . 1.1 107.672 169.002 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.529 HG22 ' HG2' ' A' ' 117' ' ' GLU . 17.0 p -129.15 135.7 49.21 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 118.689 0.677 . . . . 0.41 111.431 176.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 75.5 tt0 -117.25 109.05 16.38 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.512 -0.767 . . . . 1.31 109.928 176.61 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 43.0 m -106.9 119.75 40.2 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.892 -0.41 . . . . 0.51 109.892 179.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . 0.521 ' HB2' ' CE1' ' A' ' 88' ' ' HIS . 25.4 p80 -119.64 128.3 53.72 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 120.35 -0.54 . . . . 1.69 111.059 179.153 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.696 ' O ' ' HB2' ' A' ' 88' ' ' HIS . 53.0 mt -129.84 132.99 65.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.404 -0.817 . . . . 0.75 109.973 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.584 ' HA ' ' CB ' ' A' ' 88' ' ' HIS . 46.5 mttp -63.39 119.82 10.44 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.282 0.563 . . . . 1.61 112.314 -179.707 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.659 HG13 ' HA ' ' A' ' 88' ' ' HIS . 29.9 m -59.93 -29.94 44.34 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.232 0 CA-C-N 114.893 -1.049 . . . . 1.32 110.71 176.148 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -75.12 -60.31 2.35 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.217 -0.901 . . . . 2.5 110.284 179.517 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.42 ' C ' ' H ' ' A' ' 111' ' ' THR . 3.3 m-20 -133.37 99.64 14.42 Favored Pre-proline 0 C--N 1.319 -0.739 0 CA-C-N 115.34 -0.846 . . . . 2.39 109.999 179.549 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.414 ' HD2' ' HA ' ' A' ' 109' ' ' ASP . 55.6 Cg_endo -67.73 14.55 0.15 Allowed 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 124.011 3.141 . . . . 0.9 113.148 -178.159 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . 0.42 ' H ' ' C ' ' A' ' 109' ' ' ASP . 28.7 p -71.5 -32.38 68.16 Favored 'General case' 0 N--CA 1.443 -0.777 0 N-CA-C 109.232 -0.655 . . . . 1.47 109.232 174.687 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -83.62 103.99 13.38 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 114.986 -1.006 . . . . 1.59 110.397 174.634 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.42 HG22 HG12 ' A' ' 105' ' ' ILE . 24.2 t -124.39 132.24 71.62 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.297 0 N-CA-C 108.966 -0.753 . . . . 1.6 108.966 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.506 ' HB3' ' NE2' ' A' ' 104' ' ' HIS . 40.8 tt0 -152.13 145.35 24.66 Favored 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 120.713 -0.395 . . . . 2.78 110.718 177.198 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 30.8 m -131.54 130.38 42.24 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.051 -0.522 . . . . 0.53 111.261 -178.198 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' TYR . . . . . 0.447 ' HB3' ' CE ' ' A' ' 127' ' ' MET . 20.2 m-85 -104.3 154.42 19.83 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 107.54 -1.281 . . . . 0.96 107.54 172.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . 0.529 ' HG2' HG22 ' A' ' 101' ' ' THR . 31.7 mt-10 -132.79 129.25 38.32 Favored 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 108.642 -0.873 . . . . 1.27 108.642 179.41 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . 0.475 ' HD1' HD11 ' A' ' 125' ' ' LEU . 76.1 m-85 -109.98 98.65 7.9 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.772 0.32 . . . . 0.6 111.0 -176.643 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 2.6 ptp180 -117.37 167.35 11.33 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.067 0.46 . . . . 3.41 111.303 179.448 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 11.8 mmm180 -121.96 119.36 31.28 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.117 -0.492 . . . . 1.96 110.669 179.746 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -101.95 -11.28 19.09 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.638 0.732 . . . . 1.08 109.521 175.331 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -179.85 -131.3 1.61 Allowed Glycine 0 N--CA 1.447 -0.579 0 CA-C-N 115.141 -0.936 . . . . 0.92 111.062 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -88.24 24.24 1.93 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.057 0.456 . . . . 2.31 110.96 178.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 82.7 m-85 -128.92 138.16 51.84 Favored 'General case' 0 N--CA 1.444 -0.754 0 N-CA-C 109.234 -0.654 . . . . 0.67 109.234 -179.156 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.475 HD11 ' HD1' ' A' ' 118' ' ' TYR . 2.2 tm? -76.33 102.38 5.88 Favored 'General case' 0 N--CA 1.436 -1.166 0 N-CA-C 107.088 -1.449 . . . . 1.03 107.088 171.766 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 19.1 t -94.85 103.98 15.3 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.866 0 N-CA-C 108.545 -0.909 . . . . 0.47 108.545 -173.471 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' MET . . . . . 0.507 ' SD ' ' HE3' ' A' ' 43' ' ' LYS . 28.1 ttt -95.43 140.85 29.71 Favored 'General case' 0 C--N 1.302 -1.487 0 CA-C-N 114.521 -1.218 . . . . 1.08 109.771 -172.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . 0.454 ' HB3' ' HB2' ' A' ' 117' ' ' GLU . 47.4 tttm -125.95 136.87 53.51 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-O 120.931 0.396 . . . . 2.2 110.062 -176.345 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' MET . . . . . 0.621 ' HE3' ' H22' ' A' 1001 ' ' OLA . 44.8 mtp -137.27 130.74 31.31 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 108.496 -0.927 . . . . 1.11 108.496 179.681 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 8.1 p -141.92 132.26 25.05 Favored 'General case' 0 C--N 1.323 -0.586 0 C-N-CA 120.518 -0.473 . . . . 1.06 111.983 -177.185 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' TRP . . . . . . . . . . . . . 56.8 t-105 -147.51 132.88 18.54 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.51 -0.768 . . . . 0.76 110.109 177.334 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 68.1 mttm 54.11 37.48 27.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.685 -0.689 . . . . 1.96 111.604 -178.072 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 85.47 -27.96 4.99 Favored Glycine 0 N--CA 1.451 -0.323 0 CA-C-N 115.999 -0.546 . . . . 0.53 113.094 -179.608 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 16.4 t -76.77 108.43 9.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 120.927 0.394 . . . . 0.43 110.034 -178.083 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 32.1 t -109.13 159.5 16.84 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.788 0.804 . . . . 1.14 110.81 -179.702 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . 0.451 ' CG2' ' HB2' ' A' ' 129' ' ' MET . 4.7 t -142.06 141.62 32.78 Favored 'General case' 0 C--N 1.307 -1.269 0 CA-C-N 114.275 -1.33 . . . . 0.4 110.758 -179.355 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -102.67 101.29 11.4 Favored 'General case' 0 N--CA 1.446 -0.631 0 N-CA-C 109.159 -0.682 . . . . 0.79 109.159 174.817 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . 0.494 ' HB3' ' HB3' ' A' ' 127' ' ' MET . 16.2 tpt180 -85.56 103.12 14.12 Favored 'General case' 0 C--N 1.317 -0.845 0 N-CA-C 108.749 -0.834 . . . . 1.84 108.749 -178.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 -85.63 110.2 19.1 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.113 0.482 . . . . 0.64 111.902 -171.704 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 86.2 m-85 -106.18 127.79 53.46 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.727 -0.67 . . . . 0.6 109.963 173.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . 0.5 ' HD3' ' O ' ' A' ' 142' ' ' LYS . 0.0 OUTLIER -108.51 158.7 17.31 Favored 'General case' 0 C--O 1.21 -1.004 0 N-CA-C 108.062 -1.088 . . . . 1.92 108.062 178.619 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . 0.5 ' O ' ' HD3' ' A' ' 141' ' ' LYS . 78.3 tttt -47.41 162.29 0.07 Allowed 'General case' 0 CA--C 1.546 0.8 0 CA-C-O 121.896 0.855 . . . . 2.13 113.075 -178.443 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . 0.512 ' NE2' ' HD2' ' A' ' 12' ' ' LYS . 3.6 mm-40 . . . . . 0 C--O 1.246 0.889 0 O-C-N 121.328 -0.857 . . . . 1.46 110.263 159.042 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1001 ' ' OLA . . . . . 0.621 ' H22' ' HE3' ' A' ' 129' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' -11' ' ' MET . . . . . . . . . . . . . 71.9 mtm . . . . . 0 N--CA 1.48 1.042 0 CA-C-O 120.9 0.381 . . . . 14.47 110.672 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' -10' ' ' ARG . . . . . . . . . . . . . 33.0 mmt180 -112.39 83.76 1.86 Allowed 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.573 -0.528 . . . . 15.82 109.573 178.29 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' -9' ' ' GLY . . . . . . . . . . . . . . . 96.52 123.63 4.45 Favored Glycine 0 N--CA 1.445 -0.754 0 C-N-CA 120.802 -0.713 . . . . 11.88 111.93 -178.691 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' -8' ' ' SER . . . . . . . . . . . . . 4.8 p -80.48 86.04 5.84 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.089 0.471 . . . . 11.68 110.797 -179.376 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' -7' ' ' HIS . . . . . . . . . . . . . 26.7 m-70 -79.43 75.53 6.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.074 -0.512 . . . . 11.79 110.755 -179.169 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' -6' ' ' HIS . . . . . . . . . . . . . 21.8 t60 -78.61 -33.06 47.7 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.047 -0.723 . . . . 10.98 109.047 176.33 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' -5' ' ' HIS . . . . . . . . . . . . . 76.6 m80 -88.3 109.0 19.61 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.458 -0.792 . . . . 9.31 109.458 175.681 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' -4' ' ' HIS . . . . . . . . . . . . . 36.8 m80 -92.91 -59.76 1.97 Allowed 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 116.329 -0.396 . . . . 10.54 110.275 -178.628 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' -3' ' ' HIS . . . . . . . . . . . . . 8.4 p-80 -164.75 147.76 8.65 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.904 -0.589 . . . . 8.73 110.335 -178.588 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 17.5 p80 -154.85 -31.02 0.1 Allowed 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.075 -0.511 . . . . 7.06 110.46 176.176 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 68.56 -94.33 0.34 Allowed Glycine 0 N--CA 1.45 -0.382 0 N-CA-C 111.272 -0.731 . . . . 3.5 111.272 -176.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 22.4 m -73.85 148.91 41.93 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 108.852 -0.795 . . . . 3.11 108.852 171.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.627 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 39.2 mttp -85.35 101.96 13.01 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 109.312 -0.625 . . . . 2.99 109.312 178.649 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 19.3 m -57.21 142.4 43.08 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 123.536 0.522 . . . . 0.99 110.039 -176.414 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.589 HD23 ' HD2' ' A' ' 4' ' ' PRO . 0.2 OUTLIER -60.32 117.32 23.16 Favored Pre-proline 0 C--O 1.234 0.244 0 O-C-N 123.331 0.395 . . . . 0.59 111.067 -174.065 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.589 ' HD2' HD23 ' A' ' 3' ' ' LEU . 44.8 Cg_exo -56.99 122.2 11.42 Favored 'Trans proline' 0 N--CA 1.461 -0.434 0 C-N-CA 122.922 2.414 . . . . 0.61 111.291 174.159 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -55.05 -24.36 24.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.616 -0.72 . . . . 2.19 111.663 -177.335 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.15 -14.73 26.85 Favored 'General case' 0 CA--C 1.534 0.361 0 N-CA-C 112.53 0.567 . . . . 2.53 112.53 178.442 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.454 ' HZ ' ' C ' ' A' ' 98' ' ' ASN . 24.0 m-85 -96.91 -3.46 41.84 Favored 'General case' 0 C--N 1.33 -0.268 0 O-C-N 121.932 -0.48 . . . . 0.6 111.222 179.014 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.551 HD23 ' HB3' ' A' ' 45' ' ' PHE . 97.2 mt -92.86 149.84 21.0 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.285 0.564 . . . . 0.46 111.889 -170.646 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 128.0 170.35 12.81 Favored Glycine 0 N--CA 1.442 -0.919 0 CA-C-N 115.195 -0.911 . . . . 0.52 111.568 -179.137 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.454 HG22 ' HG3' ' A' ' 143' ' ' GLN . 57.0 m -101.24 123.55 45.53 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 109.347 -0.612 . . . . 1.05 109.347 175.578 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.528 ' HA ' ' HA ' ' A' ' 142' ' ' LYS . 55.6 m-85 -116.02 138.08 51.54 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.574 -0.284 . . . . 0.47 111.536 -174.095 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' ' 141' ' ' LYS . 14.6 ptmm? -84.47 -165.97 1.32 Allowed 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 109.266 -0.642 . . . . 2.19 109.266 165.491 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.5 tt -121.71 125.23 46.13 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 107.852 -1.166 . . . . 1.14 107.852 -176.27 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -92.94 -57.62 2.59 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.723 0.297 . . . . 2.08 110.753 179.109 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 23.3 ptt180 -156.41 179.37 9.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.994 0.426 . . . . 3.36 110.97 -176.358 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -138.32 172.31 13.1 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.733 -0.667 . . . . 1.19 110.05 178.691 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -153.64 118.7 5.08 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.496 -0.32 . . . . 2.66 110.979 -177.454 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 5.6 t30 63.31 29.27 15.79 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-O 121.761 0.791 . . . . 0.76 110.775 174.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.463 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 4.6 t80 -80.88 -33.91 33.98 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.451 -0.795 . . . . 0.49 110.513 -176.35 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.51 ' O ' ' HG3' ' A' ' 24' ' ' LYS . 2.1 m-20 -53.08 -57.69 9.55 Favored 'General case' 0 CA--C 1.515 -0.367 0 N-CA-C 109.865 -0.421 . . . . 2.04 109.865 172.372 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.44 ' HA ' ' HD2' ' A' ' 24' ' ' LYS . 8.9 mp0 -51.26 -44.62 61.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.314 -0.857 . . . . 1.79 111.5 178.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.509 ' OH ' ' HG3' ' A' ' 114' ' ' GLU . 78.1 t80 -59.28 -44.56 92.46 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 116.432 -0.349 . . . . 0.57 111.079 177.007 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.463 ' HG ' ' O ' ' A' ' 19' ' ' PHE . 97.2 mt -66.85 -35.58 80.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.964 0.411 . . . . 0.37 110.008 -177.524 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.51 ' HG3' ' O ' ' A' ' 20' ' ' ASP . 94.3 mttt -61.32 -52.61 63.94 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.759 -0.655 . . . . 1.88 109.89 175.697 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.37 -36.77 69.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.169 -0.923 . . . . 0.44 111.208 177.631 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 8.9 mmm180 -67.08 -18.66 65.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.763 -0.653 . . . . 1.29 111.521 179.641 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 106.8 -1.3 36.12 Favored Glycine 0 N--CA 1.447 -0.624 0 C-N-CA 120.485 -0.864 . . . . 0.62 113.17 179.381 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 72.7 m-85 -69.85 112.12 6.06 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.243 0.544 . . . . 0.64 109.824 179.374 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -62.83 -55.65 25.63 Favored Glycine 0 C--N 1.333 0.38 0 CA-C-N 114.617 -1.174 . . . . 1.54 113.868 -172.775 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.408 ' O ' ' HG2' ' A' ' 34' ' ' GLN . 87.6 t90 -167.04 -58.22 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 117.229 0.515 . . . . 1.18 111.36 -179.203 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.413 ' HA ' HD13 ' A' ' 31' ' ' ILE . 1.0 OUTLIER -51.81 -50.71 31.5 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.155 0 O-C-N 123.319 0.387 . . . . 2.16 111.885 -178.024 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 55.4 mmm -59.03 -36.85 75.68 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.115 -0.493 . . . . 0.97 111.539 178.746 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.499 ' NH1' ' HG2' ' A' ' 24' ' ' LYS . 16.6 mtm180 -67.71 -24.63 65.41 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.008 0.432 . . . . 1.87 110.073 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.579 ' O ' HD23 ' A' ' 38' ' ' LEU . 29.8 mm-40 -77.29 -31.17 54.62 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.892 -0.594 . . . . 1.97 110.214 177.353 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.492 ' CG1' ' HG3' ' A' ' 64' ' ' LYS . 94.6 t -84.06 -63.33 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-O 120.806 0.336 . . . . 0.68 111.25 -179.364 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.589 ' HA ' ' H9 ' ' A' 1001 ' ' OLA . 88.6 mt -41.39 -46.07 0.8 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.486 0 C-N-CA 124.275 1.03 . . . . 0.51 113.656 179.672 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 43.7 mtmt -74.55 -25.85 59.58 Favored 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 112.177 0.436 . . . . 0.97 112.177 -176.642 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.579 HD23 ' O ' ' A' ' 34' ' ' GLN . 4.5 mm? -95.1 7.92 44.62 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.175 0.512 . . . . 2.08 110.754 -174.309 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -85.24 117.27 24.08 Favored 'General case' 0 N--CA 1.444 -0.77 0 CA-C-N 115.747 -0.66 . . . . 1.03 110.114 177.027 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.649 ' O ' ' HA ' ' A' ' 62' ' ' THR . . . -68.4 119.49 10.4 Favored Glycine 0 N--CA 1.445 -0.736 0 N-CA-C 110.649 -0.98 . . . . 0.84 110.649 173.7 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 51.9 t -109.18 120.51 60.64 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.761 0 CA-C-O 121.026 0.441 . . . . 1.3 111.097 -172.786 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.451 ' HB ' ' HB2' ' A' ' 61' ' ' LEU . 90.0 m -104.44 102.57 12.22 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.785 -0.643 . . . . 0.45 109.371 173.539 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 15.0 tppt? -81.06 123.15 28.14 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.895 -0.593 . . . . 0.79 109.804 -178.443 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.489 ' O ' ' HG2' ' A' ' 58' ' ' MET . 89.8 mttt -119.28 122.07 41.05 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 111.899 0.333 . . . . 1.96 111.899 -176.821 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.551 ' HB3' HD23 ' A' ' 8' ' ' LEU . 76.0 m-85 -123.02 137.5 54.93 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.005 -0.739 . . . . 0.54 109.005 168.116 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.545 ' HG3' ' HB3' ' A' ' 57' ' ' ASP . 1.0 OUTLIER -161.4 157.78 25.76 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.955 0.407 . . . . 3.17 111.042 -173.469 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 17.6 m120 -64.81 144.09 57.49 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 108.83 -0.804 . . . . 1.85 108.83 172.043 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.74 141.34 58.8 Favored 'General case' 0 CA--C 1.514 -0.412 0 CA-C-O 121.695 0.759 . . . . 0.87 110.735 -175.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.25 -28.53 68.79 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 114.377 -1.283 . . . . 1.48 111.113 -172.103 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 5.9 m -58.3 -9.14 1.37 Allowed 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 112.759 0.652 . . . . 2.37 112.759 174.58 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 68.52 29.6 72.97 Favored Glycine 0 C--N 1.334 0.419 0 C-N-CA 120.98 -0.629 . . . . 1.91 112.672 179.719 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 30.7 mtpp -106.57 145.08 30.31 Favored Pre-proline 0 C--N 1.324 -0.528 0 CA-C-O 120.801 0.334 . . . . 3.17 110.805 -177.35 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.526 ' O ' ' HB3' ' A' ' 54' ' ' ASP . 74.4 Cg_endo -73.29 147.25 41.65 Favored 'Trans proline' 0 C--O 1.237 0.437 0 C-N-CA 122.915 2.41 . . . . 1.84 111.576 179.608 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.526 ' HB3' ' O ' ' A' ' 53' ' ' PRO . 0.9 OUTLIER 78.52 -41.51 0.3 Allowed 'General case' 0 N--CA 1.467 0.423 0 O-C-N 123.871 0.732 . . . . 2.44 110.491 178.621 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.443 ' HD3' ' HB2' ' A' ' 73' ' ' ALA . 21.8 mmt180 -67.42 127.65 33.5 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-O 121.644 0.735 . . . . 4.1 111.115 171.671 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.48 ' CE1' ' HB2' ' A' ' 3' ' ' LEU . 83.1 m-85 -126.64 174.06 9.0 Favored 'General case' 0 C--N 1.31 -1.117 0 CA-C-N 114.908 -1.042 . . . . 0.97 109.901 175.572 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.659 ' OD2' ' HA ' ' A' ' 70' ' ' LYS . 16.4 t70 -133.68 146.9 51.27 Favored 'General case' 0 C--N 1.315 -0.892 0 N-CA-C 108.801 -0.814 . . . . 1.1 108.801 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.489 ' HG2' ' O ' ' A' ' 44' ' ' LYS . 1.4 tmt? -149.27 136.85 20.25 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 121.037 -0.265 . . . . 0.98 110.734 -173.335 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.457 ' HG2' ' HA ' ' A' ' 68' ' ' HIS . 47.9 mt-10 -135.74 155.16 50.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.503 0.668 . . . . 1.11 112.534 -176.862 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.574 ' HB2' ' OG1' ' A' ' 67' ' ' THR . 83.1 m-20 -127.77 98.06 5.05 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 114.571 -1.195 . . . . 1.17 109.65 176.786 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.451 ' HB2' ' HB ' ' A' ' 42' ' ' THR . 84.0 mt -96.48 132.45 42.03 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 109.964 -0.384 . . . . 1.67 109.964 177.667 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.649 ' HA ' ' O ' ' A' ' 40' ' ' GLY . 44.4 p -135.42 -154.05 0.55 Allowed 'General case' 0 N--CA 1.448 -0.536 0 CA-C-N 116.543 -0.298 . . . . 0.45 110.4 -176.445 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.406 HG23 ' H ' ' A' ' 40' ' ' GLY . 47.8 p -106.24 -32.92 7.98 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 121.414 0.626 . . . . 0.54 110.733 179.303 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.492 ' HG3' ' CG1' ' A' ' 35' ' ' VAL . 10.0 mmpt? -106.56 -11.91 15.75 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.865 -0.607 . . . . 2.24 111.327 -174.471 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.505 ' HE3' ' O ' ' A' ' 82' ' ' ALA . 4.5 tmtt? -146.2 -150.67 0.34 Allowed 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.118 0.485 . . . . 1.82 110.808 -176.686 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.483 ' H ' ' HD2' ' A' ' 65' ' ' LYS . 3.8 p30 161.58 123.42 0.0 OUTLIER 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 114.32 -1.309 . . . . 2.12 108.263 -171.285 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.574 ' OG1' ' HB2' ' A' ' 60' ' ' ASN . 49.3 p -136.48 141.07 43.47 Favored 'General case' 0 C--N 1.315 -0.92 0 N-CA-C 108.701 -0.852 . . . . 0.56 108.701 178.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.457 ' HA ' ' HG2' ' A' ' 59' ' ' GLU . 0.4 OUTLIER -138.69 91.44 2.53 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 122.064 0.935 . . . . 1.95 111.666 -169.97 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 2.9 m-70 -68.76 85.72 0.32 Allowed 'General case' 0 C--N 1.313 -0.982 0 CA-C-N 114.806 -1.088 . . . . 0.39 109.66 177.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.659 ' HA ' ' OD2' ' A' ' 57' ' ' ASP . 30.7 mtmt -79.43 118.92 21.76 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.762 0.653 . . . . 2.3 112.762 -175.493 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 9.1 t70 59.06 77.73 0.29 Allowed 'General case' 0 N--CA 1.469 0.518 0 O-C-N 123.875 0.734 . . . . 2.07 111.632 168.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' TRP . . . . . 0.429 ' HE1' ' N ' ' A' ' 58' ' ' MET . 66.7 p-90 -125.05 163.2 22.88 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.17 -0.468 . . . . 0.43 111.138 -178.705 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.534 ' O ' ' HB3' ' A' ' 76' ' ' GLU . . . -124.71 150.35 46.27 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.964 -0.562 . . . . 0.55 110.276 172.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.657 HD13 ' H ' ' A' ' 74' ' ' LEU . 0.0 OUTLIER -67.55 140.68 56.98 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-O 121.657 0.741 . . . . 1.71 109.788 170.524 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 84.74 2.54 88.62 Favored Glycine 0 C--N 1.312 -0.76 0 CA-C-N 115.021 -0.991 . . . . 0.59 112.09 -169.735 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.534 ' HB3' ' O ' ' A' ' 73' ' ' ALA . 43.0 tt0 -107.17 150.71 26.31 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 121.153 0.501 . . . . 2.37 111.364 -177.208 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -120.67 118.54 30.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.291 -0.868 . . . . 1.4 109.142 178.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 38.5 p90 -139.34 159.7 41.55 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.532 0.206 . . . . 0.57 110.763 -175.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 54.5 tt0 -92.75 152.86 19.25 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.482 -0.326 . . . . 1.95 110.393 178.669 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.418 ' HB3' ' CD1' ' A' ' 90' ' ' ILE . 25.3 t0 -166.74 175.9 7.52 Favored 'General case' 0 C--O 1.236 0.36 0 N-CA-C 109.726 -0.472 . . . . 1.26 109.726 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.429 ' HG2' HE22 ' A' ' 87' ' ' GLN . 16.9 mt-10 -80.2 128.57 33.68 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.946 -0.391 . . . . 2.13 109.946 -179.423 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.505 ' O ' ' HE3' ' A' ' 65' ' ' LYS . . . -80.56 153.92 27.78 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 116.041 -0.527 . . . . 0.95 111.428 173.839 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.514 HD22 ' H ' ' A' ' 83' ' ' LEU . 3.1 mm? -58.43 -24.81 61.19 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 122.208 1.004 . . . . 1.34 109.1 171.071 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -81.05 1.76 30.06 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 113.762 -1.563 . . . . 1.55 111.134 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 55.9 m 67.14 42.73 2.26 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 115.356 -0.838 . . . . 1.21 112.316 178.019 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 1.9 p -127.55 160.44 31.54 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.851 -0.613 . . . . 0.93 110.139 173.46 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.429 HE22 ' HG2' ' A' ' 81' ' ' GLU . 25.8 mm-40 -91.97 81.08 5.13 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.106 -0.701 . . . . 1.88 109.106 -178.293 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . 0.482 ' HA ' HG13 ' A' ' 107' ' ' VAL . 9.6 p-80 -101.75 155.26 18.23 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.276 -0.875 . . . . 1.04 112.637 -160.567 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 20.3 ttmm -72.83 140.8 47.86 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 114.853 -1.067 . . . . 1.49 110.919 176.573 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.418 ' CD1' ' HB3' ' A' ' 80' ' ' ASP . 63.7 mt -132.66 145.65 34.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 116.139 -0.482 . . . . 0.54 110.401 177.301 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 49.1 m -135.28 129.29 33.33 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 116.356 -0.384 . . . . 0.43 109.974 170.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -108.51 138.53 44.66 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 108.875 -0.787 . . . . 0.6 108.875 177.214 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -161.02 145.85 13.92 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 110.015 -0.365 . . . . 1.69 110.015 -178.795 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.472 ' HB2' ' HB2' ' A' ' 1' ' ' LYS . 2.7 mm? -88.95 118.3 28.57 Favored 'General case' 0 C--N 1.317 -0.84 0 N-CA-C 109.247 -0.649 . . . . 1.12 109.247 175.683 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 52.4 tttp -92.1 -53.84 4.08 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 108.814 -0.81 . . . . 3.03 108.814 -175.601 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -123.46 163.05 36.75 Favored Pre-proline 0 C--N 1.32 -0.707 0 N-CA-C 108.201 -1.037 . . . . 1.79 108.201 173.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_exo -67.71 4.39 1.42 Allowed 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.998 2.465 . . . . 0.98 112.386 -176.271 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . 0.454 ' C ' ' HZ ' ' A' ' 7' ' ' PHE . 54.6 m-80 -142.58 24.57 1.89 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.521 -0.763 . . . . 2.32 109.975 178.828 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 55.5 m -152.33 108.31 3.37 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 121.22 0.533 . . . . 0.56 111.766 179.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.43 ' CD1' HD21 ' A' ' 3' ' ' LEU . 0.4 OUTLIER -82.63 151.81 26.15 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 107.884 -1.154 . . . . 1.1 107.884 171.179 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.479 HG22 ' HG2' ' A' ' 117' ' ' GLU . 19.6 p -129.51 136.17 49.52 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 118.925 0.784 . . . . 0.41 111.507 175.589 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -118.41 103.07 9.42 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.67 -0.695 . . . . 1.31 109.685 174.35 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 36.1 m -85.98 101.92 13.33 Favored 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 108.904 -0.776 . . . . 0.51 108.904 176.587 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . 0.481 ' HB2' ' CD2' ' A' ' 88' ' ' HIS . 6.5 p80 -102.92 106.35 16.88 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.696 0.76 . . . . 1.69 110.71 -175.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 10.9 mt -99.17 121.48 49.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 114.41 -1.268 . . . . 0.75 111.695 -174.74 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -62.56 112.74 2.61 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.02 -0.536 . . . . 1.61 110.681 171.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.482 HG13 ' HA ' ' A' ' 88' ' ' HIS . 14.6 m -63.67 -18.96 23.23 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 115.507 -0.769 . . . . 1.32 111.782 176.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -73.04 -44.77 60.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.321 0.581 . . . . 2.5 110.208 178.034 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -151.88 102.23 2.85 Favored Pre-proline 0 C--N 1.323 -0.548 0 CA-C-N 115.23 -0.896 . . . . 2.39 109.06 177.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -74.2 19.98 0.42 Allowed 'Trans proline' 0 C--N 1.33 -0.437 0 C-N-CA 123.239 2.626 . . . . 0.9 114.283 -175.059 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 62.7 p -113.46 -7.88 13.41 Favored 'General case' 0 C--N 1.328 -0.327 0 O-C-N 121.931 -0.48 . . . . 1.47 110.659 172.129 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -102.08 29.27 5.17 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 122.101 0.953 . . . . 1.59 109.306 177.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 17.7 m -82.44 -175.36 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 114.88 -1.054 . . . . 1.6 111.699 -172.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.509 ' HG3' ' OH ' ' A' ' 22' ' ' TYR . 0.0 OUTLIER -167.06 170.21 12.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.95 -0.568 . . . . 2.78 110.712 174.744 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 90.5 m -135.77 132.93 37.41 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.063 -0.517 . . . . 0.53 111.126 -178.714 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' TYR . . . . . 0.493 ' HB3' ' SD ' ' A' ' 127' ' ' MET . 36.5 m-85 -91.99 150.84 20.78 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 107.477 -1.305 . . . . 0.96 107.477 172.006 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . 0.479 ' HG2' HG22 ' A' ' 101' ' ' THR . 28.4 mt-10 -131.46 99.77 4.93 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 107.696 -1.224 . . . . 1.27 107.696 174.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 89.8 m-85 -80.57 97.62 7.26 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 116.268 -0.424 . . . . 0.6 110.682 -175.338 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . 0.518 ' HG3' ' HB ' ' A' ' 126' ' ' VAL . 2.9 ptp180 -102.95 157.94 16.63 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.967 -0.56 . . . . 3.41 110.214 177.769 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 11.6 tpt180 -108.52 114.25 27.92 Favored 'General case' 0 C--N 1.317 -0.825 0 N-CA-C 109.529 -0.545 . . . . 1.96 109.529 176.267 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -114.02 79.53 1.27 Allowed 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.34 -0.615 . . . . 1.08 109.34 179.749 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 81.56 -120.98 5.29 Favored Glycine 0 N--CA 1.444 -0.775 0 CA-C-N 115.433 -0.803 . . . . 0.92 111.661 -177.761 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 23.8 m-20 -93.45 2.34 56.51 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.845 0.355 . . . . 2.31 110.464 -179.725 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . 0.69 ' CD2' ' HB3' ' A' ' 141' ' ' LYS . 95.3 m-85 -112.88 129.86 56.31 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.204 0.526 . . . . 0.67 111.458 -175.265 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -79.57 115.53 19.25 Favored 'General case' 0 N--CA 1.442 -0.834 0 N-CA-C 106.423 -1.695 . . . . 1.03 106.423 169.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.518 ' HB ' ' HG3' ' A' ' 119' ' ' ARG . 86.9 t -109.52 121.61 62.8 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.047 0 C-N-CA 120.231 -0.588 . . . . 0.47 110.551 -170.126 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' MET . . . . . 0.493 ' SD ' ' HB3' ' A' ' 116' ' ' TYR . 44.7 tpp -76.91 122.22 24.55 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 115.16 -0.927 . . . . 1.08 109.249 175.51 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 14.7 tptm -115.88 107.96 15.68 Favored 'General case' 0 C--N 1.312 -1.037 0 N-CA-C 108.413 -0.958 . . . . 2.2 108.413 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 32.9 ttp -136.38 137.78 40.91 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 109.714 -0.476 . . . . 1.11 109.714 -176.486 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . 0.406 ' HA ' ' O ' ' A' ' 134' ' ' VAL . 12.1 p -143.28 129.07 19.37 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.295 0.569 . . . . 1.06 111.895 -176.745 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' TRP . . . . . . . . . . . . . 63.4 t-105 -136.36 129.52 31.44 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.09 -0.959 . . . . 0.76 109.69 -178.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 24.8 mtpp 54.98 44.8 27.66 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.237 0.541 . . . . 1.96 111.782 -178.461 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 78.18 -12.18 20.06 Favored Glycine 0 N--CA 1.451 -0.309 0 CA-C-N 115.776 -0.647 . . . . 0.53 113.063 178.347 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . 0.406 ' O ' ' HA ' ' A' ' 130' ' ' SER . 47.0 t -88.74 107.72 18.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-O 120.861 0.362 . . . . 0.43 110.651 -178.122 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -97.18 139.28 33.39 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.027 -0.533 . . . . 1.14 111.062 178.644 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 3.9 t -131.62 133.69 45.21 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.803 -0.635 . . . . 0.4 110.114 176.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 69.6 m -112.06 123.85 51.14 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.865 -0.42 . . . . 0.79 109.865 175.198 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . 0.49 ' HB3' ' HB3' ' A' ' 127' ' ' MET . 15.7 ttp-105 -116.78 128.98 55.81 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 109.602 -0.518 . . . . 1.84 109.602 -179.13 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 53.6 m-85 -100.53 114.39 27.98 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.884 -0.598 . . . . 0.64 111.296 -167.419 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 -108.67 146.46 33.41 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.324 -0.853 . . . . 0.6 109.539 177.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . 0.69 ' HB3' ' CD2' ' A' ' 124' ' ' TYR . 0.0 OUTLIER -137.04 159.93 40.45 Favored 'General case' 0 C--N 1.31 -1.124 0 N-CA-C 107.927 -1.138 . . . . 1.92 107.927 175.862 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . 0.632 ' O ' ' HD3' ' A' ' 141' ' ' LYS . 13.2 tmtt? -44.8 153.35 0.18 Allowed 'General case' 0 CA--C 1.553 1.06 0 CA-C-O 121.421 0.629 . . . . 2.13 112.59 -174.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . 0.454 ' HG3' HG22 ' A' ' 10' ' ' THR . 41.8 mm-40 . . . . . 0 C--O 1.247 0.947 0 O-C-N 121.094 -1.004 . . . . 1.46 111.239 168.387 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1001 ' ' OLA . . . . . 0.731 H182 ' H41' ' A' 1001 ' ' OLA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' -11' ' ' MET . . . . . . . . . . . . . 73.2 mtm . . . . . 0 N--CA 1.482 1.128 0 CA-C-O 120.709 0.29 . . . . 14.47 111.01 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' -10' ' ' ARG . . . . . 0.419 ' HD2' ' N ' ' A' ' -10' ' ' ARG . 4.5 mpt_? -86.75 -76.43 0.36 Allowed 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 110.029 -0.36 . . . . 15.82 110.029 -179.601 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' -9' ' ' GLY . . . . . . . . . . . . . . . -91.47 -166.14 40.06 Favored Glycine 0 N--CA 1.446 -0.678 0 N-CA-C 111.329 -0.708 . . . . 11.88 111.329 176.246 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' -8' ' ' SER . . . . . . . . . . . . . 30.1 m 63.19 84.28 0.15 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.355 0.598 . . . . 11.68 110.777 -177.58 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' -7' ' ' HIS . . . . . . . . . . . . . 83.6 t60 -82.83 62.97 6.7 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.805 -0.634 . . . . 11.79 109.966 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' -6' ' ' HIS . . . . . . . . . . . . . 61.2 m-70 70.56 -58.98 0.54 Allowed 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 115.186 -0.915 . . . . 10.98 112.043 178.571 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' -5' ' ' HIS . . . . . . . . . . . . . 9.6 p80 -131.91 124.92 30.45 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.943 0.401 . . . . 9.31 111.282 -176.334 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' -4' ' ' HIS . . . . . . . . . . . . . 24.2 m80 -93.53 -64.46 1.09 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.868 -0.606 . . . . 10.54 110.456 175.17 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' -3' ' ' HIS . . . . . . . . . . . . . 7.7 p80 -115.53 5.44 14.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 8.73 110.933 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 2.7 m170 -80.18 107.07 12.68 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 108.781 -0.822 . . . . 7.06 108.781 167.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 70.69 -168.66 49.1 Favored Glycine 0 N--CA 1.443 -0.837 0 C-N-CA 120.315 -0.945 . . . . 3.5 111.065 -174.539 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 33.2 m -140.67 -165.69 1.98 Allowed 'General case' 0 C--N 1.317 -0.831 0 CA-C-O 121.037 0.446 . . . . 3.11 110.918 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 39.7 mttm -94.62 174.75 6.96 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.629 -0.714 . . . . 2.99 109.519 175.427 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 29.6 m -94.43 144.32 25.66 Favored 'General case' 0 C--N 1.308 -1.208 0 N-CA-C 108.232 -1.025 . . . . 0.99 108.232 167.689 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.541 ' HB2' ' CE1' ' A' ' 56' ' ' TYR . 2.7 mt -61.68 119.88 51.44 Favored Pre-proline 0 CA--C 1.516 -0.359 0 CA-C-O 120.712 0.291 . . . . 0.59 110.831 -177.571 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_endo -72.17 140.01 33.44 Favored 'Trans proline' 0 N--CA 1.451 -1.008 0 C-N-CA 122.074 1.849 . . . . 0.61 110.88 175.604 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.462 ' HA ' HD12 ' A' ' 8' ' ' LEU . 7.3 t70 -51.83 -25.99 8.94 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 114.915 -1.039 . . . . 2.19 112.164 -176.157 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp -44.15 -45.64 8.37 Favored 'General case' 0 CA--C 1.531 0.242 0 N-CA-C 112.415 0.524 . . . . 2.53 112.415 174.202 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.406 ' CD1' ' HG2' ' A' ' 120' ' ' ARG . 49.3 m-85 -91.8 5.91 48.09 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.811 -0.356 . . . . 0.6 111.827 -172.362 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.462 HD12 ' HA ' ' A' ' 5' ' ' ASP . 97.1 mt -101.68 135.6 42.93 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.452 0.644 . . . . 0.46 111.657 -174.235 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 139.85 174.07 13.55 Favored Glycine 0 N--CA 1.442 -0.902 0 CA-C-N 114.706 -1.133 . . . . 0.52 111.282 -177.202 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 7.1 m -110.42 132.67 53.97 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 109.616 -0.513 . . . . 1.05 109.616 177.006 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.638 ' HA ' ' HA ' ' A' ' 142' ' ' LYS . 14.6 m-85 -128.02 138.91 52.77 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 111.761 0.282 . . . . 0.47 111.761 -173.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' ' 141' ' ' LYS . 47.8 mtpt -77.65 -167.57 0.99 Allowed 'General case' 0 CA--C 1.532 0.279 0 CA-C-O 120.968 0.413 . . . . 2.19 109.984 168.326 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 52.7 tp -129.4 117.56 20.77 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.174 -0.676 . . . . 1.14 109.174 -176.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -106.52 -44.63 4.45 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 120.55 -0.46 . . . . 2.08 112.228 -173.371 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 10.5 tpt180 -142.78 154.33 44.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.239 0.543 . . . . 3.36 111.915 -173.793 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -142.06 147.36 36.67 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.492 -0.776 . . . . 1.19 109.232 173.683 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 32.1 mm-40 -138.41 126.35 22.54 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.646 -0.252 . . . . 2.66 110.94 -175.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 62.9 t30 70.03 23.2 5.45 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-O 121.698 0.761 . . . . 0.76 110.676 176.1 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 39.8 t80 -76.8 -39.74 50.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.46 -0.791 . . . . 0.49 111.353 -173.602 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.409 ' OD1' ' HD2' ' A' ' 33' ' ' ARG . 10.8 t0 -56.75 -51.01 70.52 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.904 0.383 . . . . 2.04 110.103 176.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 31.1 mm-40 -53.33 -42.61 66.9 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-N 115.578 -0.737 . . . . 1.79 110.855 177.784 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 89.1 t80 -60.42 -40.7 92.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.912 -0.585 . . . . 0.57 111.136 177.264 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 76.4 mt -64.71 -38.78 92.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.725 0.297 . . . . 0.37 110.497 -178.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 54.6 mttm -61.73 -47.83 83.46 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.439 0.637 . . . . 1.88 109.754 177.564 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.17 -40.44 89.96 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 114.764 -1.107 . . . . 0.44 111.418 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.432 HH11 ' HD2' ' A' ' 26' ' ' ARG . 12.0 mmm180 -70.79 -13.79 62.18 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.951 -0.568 . . . . 1.29 111.745 -179.074 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 95.79 26.26 11.97 Favored Glycine 0 N--CA 1.446 -0.679 0 C-N-CA 120.44 -0.886 . . . . 0.62 112.702 177.351 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 71.5 m-85 -96.13 122.06 38.57 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.009 0.433 . . . . 0.64 110.301 178.169 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -83.48 -168.52 43.55 Favored Glycine 0 N--CA 1.446 -0.695 0 CA-C-N 115.516 -0.766 . . . . 1.54 111.829 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.486 ' O ' ' HG2' ' A' ' 34' ' ' GLN . 66.9 t90 -53.06 -47.25 68.61 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 112.337 0.495 . . . . 1.18 112.337 -175.733 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.704 ' H ' HD12 ' A' ' 31' ' ' ILE . 3.6 mp -55.12 -60.23 1.79 Allowed 'Isoleucine or valine' 0 CA--C 1.503 -0.828 0 CA-C-O 121.416 0.627 . . . . 2.16 110.294 -174.274 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.508 ' O ' HG13 ' A' ' 36' ' ' ILE . 62.6 mmm -64.47 -32.1 73.59 Favored 'General case' 0 N--CA 1.427 -1.601 0 CA-C-N 115.157 -0.929 . . . . 0.97 110.763 -175.788 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.409 ' HD2' ' OD1' ' A' ' 20' ' ' ASP . 18.7 ttp180 -67.24 -28.94 68.47 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.908 -0.587 . . . . 1.87 110.293 -177.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.591 ' O ' HD23 ' A' ' 38' ' ' LEU . 12.5 mm100 -78.45 -25.94 46.05 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.978 -0.555 . . . . 1.97 111.119 176.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 90.7 t -85.49 -62.16 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-O 120.83 0.348 . . . . 0.68 110.79 178.112 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.517 HG23 ' H51' ' A' 1001 ' ' OLA . 56.0 mt -48.03 -44.38 11.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.234 -0.894 . . . . 0.51 113.192 -178.419 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 46.4 mtmt -74.53 -29.37 61.36 Favored 'General case' 0 N--CA 1.467 0.405 0 O-C-N 121.955 -0.466 . . . . 0.97 111.769 -178.607 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.591 HD23 ' O ' ' A' ' 34' ' ' GLN . 3.9 mm? -96.36 22.29 8.01 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.198 0.523 . . . . 2.08 110.425 -176.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -115.63 123.61 48.84 Favored 'General case' 0 N--CA 1.443 -0.787 0 CA-C-N 115.612 -0.722 . . . . 1.03 110.126 177.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -82.88 161.65 40.2 Favored Glycine 0 N--CA 1.444 -0.802 0 N-CA-C 110.409 -1.077 . . . . 0.84 110.409 174.062 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.983 ' HB ' HG22 ' A' ' 62' ' ' THR . 0.5 OUTLIER -153.98 139.3 10.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-O 121.34 0.591 . . . . 1.3 111.464 -176.853 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 58.9 m -113.26 122.42 47.4 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 114.997 -1.001 . . . . 0.45 110.121 -178.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.617 ' HE2' ' SD ' ' A' ' 127' ' ' MET . 39.1 mmtm -87.18 130.27 34.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.352 -0.386 . . . . 0.79 110.151 178.292 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.454 ' O ' ' HA ' ' A' ' 58' ' ' MET . 41.2 ttmt -131.23 101.64 5.65 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.619 0.247 . . . . 1.96 111.338 -176.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 80.8 m-85 -108.62 130.78 55.31 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 108.858 -0.793 . . . . 0.54 108.858 177.212 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.494 ' HG3' ' HB3' ' A' ' 57' ' ' ASP . 33.7 ptt180 -161.67 172.33 16.44 Favored 'General case' 0 C--N 1.318 -0.791 0 C-N-CA 120.925 -0.31 . . . . 3.17 110.864 -177.322 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 24.8 m-80 -66.55 157.99 30.89 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.363 -0.606 . . . . 1.85 109.363 171.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.403 ' HA ' ' HB2' ' A' ' 57' ' ' ASP . . . -59.03 161.79 4.8 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.069 0.396 . . . . 0.87 112.069 -176.443 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -41.4 -60.0 1.41 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.532 -0.758 . . . . 1.48 112.745 179.448 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 48.5 t -64.36 -39.12 93.25 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.412 0.625 . . . . 2.37 109.346 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 112.05 46.66 0.75 Allowed Glycine 0 N--CA 1.452 -0.236 0 CA-C-N 115.302 -0.863 . . . . 1.91 112.259 176.012 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 57.1 mtpt -94.26 147.57 33.58 Favored Pre-proline 0 C--N 1.321 -0.664 0 CA-C-O 120.741 0.305 . . . . 3.17 110.809 -176.494 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.401 ' C ' ' H ' ' A' ' 55' ' ' ARG . 74.2 Cg_endo -74.68 148.09 36.34 Favored 'Trans proline' 0 N--CA 1.458 -0.615 0 C-N-CA 122.45 2.1 . . . . 1.84 111.11 174.804 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 67.92 -1.81 1.62 Allowed 'General case' 0 N--CA 1.475 0.781 0 CA-C-N 116.256 -0.429 . . . . 2.44 111.155 178.156 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.401 ' H ' ' C ' ' A' ' 53' ' ' PRO . 0.1 OUTLIER -124.91 111.13 15.09 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.813 -1.181 . . . . 4.1 107.813 176.737 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.541 ' CE1' ' HB2' ' A' ' 3' ' ' LEU . 96.5 m-85 -118.15 175.99 5.43 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-O 121.418 0.627 . . . . 0.97 112.148 -170.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.494 ' HB3' ' HG3' ' A' ' 46' ' ' ARG . 13.7 t70 -128.55 130.3 47.21 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 114.816 -1.084 . . . . 1.1 108.675 -179.049 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.454 ' HA ' ' O ' ' A' ' 44' ' ' LYS . 10.6 tpt -135.49 124.39 24.09 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 120.826 0.346 . . . . 0.98 110.53 -175.84 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.553 ' HG3' ' O ' ' A' ' 67' ' ' THR . 39.5 tt0 -132.32 145.76 51.5 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 121.029 0.442 . . . . 1.11 111.424 -174.025 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.455 ' HB2' ' OG1' ' A' ' 67' ' ' THR . 47.6 m-80 -124.37 104.64 8.89 Favored 'General case' 0 CA--C 1.517 -0.314 0 CA-C-N 115.7 -0.682 . . . . 1.17 109.772 177.62 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.467 ' O ' ' HA ' ' A' ' 41' ' ' VAL . 87.3 mt -97.37 122.43 40.4 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 116.2 -0.455 . . . . 1.67 110.263 178.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.983 HG22 ' HB ' ' A' ' 41' ' ' VAL . 44.1 p -126.03 -163.99 1.27 Allowed 'General case' 0 N--CA 1.442 -0.841 0 N-CA-C 110.033 -0.358 . . . . 0.45 110.033 -177.528 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 72.2 p -95.85 -22.4 17.49 Favored 'General case' 0 C--N 1.314 -0.948 0 CA-C-O 121.18 0.514 . . . . 0.54 110.646 -178.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 73.7 mmtt -116.25 -15.72 11.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.778 -0.646 . . . . 2.24 111.708 -175.411 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.437 ' HB3' ' H ' ' A' ' 66' ' ' ASP . 29.5 mmmt -137.9 -156.08 0.66 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.205 0.526 . . . . 1.82 112.218 -171.35 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.437 ' H ' ' HB3' ' A' ' 65' ' ' LYS . 7.1 t70 167.46 130.29 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 114.351 -1.295 . . . . 2.12 108.47 -170.684 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.555 HG22 ' O ' ' A' ' 81' ' ' GLU . 75.2 p -144.58 140.46 28.78 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 108.967 -0.753 . . . . 0.56 108.967 -178.802 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 7.5 t-160 -136.05 93.8 2.97 Favored 'General case' 0 C--N 1.321 -0.657 0 C-N-CA 120.311 -0.556 . . . . 1.95 110.76 -176.299 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 8.7 m-70 -75.43 86.11 2.57 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 108.455 -0.942 . . . . 0.39 108.455 175.507 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -86.94 122.34 30.65 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 112.426 0.528 . . . . 2.3 112.426 -175.444 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.7 t70 59.94 72.15 0.54 Allowed 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 114.863 -1.062 . . . . 2.07 111.476 172.358 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 68.9 p-90 -119.98 152.85 36.84 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.89 -0.595 . . . . 0.43 110.535 178.119 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -118.72 155.14 31.6 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 116.37 -0.377 . . . . 0.55 110.464 177.05 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.713 HD21 HD23 ' A' ' 94' ' ' LEU . 4.2 mp -58.46 138.09 56.9 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.335 0.588 . . . . 1.71 111.288 173.066 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 77.38 7.56 87.0 Favored Glycine 0 N--CA 1.448 -0.502 0 CA-C-N 115.033 -0.985 . . . . 0.59 112.413 -176.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -100.49 148.93 24.22 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.069 0.462 . . . . 2.37 110.619 -177.33 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.511 ' HA ' ' O ' ' A' ' 90' ' ' ILE . 40.5 tt0 -123.19 114.98 21.01 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.205 -0.907 . . . . 1.4 108.817 -179.608 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 38.2 p90 -129.24 153.99 47.23 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 116.586 -0.279 . . . . 0.57 110.957 -174.558 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 28.4 tt0 -83.96 142.29 30.62 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.43 -0.581 . . . . 1.95 109.43 176.048 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.424 ' HB3' HD12 ' A' ' 90' ' ' ILE . 6.3 t70 -149.02 169.25 21.05 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.753 0.311 . . . . 1.26 110.806 -171.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.555 ' O ' HG22 ' A' ' 67' ' ' THR . 24.3 mt-10 -109.41 85.99 2.2 Favored 'General case' 0 CA--C 1.515 -0.376 0 N-CA-C 108.806 -0.813 . . . . 2.13 108.806 -179.483 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -80.33 174.85 11.19 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 113.763 1.023 . . . . 0.95 113.763 -164.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.505 HD22 ' H ' ' A' ' 83' ' ' LEU . 3.0 mm? -55.39 -33.81 63.79 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 121.537 0.684 . . . . 1.34 110.073 179.392 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.436 ' HA ' H142 ' A' 1001 ' ' OLA . 5.1 p30 -71.26 0.75 7.23 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 114.726 -1.125 . . . . 1.55 111.786 -177.605 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 37.1 m 66.81 27.25 9.2 Favored 'General case' 0 C--O 1.234 0.276 0 N-CA-C 112.421 0.526 . . . . 1.21 112.421 173.703 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.543 ' OG1' ' HD2' ' A' ' 88' ' ' HIS . 21.0 p -122.46 164.66 17.67 Favored 'General case' 0 C--O 1.24 0.596 0 C-N-CA 120.803 -0.359 . . . . 0.93 110.945 174.707 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 23.2 mm-40 -105.3 88.43 2.85 Favored 'General case' 0 CA--C 1.511 -0.522 0 N-CA-C 108.992 -0.744 . . . . 1.88 108.992 -175.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . 0.575 ' HB2' ' O ' ' A' ' 105' ' ' ILE . 21.1 p80 -132.5 175.34 9.38 Favored 'General case' 0 C--N 1.313 -1.013 0 C-N-CA 119.866 -0.734 . . . . 1.04 111.633 -168.259 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 60.3 pttt -84.23 149.7 25.94 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.751 -0.659 . . . . 1.49 110.639 -174.562 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.511 ' O ' ' HA ' ' A' ' 77' ' ' GLU . 47.5 mt -142.54 136.62 27.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.303 -0.862 . . . . 0.54 110.347 -177.375 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 28.8 m -120.37 138.75 53.57 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.462 -0.335 . . . . 0.43 110.704 176.648 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.42 ' CE1' ' HG3' ' A' ' 102' ' ' GLU . 7.3 m-85 -119.83 138.9 53.1 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.93 -0.577 . . . . 0.6 109.534 176.499 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.458 ' O ' HD12 ' A' ' 100' ' ' LEU . 8.2 p-10 -171.58 173.51 4.67 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.735 0.302 . . . . 1.69 110.384 -179.411 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.713 HD23 HD21 ' A' ' 74' ' ' LEU . 1.5 mm? -100.67 119.15 38.16 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.993 0.425 . . . . 1.12 110.093 179.802 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -88.13 -49.89 6.73 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.44 -0.8 . . . . 3.03 109.497 -176.642 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -129.68 166.59 24.86 Favored Pre-proline 0 C--N 1.32 -0.705 0 N-CA-C 108.053 -1.091 . . . . 1.79 108.053 177.056 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_exo -65.68 6.63 0.41 Allowed 'Trans proline' 0 N--CA 1.476 0.462 0 C-N-CA 123.031 2.487 . . . . 0.98 113.151 -176.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -150.98 26.49 0.72 Allowed 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.561 -0.533 . . . . 2.32 109.561 175.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 28.0 m -141.63 107.05 5.02 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 116.169 -0.469 . . . . 0.56 111.575 -177.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.485 ' HB3' ' HB2' ' A' ' 118' ' ' TYR . 18.2 tp -92.57 130.18 38.29 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.265 -0.643 . . . . 1.1 109.265 173.691 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.518 HG22 ' HG2' ' A' ' 117' ' ' GLU . 0.8 OUTLIER -110.53 137.31 48.39 Favored 'General case' 0 C--N 1.32 -0.68 0 O-C-N 121.542 -0.724 . . . . 0.41 112.587 -174.355 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.42 ' HG3' ' CE1' ' A' ' 92' ' ' PHE . 25.5 tt0 -111.08 103.93 12.42 Favored 'General case' 0 N--CA 1.454 -0.24 0 N-CA-C 108.665 -0.865 . . . . 1.31 108.665 167.584 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 54.6 m -99.15 107.42 19.77 Favored 'General case' 0 C--N 1.316 -0.858 0 N-CA-C 109.153 -0.684 . . . . 0.51 109.153 178.199 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . 0.546 ' CE1' ' HB3' ' A' ' 114' ' ' GLU . 21.1 p80 -113.55 120.95 42.74 Favored 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 120.211 -0.596 . . . . 1.69 111.257 -175.643 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.645 HG12 HG23 ' A' ' 113' ' ' VAL . 37.2 mt -113.63 125.72 70.96 Favored 'Isoleucine or valine' 0 C--O 1.238 0.462 0 CA-C-N 115.119 -0.946 . . . . 0.75 110.56 -178.618 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.531 ' HA ' ' CB ' ' A' ' 88' ' ' HIS . 97.5 mttt -62.58 121.94 14.57 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.515 -0.766 . . . . 1.61 111.191 176.013 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.525 HG13 ' HA ' ' A' ' 88' ' ' HIS . 5.3 m -58.39 -26.68 31.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 114.75 -1.114 . . . . 1.32 111.166 176.005 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -84.23 -59.13 2.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.567 -0.742 . . . . 2.5 110.504 178.563 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.497 ' O ' ' HB2' ' A' ' 106' ' ' LYS . 20.4 m-20 -120.85 92.92 48.56 Favored Pre-proline 0 C--N 1.327 -0.39 0 CA-C-N 116.133 -0.485 . . . . 2.39 110.906 -179.212 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_endo -69.13 -5.27 15.41 Favored 'Trans proline' 0 N--CA 1.463 -0.314 0 C-N-CA 123.093 2.529 . . . . 0.9 111.657 176.216 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 16.9 p -73.81 -28.38 61.6 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 115.058 -0.974 . . . . 1.47 110.141 176.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -104.3 54.49 0.73 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.539 0.685 . . . . 1.59 110.354 -179.405 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.645 HG23 HG12 ' A' ' 105' ' ' ILE . 8.2 p -71.19 159.08 5.9 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.004 0 CA-C-N 115.334 -0.848 . . . . 1.6 110.52 174.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.546 ' HB3' ' CE1' ' A' ' 104' ' ' HIS . 29.1 tt0 -154.35 149.72 27.19 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.561 -0.533 . . . . 2.78 109.561 175.458 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 84.8 m -134.56 131.14 37.56 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.236 0.541 . . . . 0.53 111.326 -177.62 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 17.0 m-85 -102.31 149.83 23.94 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 108.268 -1.012 . . . . 0.96 108.268 175.268 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . 0.518 ' HG2' HG22 ' A' ' 101' ' ' THR . 33.0 mt-10 -133.28 126.15 30.82 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.21 -1.033 . . . . 1.27 108.21 -176.749 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . 0.485 ' HB2' ' HB3' ' A' ' 100' ' ' LEU . 64.5 m-85 -108.1 113.21 26.19 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-O 120.733 0.302 . . . . 0.6 111.318 -173.584 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . 0.405 HH11 ' HD2' ' A' ' 119' ' ' ARG . 31.9 mtm180 -116.34 161.95 18.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.864 -0.607 . . . . 3.41 110.183 178.096 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . 0.406 ' HG2' ' CD1' ' A' ' 7' ' ' PHE . 11.7 mmm-85 -114.42 134.86 54.68 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.833 0.349 . . . . 1.96 111.16 173.816 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . 0.574 ' HB3' HG21 ' A' ' 126' ' ' VAL . 32.2 t70 -151.57 97.5 2.39 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.432 -0.803 . . . . 1.08 109.2 175.343 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 74.09 -144.65 33.76 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.794 -0.717 . . . . 0.92 111.47 -176.659 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -85.81 29.59 0.7 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.983 0.897 . . . . 2.31 109.749 178.467 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . 0.471 ' CZ ' ' HE3' ' A' ' 141' ' ' LYS . 20.0 m-85 -122.76 132.18 54.11 Favored 'General case' 0 CA--C 1.51 -0.568 0 CA-C-N 115.363 -0.835 . . . . 0.67 111.295 -177.265 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.516 ' HB3' ' HB2' ' A' ' 140' ' ' TYR . 3.0 tm? -82.36 103.95 12.3 Favored 'General case' 0 N--CA 1.44 -0.947 0 N-CA-C 106.422 -1.695 . . . . 1.03 106.422 164.22 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.574 HG21 ' HB3' ' A' ' 121' ' ' ASP . 92.4 t -92.21 96.43 6.25 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 CA-C-O 121.957 0.884 . . . . 0.47 109.19 -173.29 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' MET . . . . . 0.617 ' SD ' ' HE2' ' A' ' 43' ' ' LYS . 20.6 ttt -90.25 142.03 28.12 Favored 'General case' 0 C--N 1.305 -1.358 0 CA-C-N 114.144 -1.389 . . . . 1.08 109.428 -175.612 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . 0.453 ' HB3' ' HB2' ' A' ' 117' ' ' GLU . 77.6 tttt -128.45 139.73 52.2 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-O 120.922 0.391 . . . . 2.2 110.14 -175.54 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' MET . . . . . 0.478 ' HB2' ' CG2' ' A' ' 136' ' ' THR . 45.8 mtp -136.8 132.1 34.23 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 108.399 -0.963 . . . . 1.11 108.399 178.46 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . 0.532 ' HA ' ' O ' ' A' ' 134' ' ' VAL . 10.3 p -138.46 127.18 23.58 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.364 0.602 . . . . 1.06 111.78 -179.415 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' TRP . . . . . 0.524 ' CD1' ' HG2' ' A' ' 132' ' ' LYS . 46.3 t-105 -146.76 134.49 21.14 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.153 -0.93 . . . . 0.76 109.656 177.785 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . 0.524 ' HG2' ' CD1' ' A' ' 131' ' ' TRP . 75.0 mmtt 54.72 41.16 32.12 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 123.717 0.636 . . . . 1.96 111.186 -175.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 75.84 -6.99 30.1 Favored Glycine 0 CA--C 1.519 0.291 0 CA-C-N 115.823 -0.626 . . . . 0.53 112.975 179.72 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . 0.532 ' O ' ' HA ' ' A' ' 130' ' ' SER . 33.4 t -85.53 105.65 14.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.861 0.331 . . . . 0.43 110.421 -179.246 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -98.51 124.3 43.17 Favored 'General case' 0 N--CA 1.443 -0.798 0 CA-C-O 121.363 0.601 . . . . 1.14 110.794 177.163 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . 0.478 ' CG2' ' HB2' ' A' ' 129' ' ' MET . 4.6 t -115.95 137.09 52.43 Favored 'General case' 0 C--N 1.309 -1.165 0 CA-C-N 115.097 -0.956 . . . . 0.4 109.905 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 4.1 p -101.18 120.34 40.09 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.658 0.742 . . . . 0.79 110.058 177.234 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . 0.556 ' HB3' ' HB3' ' A' ' 127' ' ' MET . 12.8 tpt180 -104.78 96.2 6.4 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-N 114.972 -1.013 . . . . 1.84 108.675 -177.659 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 77.6 m-85 -84.95 108.12 17.41 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.394 0.616 . . . . 0.64 111.843 -172.439 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 140' ' ' TYR . . . . . 0.516 ' HB2' ' HB3' ' A' ' 125' ' ' LEU . 52.2 m-85 -96.8 128.43 43.75 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.184 -0.916 . . . . 0.6 110.451 178.201 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . 0.471 ' HE3' ' CZ ' ' A' ' 124' ' ' TYR . 3.1 tppp? -103.1 127.16 50.47 Favored 'General case' 0 C--O 1.208 -1.125 0 N-CA-C 107.222 -1.399 . . . . 1.92 107.222 177.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . 0.638 ' HA ' ' HA ' ' A' ' 11' ' ' PHE . 80.8 tttt -47.63 167.48 0.02 OUTLIER 'General case' 0 CA--C 1.548 0.877 0 N-CA-C 113.568 0.951 . . . . 2.13 113.568 -171.172 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . 0.517 ' HA ' HE21 ' A' ' 143' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--O 1.248 0.987 0 O-C-N 121.346 -0.846 . . . . 1.46 109.988 166.14 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1001 ' ' OLA . . . . . 0.517 ' H51' HG23 ' A' ' 36' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' -11' ' ' MET . . . . . . . . . . . . . 14.6 tpt . . . . . 0 N--CA 1.483 1.217 0 CA-C-O 120.599 0.238 . . . . 14.47 111.397 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' -10' ' ' ARG . . . . . . . . . . . . . 11.5 tpp180 -86.23 82.92 7.85 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.321 0.581 . . . . 15.82 111.17 -175.652 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' -9' ' ' GLY . . . . . . . . . . . . . . . -119.15 49.57 0.86 Allowed Glycine 0 N--CA 1.45 -0.427 0 N-CA-C 110.877 -0.889 . . . . 11.88 110.877 176.258 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' -8' ' ' SER . . . . . . . . . . . . . 14.0 m -88.79 -20.37 24.8 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.589 -0.305 . . . . 11.68 111.649 -172.37 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' -7' ' ' HIS . . . . . . . . . . . . . 42.0 m80 -131.7 82.92 2.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.071 0.462 . . . . 11.79 111.214 -179.141 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' -6' ' ' HIS . . . . . . . . . . . . . 28.4 m170 -80.69 112.56 18.17 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.105 -0.498 . . . . 10.98 109.742 174.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' -5' ' ' HIS . . . . . . . . . . . . . 49.1 m80 -94.68 66.75 3.22 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.035 0.445 . . . . 9.31 110.91 -176.222 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' -4' ' ' HIS . . . . . . . . . . . . . 44.9 m-70 -117.91 -53.86 2.36 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.125 -0.489 . . . . 10.54 110.472 175.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' -3' ' ' HIS . . . . . . . . . . . . . 51.9 m80 -131.64 1.14 4.03 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.976 -0.556 . . . . 8.73 110.676 177.353 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 58.3 m170 -90.84 68.61 6.37 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.321 0.581 . . . . 7.06 109.919 176.643 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 132.17 151.35 6.78 Favored Glycine 0 N--CA 1.445 -0.713 0 N-CA-C 111.251 -0.74 . . . . 3.5 111.251 -176.551 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 14.1 m -94.02 144.28 25.61 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 120.865 0.364 . . . . 3.11 110.971 -177.707 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.443 ' O ' HD11 ' A' ' 74' ' ' LEU . 27.4 mtpp -63.29 120.76 12.19 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 108.013 -1.106 . . . . 2.99 108.013 167.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 7.1 m -67.56 131.28 45.34 Favored 'General case' 0 C--N 1.317 -0.833 0 C-N-CA 120.713 -0.395 . . . . 0.99 110.583 -174.49 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.536 ' HB2' ' CE1' ' A' ' 56' ' ' TYR . 0.6 OUTLIER -66.33 120.4 69.89 Favored Pre-proline 0 C--N 1.324 -0.521 0 CA-C-N 115.579 -0.737 . . . . 0.59 110.961 -176.048 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_exo -56.22 121.2 9.58 Favored 'Trans proline' 0 N--CA 1.458 -0.613 0 C-N-CA 122.538 2.159 . . . . 0.61 110.654 172.482 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.522 ' HA ' HD12 ' A' ' 8' ' ' LEU . 26.8 t70 -53.11 -23.01 7.0 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 115.949 -0.569 . . . . 2.19 111.453 -179.118 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.479 ' O ' ' HD3' ' A' ' 120' ' ' ARG . 0.1 OUTLIER -55.88 -24.71 38.83 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.796 -0.638 . . . . 2.53 111.872 177.74 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 28.0 m-85 -95.15 -4.36 46.22 Favored 'General case' 0 CA--C 1.519 -0.237 0 O-C-N 121.933 -0.479 . . . . 0.6 110.969 179.75 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.523 HD21 HD13 ' A' ' 3' ' ' LEU . 87.7 mt -95.83 155.76 16.62 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.987 0.423 . . . . 0.46 111.286 -170.856 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 125.28 177.58 14.96 Favored Glycine 0 N--CA 1.442 -0.912 0 CA-C-N 115.572 -0.74 . . . . 0.52 112.313 179.224 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.523 HG23 ' HG2' ' A' ' 44' ' ' LYS . 1.7 m -101.31 125.87 48.0 Favored 'General case' 0 N--CA 1.447 -0.606 0 N-CA-C 109.14 -0.689 . . . . 1.05 109.14 175.652 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 73.1 m-85 -118.53 126.96 53.12 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 113.017 0.747 . . . . 0.47 113.017 -174.015 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.632 ' CG ' HE21 ' A' ' 143' ' ' GLN . 48.7 mtmt -70.02 -176.74 1.18 Allowed 'General case' 0 C--N 1.352 0.702 0 CA-C-O 121.117 0.484 . . . . 2.19 110.463 167.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.2 tt -127.44 114.6 17.71 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.126 -1.064 . . . . 1.14 108.126 -178.046 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -91.3 -49.04 6.57 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.809 -0.356 . . . . 2.08 111.036 -176.73 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 11.0 ptm180 -166.32 -167.76 1.09 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.981 0.42 . . . . 3.36 111.109 -176.035 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -144.99 -174.65 4.42 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.977 -0.556 . . . . 1.19 110.281 -178.648 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -154.71 108.07 2.86 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.972 -0.558 . . . . 2.66 110.037 177.601 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 4.4 t30 69.09 29.46 4.72 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-O 122.001 0.905 . . . . 0.76 110.577 175.154 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.434 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 36.5 t80 -71.52 -43.16 66.96 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.249 -0.887 . . . . 0.49 111.502 -173.199 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -59.24 -44.72 92.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.668 0.271 . . . . 2.04 111.197 179.784 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -62.6 -36.01 81.36 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.48 -0.327 . . . . 1.79 111.303 179.499 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 58.8 t80 -61.2 -37.79 84.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.969 0.414 . . . . 0.57 110.535 173.763 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.434 ' HG ' ' O ' ' A' ' 19' ' ' PHE . 85.1 mt -65.52 -38.76 90.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.37 110.257 -178.653 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 26.0 mtpp -62.32 -47.61 83.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.868 -0.605 . . . . 1.88 109.98 177.418 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.47 -44.75 85.1 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.36 -0.836 . . . . 0.44 111.208 179.298 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.516 ' NH2' ' HB2' ' A' ' 114' ' ' GLU . 18.0 mmm180 -67.7 -9.91 47.8 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 116.167 -0.469 . . . . 1.29 112.046 -177.671 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 101.88 5.7 50.26 Favored Glycine 0 N--CA 1.444 -0.786 0 C-N-CA 120.574 -0.822 . . . . 0.62 112.776 176.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 72.7 m-85 -80.13 121.51 25.65 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.802 0.334 . . . . 0.64 110.143 179.555 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.44 ' O ' ' HG3' ' A' ' 33' ' ' ARG . . . -79.08 -170.69 39.34 Favored Glycine 0 N--CA 1.445 -0.739 0 C-N-CA 120.95 -0.643 . . . . 1.54 111.927 178.784 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.524 ' O ' ' HG2' ' A' ' 34' ' ' GLN . 45.9 t90 -50.61 -45.48 57.57 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 122.6 0.36 . . . . 1.18 111.817 -177.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.769 ' H ' HD12 ' A' ' 31' ' ' ILE . 3.7 mp -54.08 -59.31 2.14 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.8 0 CA-C-O 121.455 0.645 . . . . 2.16 110.251 -175.417 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.483 ' O ' HG13 ' A' ' 36' ' ' ILE . 74.1 mmm -65.56 -36.07 82.72 Favored 'General case' 0 N--CA 1.428 -1.549 0 CA-C-N 114.818 -1.083 . . . . 0.97 111.077 -175.057 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.44 ' HG3' ' O ' ' A' ' 29' ' ' GLY . 52.7 mtm180 -61.37 -26.0 67.54 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.593 -0.276 . . . . 1.87 111.223 179.124 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.524 ' HG2' ' O ' ' A' ' 30' ' ' TRP . 30.1 mm-40 -73.45 -48.38 34.1 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.787 -0.449 . . . . 1.97 109.787 175.264 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 88.3 t -68.21 -59.65 3.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.763 -0.653 . . . . 0.68 111.536 -174.001 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.511 ' HA ' ' H9 ' ' A' 1001 ' ' OLA . 44.8 mt -48.09 -36.55 6.13 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.434 0 N-CA-C 113.379 0.881 . . . . 0.51 113.379 -178.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 47.0 mtmt -77.57 -20.34 54.21 Favored 'General case' 0 C--N 1.33 -0.277 0 O-C-N 122.062 -0.399 . . . . 0.97 111.903 -178.404 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.487 ' HG ' ' O ' ' A' ' 34' ' ' GLN . 42.4 mt -88.8 -7.67 55.77 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.991 0.425 . . . . 2.08 110.839 -179.689 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -79.39 97.86 6.52 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.013 -0.539 . . . . 1.03 111.131 -177.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -78.94 56.9 4.32 Favored Glycine 0 N--CA 1.452 -0.239 0 CA-C-N 115.907 -0.588 . . . . 0.84 112.218 178.656 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.564 ' HB ' HG22 ' A' ' 62' ' ' THR . 2.5 p -55.41 147.55 3.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 N-CA-C 113.946 1.091 . . . . 1.3 113.946 -177.264 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 86.2 m -112.11 125.67 54.35 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 114.368 -1.287 . . . . 0.45 109.581 176.728 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.609 ' HE3' ' SD ' ' A' ' 127' ' ' MET . 73.3 mmtt -87.09 136.33 32.96 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.989 -0.374 . . . . 0.79 109.989 178.547 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.523 ' HG2' HG23 ' A' ' 10' ' ' THR . 6.8 mtpm? -132.31 116.16 16.55 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.591 -0.277 . . . . 1.96 110.593 -179.795 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.509 ' HB3' HD23 ' A' ' 8' ' ' LEU . 64.6 m-85 -120.3 143.45 48.34 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 109.156 -0.683 . . . . 0.54 109.156 174.359 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.446 ' HG3' ' HB3' ' A' ' 57' ' ' ASP . 10.5 ptm180 -170.58 171.68 6.25 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.787 0.327 . . . . 3.17 111.007 -179.444 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.519 ' HA ' ' CD2' ' A' ' 56' ' ' TYR . 8.3 p30 -70.19 152.06 44.68 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.647 -0.871 . . . . 1.85 108.647 170.111 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.538 ' HA ' ' HB2' ' A' ' 57' ' ' ASP . . . -49.92 131.03 22.55 Favored 'General case' 0 CA--C 1.516 -0.363 0 CA-C-O 121.606 0.717 . . . . 0.87 111.841 -173.313 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.37 -39.2 89.79 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 113.836 -1.529 . . . . 1.48 112.425 -168.739 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 12.2 p -74.15 12.62 0.69 Allowed 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 112.234 0.457 . . . . 2.37 112.234 -179.337 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 71.3 20.34 78.1 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.66 -0.781 . . . . 1.91 111.77 -176.777 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.425 ' HB3' ' CB ' ' A' ' 48' ' ' ALA . 5.4 tppp? -72.62 118.43 67.84 Favored Pre-proline 0 N--CA 1.444 -0.738 0 N-CA-C 109.62 -0.511 . . . . 3.17 109.62 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.452 ' O ' ' HB3' ' A' ' 54' ' ' ASP . 61.3 Cg_endo -72.19 145.87 44.85 Favored 'Trans proline' 0 C--O 1.237 0.474 0 C-N-CA 122.391 2.06 . . . . 1.84 112.445 -177.518 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.452 ' HB3' ' O ' ' A' ' 53' ' ' PRO . 33.1 t70 82.34 -53.54 0.22 Allowed 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 124.286 1.035 . . . . 2.44 109.968 176.868 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.517 ' HD3' ' OD2' ' A' ' 71' ' ' ASP . 82.8 mtt-85 -67.06 149.66 50.28 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.377 -0.828 . . . . 4.1 112.54 175.014 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.536 ' CE1' ' HB2' ' A' ' 3' ' ' LEU . 66.7 m-85 -122.21 179.02 4.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.468 -0.787 . . . . 0.97 111.132 -179.176 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.547 ' OD2' ' HA ' ' A' ' 70' ' ' LYS . 18.7 t70 -135.58 139.55 43.96 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.693 -0.685 . . . . 1.1 109.489 -177.245 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.469 ' N ' ' HE1' ' A' ' 72' ' ' TRP . 1.4 tmt? -142.3 139.61 31.92 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.47 -0.567 . . . . 0.98 109.47 -178.271 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.528 ' HG3' ' O ' ' A' ' 67' ' ' THR . 38.3 tt0 -142.31 147.94 37.19 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.263 0.554 . . . . 1.11 111.854 -175.443 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.475 ' HB2' ' OG1' ' A' ' 67' ' ' THR . 41.4 m-80 -125.71 100.9 6.63 Favored 'General case' 0 CA--C 1.515 -0.402 0 CA-C-N 115.276 -0.875 . . . . 1.17 109.247 178.867 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.49 ' O ' ' HA ' ' A' ' 41' ' ' VAL . 63.8 mt -93.49 118.54 31.46 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 116.207 -0.451 . . . . 1.67 109.943 178.845 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.564 HG22 ' HB ' ' A' ' 41' ' ' VAL . 4.3 p -121.88 -164.84 1.19 Allowed 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.719 -0.474 . . . . 0.45 109.719 -175.875 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 74.0 p -100.03 -17.72 17.36 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-O 121.346 0.594 . . . . 0.54 110.602 -178.417 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.0 mmmp? -107.05 -39.95 5.59 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.878 -0.601 . . . . 2.24 111.842 -175.682 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.512 ' HD3' ' N ' ' A' ' 66' ' ' ASP . 8.4 tmtm? -158.27 135.03 9.7 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.23 -0.656 . . . . 1.82 109.23 -174.268 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.512 ' N ' ' HD3' ' A' ' 65' ' ' LYS . 22.1 m-20 -108.25 128.13 54.46 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 120.971 0.415 . . . . 2.12 110.284 -177.264 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.687 HG23 HD13 ' A' ' 83' ' ' LEU . 66.3 p -110.65 144.57 39.37 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.958 -0.564 . . . . 0.56 109.746 -179.204 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.419 ' HE2' ' CG ' ' A' ' 57' ' ' ASP . 8.0 t-160 -137.85 97.59 3.46 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.164 0.507 . . . . 1.95 109.956 -178.537 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 7.4 m-70 -75.5 84.2 2.58 Favored 'General case' 0 C--N 1.318 -0.787 0 N-CA-C 108.449 -0.945 . . . . 0.39 108.449 176.215 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.547 ' HA ' ' OD2' ' A' ' 57' ' ' ASP . 10.8 ptpt -89.81 127.08 35.91 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.872 -0.604 . . . . 2.3 111.95 -174.614 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.517 ' OD2' ' HD3' ' A' ' 55' ' ' ARG . 13.3 t70 63.84 72.96 0.45 Allowed 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 115.139 -0.937 . . . . 2.07 110.843 173.611 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' TRP . . . . . 0.469 ' HE1' ' N ' ' A' ' 58' ' ' MET . 69.8 p-90 -126.88 161.42 28.3 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.275 -0.421 . . . . 0.43 111.435 179.201 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.531 ' O ' ' HB3' ' A' ' 76' ' ' GLU . . . -126.36 148.51 49.57 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.834 -0.621 . . . . 0.55 109.738 172.721 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.627 HD13 ' H ' ' A' ' 74' ' ' LEU . 0.0 OUTLIER -65.88 144.99 56.46 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 119.398 -0.921 . . . . 1.71 109.518 170.861 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 85.55 -2.63 87.91 Favored Glycine 0 N--CA 1.441 -0.995 0 CA-C-N 115.127 -0.942 . . . . 0.59 111.784 -169.759 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.531 ' HB3' ' O ' ' A' ' 73' ' ' ALA . 43.5 tt0 -105.97 153.16 22.39 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-O 121.206 0.527 . . . . 2.37 111.466 -176.379 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -128.03 119.15 24.84 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.27 -0.877 . . . . 1.4 108.799 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 40.0 p90 -134.19 157.42 46.29 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.728 -0.215 . . . . 0.57 110.655 -173.593 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.421 ' HA ' ' HA ' ' A' ' 89' ' ' LYS . 1.5 mp0 -85.26 152.69 23.13 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.864 -0.335 . . . . 1.95 110.172 176.546 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -153.48 155.16 35.74 Favored 'General case' 0 C--O 1.245 0.836 0 CA-C-N 116.066 -0.516 . . . . 1.26 110.549 -174.584 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.581 ' O ' HG22 ' A' ' 67' ' ' THR . 13.5 pt-20 -91.11 85.13 5.81 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-O 121.921 0.867 . . . . 2.13 108.828 177.801 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -73.54 171.99 12.17 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 114.935 -1.03 . . . . 0.95 113.13 -168.251 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.711 HD22 ' H ' ' A' ' 83' ' ' LEU . 2.0 mm? -54.92 -30.88 59.53 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.012 -0.54 . . . . 1.34 110.581 -177.824 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -85.64 13.4 7.1 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.795 -0.639 . . . . 1.55 111.128 -174.688 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 22.8 t 63.41 47.15 4.03 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 115.411 -0.813 . . . . 1.21 111.212 172.185 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.451 ' O ' ' HA ' ' A' ' 81' ' ' GLU . 20.9 p -132.37 168.58 17.87 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.825 -0.625 . . . . 0.93 110.024 175.657 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.494 HE22 ' HB3' ' A' ' 81' ' ' GLU . 30.0 mm-40 -105.75 56.68 0.67 Allowed 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.177 -0.675 . . . . 1.88 109.177 178.561 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . 0.528 ' CB ' ' HA ' ' A' ' 106' ' ' LYS . 15.9 p80 -93.8 162.78 13.78 Favored 'General case' 0 C--N 1.32 -0.713 0 C-N-CA 119.622 -0.831 . . . . 1.04 111.801 -169.605 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.421 ' HA ' ' HA ' ' A' ' 79' ' ' GLN . 54.6 pttt -84.05 150.72 25.4 Favored 'General case' 0 N--CA 1.44 -0.952 0 CA-C-N 115.567 -0.742 . . . . 1.49 110.409 -172.183 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 59.2 mt -142.77 134.17 24.39 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.074 0 CA-C-N 114.951 -1.022 . . . . 0.54 110.014 -176.309 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 13.1 m -113.81 131.99 56.03 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 116.179 -0.464 . . . . 0.43 110.524 178.585 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -107.77 135.65 48.83 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 108.286 -1.005 . . . . 0.6 108.286 173.075 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -158.34 147.36 19.15 Favored 'General case' 0 C--N 1.314 -0.953 0 N-CA-C 109.599 -0.519 . . . . 1.69 109.599 -176.761 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.431 ' CD1' ' HG ' ' A' ' 100' ' ' LEU . 1.5 mp -95.24 121.68 37.15 Favored 'General case' 0 C--N 1.317 -0.815 0 C-N-CA 120.306 -0.557 . . . . 1.12 110.83 178.352 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.572 ' HG3' ' OD1' ' A' ' 96' ' ' ASP . 19.1 tptp -85.29 -47.84 9.66 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-N 115.172 -0.922 . . . . 3.03 108.865 -177.16 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.572 ' OD1' ' HG3' ' A' ' 95' ' ' LYS . 6.1 m-20 -140.74 166.12 25.05 Favored Pre-proline 0 C--N 1.321 -0.66 0 N-CA-C 107.839 -1.171 . . . . 1.79 107.839 175.026 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 15.1 Cg_exo -70.73 6.8 1.48 Allowed 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.822 2.348 . . . . 0.98 112.121 -178.542 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 -137.78 15.61 2.89 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.545 -0.752 . . . . 2.32 109.289 176.601 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 33.0 m -151.6 109.4 3.67 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-O 121.447 0.641 . . . . 0.56 111.964 179.096 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.431 ' HG ' ' CD1' ' A' ' 94' ' ' LEU . 0.6 OUTLIER -84.4 153.58 23.33 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.117 -1.068 . . . . 1.1 108.117 172.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 9.1 p -128.29 131.68 48.69 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 119.096 0.862 . . . . 0.41 111.099 173.731 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 68.6 tt0 -116.33 110.54 18.85 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.911 -0.586 . . . . 1.31 109.589 178.193 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 56.1 m -102.13 118.14 36.26 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.817 0.341 . . . . 0.51 111.017 -177.274 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . 0.459 ' HB2' ' HB3' ' A' ' 114' ' ' GLU . 17.2 m170 -98.88 122.89 42.71 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.951 -0.389 . . . . 1.69 109.951 176.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.429 HG23 ' HA ' ' A' ' 110' ' ' PRO . 56.5 mt -124.73 117.35 50.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-O 121.44 0.638 . . . . 0.75 111.051 172.836 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.547 ' HD2' ' HB2' ' A' ' 112' ' ' ASP . 54.0 mttm -60.19 118.41 6.33 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 114.756 -1.111 . . . . 1.61 111.048 176.633 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.523 HG22 ' HA ' ' A' ' 88' ' ' HIS . 11.9 m -65.7 -19.75 26.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.942 -0.572 . . . . 1.32 110.878 177.52 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -79.19 -42.94 24.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.707 -0.679 . . . . 2.5 110.356 176.347 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -144.12 94.58 5.78 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.082 -0.508 . . . . 2.39 109.968 179.462 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.429 ' HA ' HG23 ' A' ' 105' ' ' ILE . 56.3 Cg_endo -71.13 0.76 6.17 Favored 'Trans proline' 0 N--CA 1.462 -0.365 0 C-N-CA 123.033 2.488 . . . . 0.9 112.869 -177.661 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 29.0 p -72.44 -25.87 61.62 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.558 0.694 . . . . 1.47 109.852 173.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . 0.547 ' HB2' ' HD2' ' A' ' 106' ' ' LYS . 4.9 m-20 -94.48 56.28 2.09 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.056 -0.974 . . . . 1.59 111.102 -177.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.427 HG23 HG12 ' A' ' 105' ' ' ILE . 15.0 p -65.41 159.6 4.0 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.961 0 CA-C-N 115.97 -0.559 . . . . 1.6 109.786 174.403 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.516 ' HB2' ' NH2' ' A' ' 26' ' ' ARG . 41.1 tt0 -155.24 137.55 14.87 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.511 -0.551 . . . . 2.78 109.511 -176.51 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 39.1 m -130.53 121.67 26.17 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.308 0.575 . . . . 0.53 112.121 -176.765 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' TYR . . . . . 0.437 ' CE2' ' HE1' ' A' ' 104' ' ' HIS . 4.5 m-30 -102.01 155.0 18.45 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 106.715 -1.587 . . . . 0.96 106.715 168.333 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . 0.511 ' O ' ' HA ' ' A' ' 127' ' ' MET . 12.6 pt-20 -139.74 122.88 16.86 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 119.319 0.963 . . . . 1.27 109.046 175.287 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . 0.437 ' HD1' HD11 ' A' ' 125' ' ' LEU . 97.5 m-85 -98.03 111.54 23.82 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.282 0.563 . . . . 0.6 111.348 -173.103 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 18.0 ttm180 -114.17 144.7 42.75 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 115.032 -0.986 . . . . 3.41 109.767 178.715 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . 0.479 ' HD3' ' O ' ' A' ' 6' ' ' LYS . 8.6 tpt180 -102.06 101.39 11.74 Favored 'General case' 0 C--N 1.32 -0.697 0 C-N-CA 120.433 -0.507 . . . . 1.96 110.114 179.677 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -97.78 82.2 3.0 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.389 0.614 . . . . 1.08 109.625 179.23 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 71.2 -112.77 4.35 Favored Glycine 0 N--CA 1.444 -0.771 0 CA-C-N 115.121 -0.945 . . . . 0.92 112.399 179.749 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -91.47 -10.16 41.89 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.114 0.483 . . . . 2.31 110.689 -176.517 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 61.5 m-85 -107.93 135.45 49.29 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.116 0.484 . . . . 0.67 111.537 -175.311 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.437 HD11 ' HD1' ' A' ' 118' ' ' TYR . 3.1 tm? -82.64 113.5 20.38 Favored 'General case' 0 N--CA 1.443 -0.778 0 N-CA-C 107.033 -1.469 . . . . 1.03 107.033 170.45 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 88.9 t -117.66 129.08 74.65 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.009 0 N-CA-C 109.267 -0.642 . . . . 0.47 109.267 -170.648 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' MET . . . . . 0.609 ' SD ' ' HE3' ' A' ' 43' ' ' LYS . 26.2 ptm -128.89 150.32 50.4 Favored 'General case' 0 C--N 1.305 -1.335 0 C-N-CA 120.306 -0.558 . . . . 1.08 110.577 -175.541 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . 0.458 ' HA ' ' O ' ' A' ' 136' ' ' THR . 40.1 ttmt -122.78 133.95 54.44 Favored 'General case' 0 C--N 1.31 -1.135 0 CA-C-N 115.444 -0.798 . . . . 2.2 109.229 -179.107 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 25.8 mtp -126.16 121.45 32.86 Favored 'General case' 0 C--N 1.313 -0.984 0 N-CA-C 107.648 -1.241 . . . . 1.11 107.648 178.43 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 2.6 m -128.9 137.53 51.48 Favored 'General case' 0 C--N 1.321 -0.634 0 C-N-CA 120.051 -0.66 . . . . 1.06 111.813 -173.45 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' TRP . . . . . . . . . . . . . 44.0 t-105 -149.52 133.37 16.97 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.197 -0.911 . . . . 0.76 109.8 175.469 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 67.9 mttm 55.87 33.11 20.96 Favored 'General case' 0 C--N 1.327 -0.382 0 O-C-N 123.532 0.52 . . . . 1.96 111.143 -176.314 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 82.63 -28.21 3.57 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.967 -0.635 . . . . 0.53 112.446 -176.636 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 20.4 t -69.44 106.75 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 121.07 0.462 . . . . 0.43 109.838 -179.487 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 1.6 m -105.91 153.04 22.53 Favored 'General case' 0 N--CA 1.436 -1.148 0 CA-C-N 115.785 -0.643 . . . . 1.14 110.98 -176.206 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . 0.458 ' O ' ' HA ' ' A' ' 128' ' ' LYS . 9.2 t -135.48 138.18 42.88 Favored 'General case' 0 C--N 1.313 -0.981 0 CA-C-N 115.456 -0.793 . . . . 0.4 110.058 174.652 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . 0.505 ' HA ' ' O ' ' A' ' 127' ' ' MET . 14.8 m -109.95 106.89 16.6 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 121.36 0.6 . . . . 0.79 109.874 174.524 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . 0.425 ' HG2' ' CE2' ' A' ' 140' ' ' TYR . 6.7 tpt180 -83.3 124.91 31.07 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.356 -0.838 . . . . 1.84 108.861 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 88.4 m-85 -98.28 110.47 23.05 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-O 120.859 0.361 . . . . 0.64 111.656 -174.146 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 140' ' ' TYR . . . . . 0.575 ' HE2' ' SD ' ' A' ' 127' ' ' MET . 97.6 m-85 -111.34 143.94 41.32 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.017 -0.538 . . . . 0.6 110.499 174.802 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . 0.492 ' HG3' ' O ' ' A' ' 142' ' ' LYS . 17.0 ptpt -118.21 167.78 11.19 Favored 'General case' 0 C--O 1.208 -1.101 0 N-CA-C 107.261 -1.385 . . . . 1.92 107.261 172.779 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . 0.492 ' O ' ' HG3' ' A' ' 141' ' ' LYS . 88.2 tttt -56.82 161.64 2.78 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 119.409 1.004 . . . . 2.13 110.443 172.863 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . 0.632 HE21 ' CG ' ' A' ' 12' ' ' LYS . 2.2 mt-30 . . . . . 0 C--O 1.249 1.057 0 O-C-N 121.201 -0.937 . . . . 1.46 109.931 165.34 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1001 ' ' OLA . . . . . 0.566 H141 ' C10' ' A' 1001 ' ' OLA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' -11' ' ' MET . . . . . . . . . . . . . 49.6 tpp . . . . . 0 N--CA 1.476 0.862 0 CA-C-O 120.881 0.372 . . . . 14.47 110.46 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' -10' ' ' ARG . . . . . . . . . . . . . 16.0 ptp180 -135.06 159.06 42.72 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.097 -0.501 . . . . 15.82 110.083 178.525 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' -9' ' ' GLY . . . . . . . . . . . . . . . 75.37 17.51 80.16 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.924 -0.655 . . . . 11.88 111.756 -176.76 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' -8' ' ' SER . . . . . . . . . . . . . 4.4 p -78.79 77.67 5.26 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.308 0.575 . . . . 11.68 111.137 -177.13 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' -7' ' ' HIS . . . . . . . . . . . . . 53.3 m80 -89.25 32.18 0.86 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.003 -0.544 . . . . 11.79 110.432 178.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' -6' ' ' HIS . . . . . . . . . . . . . 84.9 m-70 -88.79 85.44 6.76 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.014 -0.539 . . . . 10.98 109.947 -179.423 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' -5' ' ' HIS . . . . . . . . . . . . . 89.6 m-70 -81.01 -8.98 59.89 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.196 -0.456 . . . . 9.31 110.644 -179.734 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' -4' ' ' HIS . . . . . . . . . . . . . 45.4 t60 -75.03 -14.83 60.65 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.866 -0.607 . . . . 10.54 109.471 174.43 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' -3' ' ' HIS . . . . . . . . . . . . . 18.0 t60 70.11 117.41 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 114.861 -1.063 . . . . 8.73 110.627 -178.06 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 2.0 t-160 -76.79 96.58 4.29 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.209 -0.451 . . . . 7.06 109.835 179.242 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -61.47 -39.11 96.86 Favored Glycine 0 N--CA 1.451 -0.336 0 N-CA-C 110.742 -0.943 . . . . 3.5 110.742 175.004 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 70.4 m -82.05 157.32 24.19 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.317 -0.442 . . . . 3.11 109.843 170.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 33.5 mtmm -97.41 159.31 14.99 Favored 'General case' 0 C--N 1.312 -1.037 0 N-CA-C 109.378 -0.601 . . . . 2.99 109.378 172.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -88.57 131.98 34.72 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 116.363 -0.38 . . . . 0.99 111.296 178.769 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.449 HD23 ' HA ' ' A' ' 3' ' ' LEU . 1.6 mt -60.87 125.28 82.91 Favored Pre-proline 0 C--N 1.326 -0.435 0 CA-C-N 115.881 -0.599 . . . . 0.59 111.577 178.472 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_exo -57.33 132.62 52.02 Favored 'Trans proline' 0 N--CA 1.462 -0.329 0 C-N-CA 122.523 2.149 . . . . 0.61 110.815 171.545 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.451 ' HA ' HD12 ' A' ' 8' ' ' LEU . 4.6 p-10 -61.64 -18.01 57.71 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.404 -0.362 . . . . 2.19 111.775 -174.64 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 31.6 mmtp -62.93 -26.13 68.66 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 111.594 0.22 . . . . 2.53 111.594 175.761 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 48.1 m-85 -92.44 -5.8 51.21 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.733 -0.387 . . . . 0.6 109.987 178.505 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.539 HD23 ' HB3' ' A' ' 45' ' ' PHE . 97.8 mt -98.72 155.95 17.08 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-O 121.269 0.557 . . . . 0.46 111.148 -174.827 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 119.05 172.37 15.26 Favored Glycine 0 N--CA 1.441 -0.97 0 CA-C-N 115.255 -0.884 . . . . 0.52 111.681 -179.194 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 6.9 m -98.56 124.01 43.06 Favored 'General case' 0 C--N 1.317 -0.848 0 N-CA-C 109.636 -0.505 . . . . 1.05 109.636 176.568 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 75.7 m-85 -114.06 132.9 55.86 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.252 -0.431 . . . . 0.47 111.552 -175.159 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.615 ' HG2' ' O ' ' A' ' 142' ' ' LYS . 19.9 ptpt -91.78 -161.81 0.86 Allowed 'General case' 0 CA--C 1.535 0.379 0 N-CA-C 109.69 -0.485 . . . . 2.19 109.69 169.14 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.1 tt -131.63 124.97 31.02 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 108.726 -0.842 . . . . 1.14 108.726 -172.492 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.437 ' HB2' ' HE3' ' A' ' 141' ' ' LYS . 42.9 tt0 -99.02 -51.59 3.81 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 121.07 -0.252 . . . . 2.08 111.14 -179.715 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 13.0 ptm180 -148.12 -176.59 5.34 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.928 0.394 . . . . 3.36 111.051 -177.647 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.438 ' OD2' ' HB2' ' A' ' 19' ' ' PHE . 18.1 t70 -145.14 166.11 26.35 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.866 -0.606 . . . . 1.19 109.502 -172.366 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -159.34 116.0 2.63 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 117.811 0.278 . . . . 2.66 111.544 -179.426 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.9 t30 68.69 24.4 6.77 Favored 'General case' 0 N--CA 1.476 0.834 0 CA-C-O 121.434 0.635 . . . . 0.76 112.053 170.559 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.459 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 11.9 t80 -75.76 -37.87 58.9 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.717 -0.674 . . . . 0.49 111.1 -174.342 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -58.04 -49.03 78.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.612 0.244 . . . . 2.04 110.577 179.287 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -61.67 -37.54 84.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.391 -0.368 . . . . 1.79 111.056 179.174 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 87.3 t80 -59.26 -39.15 81.97 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 120.723 -0.391 . . . . 0.57 110.416 174.108 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.459 ' HG ' ' O ' ' A' ' 19' ' ' PHE . 90.1 mt -69.39 -37.81 77.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.37 -0.377 . . . . 0.37 110.437 -178.59 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 8.2 mtpm? -63.36 -48.69 76.88 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.987 -0.551 . . . . 1.88 109.736 177.709 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.447 ' HB1' ' HB2' ' A' ' 132' ' ' LYS . . . -59.55 -39.48 84.13 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.189 -0.914 . . . . 0.44 111.116 176.87 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.545 ' HA ' ' CD1' ' A' ' 131' ' ' TRP . 15.4 mmm180 -67.01 -14.84 63.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.857 -0.611 . . . . 1.29 111.959 -179.485 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 95.65 20.3 27.13 Favored Glycine 0 N--CA 1.445 -0.711 0 C-N-CA 120.448 -0.882 . . . . 0.62 112.533 179.542 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 66.5 m-85 -90.15 125.81 35.58 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.881 0.372 . . . . 0.64 110.022 177.183 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -76.53 -172.81 35.83 Favored Glycine 0 N--CA 1.445 -0.751 0 C-N-CA 120.954 -0.641 . . . . 1.54 111.775 178.658 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.46 ' O ' ' HG2' ' A' ' 34' ' ' GLN . 64.8 t90 -53.97 -45.5 71.38 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 111.962 0.356 . . . . 1.18 111.962 -176.314 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.765 ' H ' HD12 ' A' ' 31' ' ' ILE . 3.7 mp -58.53 -56.05 18.86 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.74 0 CA-C-O 121.609 0.718 . . . . 2.16 109.941 -174.856 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -66.71 -31.29 71.85 Favored 'General case' 0 N--CA 1.43 -1.437 0 CA-C-N 114.85 -1.068 . . . . 0.97 111.032 -176.171 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.414 ' HA ' HD13 ' A' ' 23' ' ' LEU . 35.9 ttp180 -69.74 -22.2 63.39 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.058 -0.519 . . . . 1.87 110.187 178.42 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.626 ' O ' HD23 ' A' ' 38' ' ' LEU . 26.1 mm-40 -83.69 -27.77 28.79 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.768 -0.651 . . . . 1.97 110.826 175.745 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.474 HG13 ' HG3' ' A' ' 64' ' ' LYS . 57.4 t -85.39 -67.93 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-O 121.16 0.505 . . . . 0.68 110.866 -178.549 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.489 ' H ' HG13 ' A' ' 36' ' ' ILE . 28.7 mt -50.48 -38.84 16.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 114.885 -1.052 . . . . 0.51 113.089 -175.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 25.8 ttpp -77.45 -20.9 53.78 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-O 120.851 0.357 . . . . 0.97 111.645 -174.592 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.626 HD23 ' O ' ' A' ' 34' ' ' GLN . 3.9 mm? -104.73 -1.57 26.05 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.139 0.495 . . . . 2.08 110.409 -177.275 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -76.55 120.14 21.34 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.541 -0.754 . . . . 1.03 110.721 179.613 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.615 ' O ' ' HA ' ' A' ' 62' ' ' THR . . . -70.1 136.06 26.61 Favored Glycine 0 N--CA 1.443 -0.891 0 N-CA-C 110.462 -1.055 . . . . 0.84 110.462 174.09 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.522 HG21 ' H41' ' A' 1001 ' ' OLA . 78.4 t -122.99 126.0 73.07 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 CA-C-O 121.207 0.527 . . . . 1.3 110.858 -174.072 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 77.7 m -107.16 108.36 19.77 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.454 -0.794 . . . . 0.45 109.872 176.063 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.406 ' HZ3' ' C1 ' ' A' 1001 ' ' OLA . 13.8 tptt -87.82 118.48 27.37 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.117 -0.697 . . . . 0.79 109.117 -179.169 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.523 ' O ' ' HA ' ' A' ' 58' ' ' MET . 3.3 ttpm? -121.83 121.8 38.02 Favored 'General case' 0 C--N 1.322 -0.591 0 C-N-CA 120.126 -0.63 . . . . 1.96 111.368 -177.799 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.539 ' HB3' HD23 ' A' ' 8' ' ' LEU . 60.6 m-85 -121.97 147.24 46.3 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.609 -0.723 . . . . 0.54 109.216 174.214 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 15.9 ptp180 179.65 -178.01 0.37 Allowed 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 110.317 -0.253 . . . . 3.17 110.317 175.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 32.9 m-80 -63.41 154.92 30.54 Favored 'General case' 0 C--N 1.319 -0.728 0 O-C-N 123.679 0.612 . . . . 1.85 109.569 173.441 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.403 ' HA ' ' HB2' ' A' ' 57' ' ' ASP . . . -51.49 142.22 14.3 Favored 'General case' 0 CA--C 1.52 -0.174 0 CA-C-O 120.797 0.332 . . . . 0.87 111.167 -177.485 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -47.81 -58.98 3.67 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 113.726 1.01 . . . . 1.48 113.726 -170.439 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 11.1 t -65.38 -38.27 89.51 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 108.977 -0.749 . . . . 2.37 108.977 -178.041 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 123.88 23.98 1.95 Allowed Glycine 0 N--CA 1.448 -0.54 0 CA-C-N 114.963 -1.017 . . . . 1.91 112.684 173.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 63.8 mttm -71.93 129.21 88.35 Favored Pre-proline 0 C--N 1.326 -0.426 0 N-CA-C 109.847 -0.427 . . . . 3.17 109.847 178.511 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.582 ' O ' ' HB3' ' A' ' 54' ' ' ASP . 41.8 Cg_endo -66.65 150.5 83.7 Favored 'Trans proline' 0 C--O 1.234 0.297 0 C-N-CA 122.725 2.283 . . . . 1.84 112.669 -176.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.582 ' HB3' ' O ' ' A' ' 53' ' ' PRO . 9.1 t0 88.19 -60.16 0.03 OUTLIER 'General case' 0 CA--C 1.514 -0.427 0 O-C-N 124.645 1.216 . . . . 2.44 109.295 177.764 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 71.3 mtt180 -68.04 143.03 55.7 Favored 'General case' 0 C--N 1.313 -1.001 0 CA-C-O 122.011 0.91 . . . . 4.1 112.297 176.575 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 76.3 m-85 -118.97 178.91 4.32 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 114.474 -1.239 . . . . 0.97 110.073 -179.309 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.403 ' HB2' ' HA ' ' A' ' 48' ' ' ALA . 24.4 t70 -127.87 133.56 49.34 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.66 -0.7 . . . . 1.1 109.735 -177.025 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.523 ' HA ' ' O ' ' A' ' 44' ' ' LYS . 1.1 tmt? -135.86 138.14 42.18 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.156 -0.683 . . . . 0.98 109.156 178.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 59.3 tt0 -147.16 148.5 31.61 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 120.868 0.366 . . . . 1.11 111.499 -174.129 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.569 ' HB2' ' OG1' ' A' ' 67' ' ' THR . 34.7 m-80 -127.41 105.0 8.22 Favored 'General case' 0 CA--C 1.515 -0.374 0 CA-C-N 115.705 -0.68 . . . . 1.17 109.629 178.284 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 82.9 mt -100.16 123.81 44.83 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 109.881 -0.414 . . . . 1.67 109.881 176.329 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.615 ' HA ' ' O ' ' A' ' 40' ' ' GLY . 43.7 p -125.05 -153.78 0.58 Allowed 'General case' 0 N--CA 1.444 -0.76 0 CA-C-O 120.869 0.366 . . . . 0.45 110.392 -175.189 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 68.0 p -101.73 -35.26 9.14 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-N 116.156 -0.475 . . . . 0.54 110.985 -179.761 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.474 ' HG3' HG13 ' A' ' 35' ' ' VAL . 74.5 mmtt -120.06 4.94 10.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.006 -0.543 . . . . 2.24 111.562 -174.731 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.665 ' HG3' ' H ' ' A' ' 66' ' ' ASP . 29.7 tptt -146.92 -156.99 0.76 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.972 0.415 . . . . 1.82 110.662 -178.844 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.665 ' H ' ' HG3' ' A' ' 65' ' ' LYS . 3.0 t70 167.75 129.67 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.06 -0.973 . . . . 2.12 108.738 -169.257 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.569 ' OG1' ' HB2' ' A' ' 60' ' ' ASN . 23.7 p -146.88 140.63 25.84 Favored 'General case' 0 C--N 1.311 -1.081 0 N-CA-C 108.94 -0.763 . . . . 0.56 108.94 177.258 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 8.4 t-160 -140.75 96.99 3.1 Favored 'General case' 0 C--N 1.313 -1.019 0 CA-C-O 121.164 0.507 . . . . 1.95 109.945 -177.305 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 18.7 m-70 -70.69 88.33 0.7 Allowed 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.363 -0.835 . . . . 0.39 108.806 176.457 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 43.6 mttm -78.49 115.6 18.31 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.443 -0.799 . . . . 2.3 112.619 -176.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 61.37 76.97 0.35 Allowed 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 115.4 -0.818 . . . . 2.07 112.215 169.133 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 66.5 p-90 -122.11 145.0 48.59 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.609 -0.723 . . . . 0.43 109.897 176.546 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -101.87 146.53 27.7 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 110.102 -0.333 . . . . 0.55 110.102 176.755 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.6 tt -56.71 119.12 5.63 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.092 0.472 . . . . 1.71 110.036 174.683 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 88.86 23.98 33.95 Favored Glycine 0 N--CA 1.447 -0.579 0 CA-C-N 115.652 -0.704 . . . . 0.59 112.417 -175.117 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -119.94 131.72 55.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.383 0.611 . . . . 2.37 111.316 -178.291 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -97.71 121.92 40.18 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 114.965 -1.016 . . . . 1.4 110.182 177.126 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 38.9 p90 -133.48 157.49 45.49 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 110.026 -0.361 . . . . 0.57 110.026 -178.146 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.408 HE21 ' HB2' ' A' ' 79' ' ' GLN . 7.6 tt0 -90.67 151.14 21.39 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.425 -0.584 . . . . 1.95 109.425 175.58 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.512 ' HB3' HD12 ' A' ' 90' ' ' ILE . 14.9 t70 -156.79 160.83 39.6 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.581 -0.281 . . . . 1.26 110.323 -168.31 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -101.18 87.26 3.2 Favored 'General case' 0 CA--C 1.515 -0.374 0 CA-C-O 122.13 0.967 . . . . 2.13 108.745 175.41 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.426 ' HB3' ' NE2' ' A' ' 88' ' ' HIS . . . -75.99 172.28 13.02 Favored 'General case' 0 C--N 1.309 -1.163 0 CA-C-N 114.356 -1.293 . . . . 0.95 113.093 -166.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 12.4 mt -53.11 -34.53 57.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.817 -0.629 . . . . 1.34 111.105 -176.737 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.438 ' HA ' H141 ' A' 1001 ' ' OLA . 10.3 p-10 -78.62 20.71 0.42 Allowed 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.226 -0.897 . . . . 1.55 112.276 -174.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 20.4 m 65.39 28.47 11.71 Favored 'General case' 0 C--O 1.235 0.329 0 N-CA-C 112.999 0.74 . . . . 1.21 112.999 164.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 13.5 p -138.52 163.39 32.1 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 116.542 -0.299 . . . . 0.93 110.343 177.634 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 12.6 mm-40 -98.43 118.75 35.81 Favored 'General case' 0 CA--C 1.507 -0.69 0 N-CA-C 107.27 -1.382 . . . . 1.88 107.27 176.592 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . 0.739 ' HB2' ' O ' ' A' ' 105' ' ' ILE . 23.9 p80 -153.88 170.63 20.54 Favored 'General case' 0 C--N 1.311 -1.079 0 C-N-CA 119.71 -0.796 . . . . 1.04 111.903 -178.567 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.463 ' H ' HG13 ' A' ' 107' ' ' VAL . 20.4 ptmt -75.5 142.77 42.82 Favored 'General case' 0 N--CA 1.446 -0.655 0 CA-C-N 115.326 -0.852 . . . . 1.49 110.861 -173.019 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.512 HD12 ' HB3' ' A' ' 80' ' ' ASP . 40.1 mt -139.81 128.91 28.01 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.775 0 CA-C-N 115.503 -0.771 . . . . 0.54 110.67 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 38.3 m -110.53 131.36 55.12 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 116.359 -0.382 . . . . 0.43 110.304 174.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -113.38 127.9 56.28 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 108.997 -0.742 . . . . 0.6 108.997 174.737 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -165.1 173.1 11.81 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 110.065 -0.346 . . . . 1.69 110.065 -177.659 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.418 HD22 ' HG ' ' A' ' 100' ' ' LEU . 2.6 mm? -108.31 120.24 41.81 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.925 -0.579 . . . . 1.12 109.685 179.403 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 56.7 tptt -86.69 -46.6 9.89 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 108.388 -0.967 . . . . 3.03 108.388 -179.588 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -133.0 163.25 52.43 Favored Pre-proline 0 C--N 1.319 -0.725 0 N-CA-C 107.745 -1.206 . . . . 1.79 107.745 172.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 16.5 Cg_exo -69.74 6.61 1.24 Allowed 'Trans proline' 0 CA--C 1.528 0.178 0 C-N-CA 122.763 2.309 . . . . 0.98 111.958 -178.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 62.7 t30 -134.15 17.11 3.77 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.5 -0.773 . . . . 2.32 109.481 177.475 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.47 ' HA ' ' O ' ' A' ' 118' ' ' TYR . 51.7 m -152.7 106.51 3.08 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-O 121.153 0.502 . . . . 0.56 112.094 -177.03 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.585 HD23 ' N ' ' A' ' 101' ' ' THR . 4.6 tt -88.68 135.77 33.34 Favored 'General case' 0 C--O 1.223 -0.328 0 N-CA-C 107.762 -1.199 . . . . 1.1 107.762 172.433 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.585 ' N ' HD23 ' A' ' 100' ' ' LEU . 1.4 p -116.51 133.0 56.53 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 118.563 0.619 . . . . 0.41 112.125 -177.707 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -109.67 102.31 11.15 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-N 115.559 -0.746 . . . . 1.31 109.346 171.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 26.7 m -92.39 102.81 15.29 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 109.435 -0.58 . . . . 0.51 109.435 178.363 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . 0.457 ' HB3' HG12 ' A' ' 90' ' ' ILE . 5.9 p80 -114.1 114.98 26.82 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.506 0.67 . . . . 1.69 111.401 -176.381 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.739 ' O ' ' HB2' ' A' ' 88' ' ' HIS . 50.0 mt -116.38 129.72 72.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 114.628 -1.169 . . . . 0.75 111.003 -176.144 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.545 ' HB2' ' O ' ' A' ' 109' ' ' ASP . 21.4 mmtm -58.63 109.25 0.76 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.026 -0.533 . . . . 1.61 110.868 173.241 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.463 HG13 ' H ' ' A' ' 89' ' ' LYS . 20.9 m -59.8 -22.19 23.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.249 -0.432 . . . . 1.32 112.048 177.151 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -95.52 -45.99 6.85 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.47 -0.332 . . . . 2.5 111.0 -177.289 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.545 ' O ' ' HB2' ' A' ' 106' ' ' LYS . 23.6 m-20 -132.3 88.82 38.82 Favored Pre-proline 0 CA--C 1.514 -0.412 0 CA-C-O 120.943 0.401 . . . . 2.39 109.993 175.118 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -69.7 19.74 0.18 Allowed 'Trans proline' 0 C--N 1.335 -0.176 0 C-N-CA 123.538 2.825 . . . . 0.9 113.139 -175.416 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . 0.432 ' H ' ' C ' ' A' ' 109' ' ' ASP . 76.0 p -85.96 -30.53 22.71 Favored 'General case' 0 N--CA 1.443 -0.8 0 CA-C-N 116.086 -0.507 . . . . 1.47 110.355 174.053 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . 0.478 ' HB3' ' HG3' ' A' ' 106' ' ' LYS . 23.0 t70 -97.83 52.6 1.08 Allowed 'General case' 0 CA--C 1.532 0.251 0 CA-C-O 121.563 0.697 . . . . 1.59 110.878 -176.748 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.448 ' CG1' HG12 ' A' ' 105' ' ' ILE . 14.5 m -84.65 169.82 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.815 0 CA-C-N 115.999 -0.546 . . . . 1.6 111.544 178.468 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -165.68 161.14 18.0 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.363 -0.606 . . . . 2.78 109.363 172.283 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 26.1 m -131.82 116.45 17.25 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-O 120.999 0.428 . . . . 0.53 110.467 177.439 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' TYR . . . . . 0.414 ' HB3' ' HE3' ' A' ' 127' ' ' MET . 19.5 m-30 -89.15 142.87 27.27 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 107.839 -1.171 . . . . 0.96 107.839 176.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -132.1 116.59 17.22 Favored 'General case' 0 N--CA 1.448 -0.54 0 N-CA-C 108.262 -1.014 . . . . 1.27 108.262 -173.663 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . 0.514 ' HB2' ' HB3' ' A' ' 100' ' ' LEU . 68.2 m-85 -93.22 114.35 26.81 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 116.423 -0.353 . . . . 0.6 110.515 -175.805 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 42.5 ttp180 -117.88 151.81 36.65 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.232 -0.44 . . . . 3.41 110.111 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . 0.531 ' NH2' ' HA ' ' A' ' 123' ' ' ASP . 15.0 mmm180 -108.0 130.16 55.08 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.964 0.411 . . . . 1.96 110.991 178.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -130.56 109.52 10.73 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.281 -0.637 . . . . 1.08 109.281 176.17 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 71.21 -101.24 0.94 Allowed Glycine 0 N--CA 1.448 -0.546 0 N-CA-C 111.303 -0.719 . . . . 0.92 111.303 -175.224 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . 0.531 ' HA ' ' NH2' ' A' ' 120' ' ' ARG . 28.3 t70 -134.7 24.27 3.68 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 122.006 0.908 . . . . 2.31 109.6 174.83 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 87.9 m-85 -111.75 140.73 46.14 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.425 -0.807 . . . . 0.67 110.617 -179.672 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -83.14 111.43 18.9 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 107.855 -1.165 . . . . 1.03 107.855 171.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 59.3 t -103.08 115.93 45.93 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.986 0 N-CA-C 109.639 -0.504 . . . . 0.47 109.639 -173.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' MET . . . . . 0.649 ' O ' ' HA ' ' A' ' 137' ' ' SER . 8.3 tpt -82.78 123.13 29.04 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-N 115.393 -0.821 . . . . 1.08 110.375 -176.647 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 24.0 tptp -113.49 110.81 20.88 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 109.508 -0.553 . . . . 2.2 109.508 -177.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 48.1 mtp -131.13 148.6 52.74 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 108.711 -0.848 . . . . 1.11 108.711 -179.067 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 2.2 p -160.12 127.2 4.45 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.85 0.357 . . . . 1.06 111.631 -176.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' TRP . . . . . 0.545 ' CD1' ' HA ' ' A' ' 26' ' ' ARG . 57.5 t-105 -141.07 134.76 30.21 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.957 -0.565 . . . . 0.76 109.796 -179.443 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . 0.52 ' HD3' ' CD1' ' A' ' 131' ' ' TRP . 6.1 mptp? 52.45 38.26 24.94 Favored 'General case' 0 N--CA 1.462 0.149 0 O-C-N 123.561 0.538 . . . . 1.96 111.239 -174.411 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 79.71 -10.84 36.45 Favored Glycine 0 CA--C 1.521 0.462 0 C-N-CA 121.069 -0.586 . . . . 0.53 113.683 179.041 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 43.9 t -87.72 105.68 15.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 117.1 0.45 . . . . 0.43 110.162 -179.702 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 1.5 m -92.73 151.43 20.06 Favored 'General case' 0 N--CA 1.437 -1.125 0 CA-C-O 121.185 0.517 . . . . 1.14 111.141 -179.59 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 5.0 t -139.47 150.07 44.74 Favored 'General case' 0 C--N 1.313 -1.019 0 CA-C-N 115.157 -0.929 . . . . 0.4 109.389 176.157 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . 0.649 ' HA ' ' O ' ' A' ' 127' ' ' MET . 19.5 m -136.98 95.67 3.16 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.972 0.415 . . . . 0.79 110.384 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . 0.41 ' HD2' ' CE1' ' A' ' 19' ' ' PHE . 33.8 mtp180 -79.3 136.95 37.17 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.962 -0.755 . . . . 1.84 108.962 177.696 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 84.3 m-85 -100.56 106.53 18.05 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 121.36 0.6 . . . . 0.64 111.308 -175.488 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 87.5 m-85 -103.36 135.54 44.79 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 114.902 -1.044 . . . . 0.6 109.871 179.728 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . 0.534 ' HG3' ' O ' ' A' ' 142' ' ' LYS . 17.6 ptpt -113.09 168.5 9.65 Favored 'General case' 0 C--N 1.311 -1.069 0 N-CA-C 107.893 -1.151 . . . . 1.92 107.893 175.869 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . 0.615 ' O ' ' HG2' ' A' ' 12' ' ' LYS . 45.5 tttp -54.9 165.95 0.57 Allowed 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 118.441 0.564 . . . . 2.13 110.383 170.634 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . 0.546 ' NE2' ' HB3' ' A' ' 12' ' ' LYS . 52.8 mm-40 . . . . . 0 C--O 1.249 1.035 0 O-C-N 121.121 -0.987 . . . . 1.46 110.968 167.198 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1001 ' ' OLA . . . . . 0.522 ' H41' HG21 ' A' ' 41' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' -11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.481 1.106 0 CA-C-O 120.519 0.2 . . . . 14.47 111.388 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' -10' ' ' ARG . . . . . . . . . . . . . 81.7 mtp180 -77.59 -51.97 9.79 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.966 0.412 . . . . 15.82 110.507 -179.338 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' -9' ' ' GLY . . . . . . . . . . . . . . . -87.03 103.05 2.83 Favored Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 120.724 -0.75 . . . . 11.88 111.503 176.188 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' -8' ' ' SER . . . . . . . . . . . . . 29.3 m -62.96 132.55 52.42 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.882 0.373 . . . . 11.68 110.639 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' -7' ' ' HIS . . . . . . . . . . . . . 36.8 m170 -63.59 -30.92 71.97 Favored 'General case' 0 CA--C 1.519 -0.229 0 CA-C-N 115.928 -0.578 . . . . 11.79 110.21 178.744 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' -6' ' ' HIS . . . . . . . . . . . . . 9.8 t-160 -86.62 97.75 10.72 Favored 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 108.154 -1.054 . . . . 10.98 108.154 169.307 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' -5' ' ' HIS . . . . . 0.428 ' HB3' ' HB2' ' A' ' -2' ' ' HIS . 97.5 m-70 -64.96 97.24 0.22 Allowed 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.402 -0.817 . . . . 9.31 112.437 -169.663 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' -4' ' ' HIS . . . . . . . . . . . . . 32.6 m80 -79.72 -36.18 37.81 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 108.412 -0.958 . . . . 10.54 108.412 172.783 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' -3' ' ' HIS . . . . . . . . . . . . . 23.3 p80 -140.41 122.03 15.24 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 114.537 -1.21 . . . . 8.73 108.877 174.53 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' -2' ' ' HIS . . . . . 0.428 ' HB2' ' HB3' ' A' ' -5' ' ' HIS . 11.6 t-160 -137.77 62.7 1.57 Allowed 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.679 0.752 . . . . 7.06 110.075 -177.629 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 88.43 -68.46 2.91 Favored Glycine 0 N--CA 1.445 -0.725 0 CA-C-N 115.311 -0.859 . . . . 3.5 111.771 -179.421 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 12.3 m -94.76 126.06 39.83 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 120.921 0.391 . . . . 3.11 110.124 178.19 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.805 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 68.4 mttm -83.25 119.97 25.23 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.04 -0.527 . . . . 2.99 109.952 177.441 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 19.0 m -63.42 143.04 58.15 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 110.046 -0.353 . . . . 0.99 110.046 -176.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.644 HD23 ' HD2' ' A' ' 4' ' ' PRO . 0.1 OUTLIER -60.13 117.09 20.64 Favored Pre-proline 0 C--O 1.235 0.328 0 CA-C-N 116.178 -0.464 . . . . 0.59 111.348 -172.863 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.644 ' HD2' HD23 ' A' ' 3' ' ' LEU . 31.9 Cg_exo -57.82 128.89 30.82 Favored 'Trans proline' 0 N--CA 1.461 -0.419 0 C-N-CA 122.989 2.459 . . . . 0.61 111.419 173.598 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -54.76 -25.95 31.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.705 -0.68 . . . . 2.19 111.899 -179.341 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 57.6 mtpt -59.0 -19.85 47.45 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.408 0.522 . . . . 2.53 112.408 178.362 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.5 ' CE1' ' HG2' ' A' ' 120' ' ' ARG . 48.9 m-85 -96.09 5.75 50.41 Favored 'General case' 0 C--N 1.327 -0.4 0 O-C-N 122.165 -0.334 . . . . 0.6 111.43 179.87 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.522 HD23 ' HB3' ' A' ' 45' ' ' PHE . 97.2 mt -99.8 143.28 30.2 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.076 0.465 . . . . 0.46 111.752 -174.661 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 131.6 -179.74 16.84 Favored Glycine 0 N--CA 1.449 -0.481 0 CA-C-N 115.538 -0.755 . . . . 0.52 112.552 179.754 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.513 HG22 ' HG3' ' A' ' 143' ' ' GLN . 96.4 m -105.94 122.62 46.5 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.803 0.335 . . . . 1.05 110.171 177.637 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.42 ' HA ' ' HA ' ' A' ' 142' ' ' LYS . 77.7 m-85 -119.19 134.11 55.39 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.124 -0.489 . . . . 0.47 110.842 -176.396 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.486 ' HB3' ' CD ' ' A' ' 143' ' ' GLN . 0.0 OUTLIER -97.16 133.67 41.49 Favored 'General case' 0 C--O 1.234 0.282 0 C-N-CA 120.019 -0.673 . . . . 2.19 111.037 174.096 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 52.0 tp -59.72 129.15 40.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.753 -0.658 . . . . 1.14 110.904 174.429 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -104.58 -50.81 3.22 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.215 -0.448 . . . . 2.08 110.543 177.273 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 16.2 ptp180 -154.77 -179.03 7.63 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.547 -0.297 . . . . 3.36 110.552 -173.65 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.413 ' HA ' ' HA ' ' A' ' 138' ' ' ARG . 3.2 p30 -148.63 176.77 10.06 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.503 -0.317 . . . . 1.19 110.714 178.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -148.44 113.92 5.62 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.116 -0.493 . . . . 2.66 110.401 -178.761 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 44.9 t30 72.08 24.64 3.15 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-O 121.551 0.691 . . . . 0.76 111.263 175.293 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.484 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 14.0 t80 -73.61 -37.67 65.34 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.625 -0.716 . . . . 0.49 110.374 -175.08 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -52.09 -57.51 9.35 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.183 -0.462 . . . . 2.04 111.336 175.524 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 43.7 mm-40 -52.55 -42.41 64.4 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 115.769 -0.651 . . . . 1.79 110.897 177.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 89.5 t80 -58.65 -40.86 84.63 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 116.304 -0.407 . . . . 0.57 111.237 177.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.484 ' HG ' ' O ' ' A' ' 19' ' ' PHE . 96.5 mt -62.58 -44.11 97.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.038 0.447 . . . . 0.37 110.802 -178.464 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 55.9 mtmt -67.07 -40.47 87.06 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.86 -0.609 . . . . 1.88 110.674 179.718 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.5 -40.08 95.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.758 -0.655 . . . . 0.44 111.177 178.192 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 13.2 mmm180 -73.9 -7.11 51.04 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.824 -0.625 . . . . 1.29 111.556 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 94.58 11.1 57.36 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.536 -0.84 . . . . 0.62 112.895 174.298 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 74.6 m-85 -73.93 124.22 25.76 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-O 120.834 0.35 . . . . 0.64 110.099 179.06 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.515 ' O ' ' HG3' ' A' ' 33' ' ' ARG . . . -81.08 -177.13 51.45 Favored Glycine 0 N--CA 1.447 -0.6 0 N-CA-C 111.338 -0.705 . . . . 1.54 111.338 177.327 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 42.0 t90 -48.29 -46.08 35.64 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 111.727 0.269 . . . . 1.18 111.727 -177.212 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.817 ' H ' HD12 ' A' ' 31' ' ' ILE . 3.6 mp -51.8 -58.6 2.08 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.971 0 O-C-N 123.705 0.628 . . . . 2.16 110.087 -173.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 55.0 mmm -69.45 -39.71 77.59 Favored 'General case' 0 N--CA 1.422 -1.833 0 CA-C-N 115.179 -0.919 . . . . 0.97 111.058 -175.199 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.515 ' HG3' ' O ' ' A' ' 29' ' ' GLY . 44.9 mtm-85 -57.48 -42.32 82.39 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 120.919 -0.312 . . . . 1.87 111.324 -177.809 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.565 ' HG3' ' O ' ' A' ' 31' ' ' ILE . 0.0 OUTLIER -73.9 -35.3 64.64 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.632 -0.427 . . . . 1.97 110.721 -177.679 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.413 ' CG1' ' HG3' ' A' ' 64' ' ' LYS . 69.2 t -71.39 -51.19 35.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 121.154 0.502 . . . . 0.68 110.567 178.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.601 ' HA ' ' H9 ' ' A' 1001 ' ' OLA . 96.0 mt -52.78 -39.98 33.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.012 -0.995 . . . . 0.51 112.589 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.427 ' HG3' ' O ' ' A' ' 33' ' ' ARG . 61.5 mttm -63.22 -36.87 85.1 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 121.064 0.459 . . . . 0.97 111.45 178.228 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 46.2 mt -86.77 -5.12 59.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.07 -0.514 . . . . 2.08 111.57 -173.789 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -82.33 111.78 18.7 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.403 -0.362 . . . . 1.03 111.325 -177.212 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.453 ' O ' ' HA ' ' A' ' 62' ' ' THR . . . -69.29 137.1 28.99 Favored Glycine 0 N--CA 1.449 -0.443 0 N-CA-C 110.544 -1.022 . . . . 0.84 110.544 172.069 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 28.3 t -121.64 127.94 75.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-O 121.247 0.546 . . . . 1.3 112.003 -171.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 22.5 m -117.53 119.54 35.35 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.554 -0.748 . . . . 0.45 110.209 173.803 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.468 ' HZ3' ' ND2' ' A' ' 60' ' ' ASN . 69.5 mmtt -97.38 135.56 39.1 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.862 -0.421 . . . . 0.79 109.862 178.746 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.56 ' O ' ' HA ' ' A' ' 58' ' ' MET . 27.9 mtpp -133.18 131.78 40.8 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.708 0.289 . . . . 1.96 111.447 -178.13 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.566 ' CE2' ' HG3' ' A' ' 58' ' ' MET . 53.2 m-85 -129.51 142.95 50.66 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.718 -0.674 . . . . 0.54 109.382 172.536 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 12.7 ptm180 -162.47 166.53 24.81 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 120.795 0.331 . . . . 3.17 110.497 173.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -69.75 136.35 50.83 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 108.15 -1.055 . . . . 1.85 108.15 172.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.713 ' HB3' ' CG ' ' A' ' 55' ' ' ARG . . . -73.53 175.09 7.37 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.116 0.484 . . . . 0.87 111.598 -174.871 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -128.84 -15.6 4.32 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.62 -0.718 . . . . 1.48 111.108 -174.364 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 22.9 t -49.91 -22.34 1.49 Allowed 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 115.33 -0.85 . . . . 2.37 111.575 174.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 94.32 9.3 59.28 Favored Glycine 0 CA--C 1.52 0.39 0 C-N-CA 120.632 -0.794 . . . . 1.91 114.406 171.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.69 ' O ' ' HB3' ' A' ' 55' ' ' ARG . 4.1 mppt? -104.17 104.03 41.64 Favored Pre-proline 0 C--O 1.214 -0.789 0 CA-C-N 117.858 0.829 . . . . 3.17 110.107 177.811 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.408 ' C ' ' H ' ' A' ' 55' ' ' ARG . 9.6 Cg_endo -49.82 151.14 8.5 Favored 'Trans proline' 0 N--CA 1.474 0.352 0 C-N-CA 123.242 2.628 . . . . 1.84 113.256 -168.106 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 14.3 t70 84.77 -21.9 0.23 Allowed 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 124.52 1.128 . . . . 2.44 108.954 -174.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.713 ' CG ' ' HB3' ' A' ' 48' ' ' ALA . 24.6 ptt-85 -42.41 133.97 3.12 Favored 'General case' 0 C--O 1.239 0.508 0 CA-C-N 114.567 -1.197 . . . . 4.1 113.368 169.222 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 76.5 m-85 -139.23 159.05 43.06 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 109.161 -0.681 . . . . 0.97 109.161 166.544 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -117.02 134.14 55.12 Favored 'General case' 0 C--N 1.317 -0.844 0 N-CA-C 108.604 -0.888 . . . . 1.1 108.604 179.363 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.566 ' HG3' ' CE2' ' A' ' 45' ' ' PHE . 1.8 tmt? -143.21 140.49 30.74 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.917 0.389 . . . . 0.98 110.346 -176.412 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -130.82 141.21 50.33 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.069 0.461 . . . . 1.11 111.697 -177.699 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.468 ' ND2' ' HZ3' ' A' ' 43' ' ' LYS . 0.7 OUTLIER -112.91 85.51 2.19 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 107.037 -1.468 . . . . 1.17 107.037 173.076 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 85.9 mt -89.14 135.35 33.61 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 120.783 0.325 . . . . 1.67 110.958 -173.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.453 ' HA ' ' O ' ' A' ' 40' ' ' GLY . 18.5 p -136.66 -158.03 0.83 Allowed 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.194 -0.669 . . . . 0.45 109.194 -179.24 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 64.5 p -102.33 -17.65 15.79 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-O 121.017 0.437 . . . . 0.54 111.448 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.413 ' HG3' ' CG1' ' A' ' 35' ' ' VAL . 48.1 mmtm -112.57 -55.32 2.53 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.93 0.395 . . . . 2.24 111.187 -175.758 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 16.2 tppt? -127.02 126.16 42.66 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 116.107 -0.497 . . . . 1.82 110.296 -178.674 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -111.53 150.55 29.82 Favored 'General case' 0 C--N 1.318 -0.761 0 N-CA-C 108.888 -0.782 . . . . 2.12 108.888 179.297 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.513 HG23 HD13 ' A' ' 83' ' ' LEU . 34.3 p -124.94 152.68 43.8 Favored 'General case' 0 C--N 1.317 -0.847 0 N-CA-C 110.221 -0.288 . . . . 0.56 110.221 179.444 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 21.1 t-160 -136.76 83.13 1.98 Allowed 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.044 0.45 . . . . 1.95 110.097 -178.775 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.512 ' HD2' ' SD ' ' A' ' 58' ' ' MET . 27.4 m-70 -73.71 88.16 1.72 Allowed 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 108.953 -0.758 . . . . 0.39 108.953 177.445 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 8.8 ptpt -89.68 135.17 33.77 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 112.455 0.539 . . . . 2.3 112.455 -178.18 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 46.67 61.33 2.85 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 114.038 -1.437 . . . . 2.07 112.809 174.085 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 55.2 p-90 -100.1 149.35 23.59 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.118 -0.946 . . . . 0.43 109.231 172.465 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.563 ' O ' ' HB2' ' A' ' 76' ' ' GLU . . . -116.93 154.02 31.57 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 116.383 -0.371 . . . . 0.55 110.084 179.193 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.805 ' HG ' ' O ' ' A' ' 1' ' ' LYS . 3.8 mm? -59.22 128.29 36.42 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.099 0.476 . . . . 1.71 111.175 174.292 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 86.19 6.68 81.24 Favored Glycine 0 N--CA 1.447 -0.624 0 CA-C-N 115.486 -0.779 . . . . 0.59 111.794 -178.551 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.563 ' HB2' ' O ' ' A' ' 73' ' ' ALA . 9.8 mm-40 -103.18 150.56 23.56 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.513 0.673 . . . . 2.37 111.648 -178.25 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.503 ' HA ' ' O ' ' A' ' 90' ' ' ILE . 28.8 tt0 -130.72 118.33 20.73 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 114.648 -1.16 . . . . 1.4 108.734 -177.078 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 48.0 p90 -128.88 151.88 49.14 Favored 'General case' 0 C--N 1.317 -0.818 0 N-CA-C 110.24 -0.282 . . . . 0.57 110.24 -176.613 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.452 ' HA ' ' O ' ' A' ' 88' ' ' HIS . 1.8 mp0 -84.85 147.73 26.65 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 108.893 -0.781 . . . . 1.95 108.893 174.794 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.403 ' HB3' HD12 ' A' ' 90' ' ' ILE . 26.4 t0 -164.92 165.69 20.12 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.47 -0.332 . . . . 1.26 110.27 -171.163 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.476 ' O ' HG22 ' A' ' 67' ' ' THR . 34.1 tt0 -101.63 97.36 7.79 Favored 'General case' 0 CA--C 1.514 -0.431 0 N-CA-C 108.832 -0.803 . . . . 2.13 108.832 178.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -84.15 176.59 8.68 Favored 'General case' 0 C--N 1.314 -0.967 0 CA-C-N 114.992 -1.004 . . . . 0.95 112.899 -171.185 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.682 HD22 ' H ' ' A' ' 83' ' ' LEU . 2.4 mm? -54.75 -38.79 67.6 Favored 'General case' 0 CA--C 1.515 -0.389 0 CA-C-O 121.454 0.645 . . . . 1.34 109.641 179.323 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.63 ' HA ' H142 ' A' 1001 ' ' OLA . 6.4 p-10 -74.93 8.85 2.21 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 114.887 -1.051 . . . . 1.55 111.033 -173.85 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 7.4 m 64.45 38.01 7.84 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 115.221 -0.9 . . . . 1.21 111.895 169.284 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 25.0 p -122.93 161.43 24.2 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.964 -0.562 . . . . 0.93 110.642 174.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.416 HE22 ' HB2' ' A' ' 81' ' ' GLU . 10.4 mm100 -106.53 79.94 1.42 Allowed 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 107.92 -1.141 . . . . 1.88 107.92 176.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . 0.564 ' HB2' ' HA ' ' A' ' 106' ' ' LYS . 10.0 p-80 -124.81 173.68 8.43 Favored 'General case' 0 C--N 1.313 -1.012 0 C-N-CA 119.971 -0.692 . . . . 1.04 111.241 -164.473 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.514 ' O ' ' HD2' ' A' ' 88' ' ' HIS . 62.7 pttt -85.73 136.21 33.44 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-O 121.442 0.639 . . . . 1.49 110.356 -178.388 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.503 ' O ' ' HA ' ' A' ' 77' ' ' GLU . 7.6 mt -131.4 127.07 59.45 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.848 0 CA-C-N 115.498 -0.774 . . . . 0.54 110.72 -171.494 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 15.8 m -117.37 141.83 47.84 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 120.895 0.379 . . . . 0.43 111.235 -178.101 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 37.3 m-85 -117.81 133.01 56.36 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.595 -0.73 . . . . 0.6 109.109 174.569 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -153.97 142.45 20.71 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.9 0.381 . . . . 1.69 110.801 -175.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.506 HD23 HD11 ' A' ' 74' ' ' LEU . 0.4 OUTLIER -87.61 114.83 24.59 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 108.978 -0.749 . . . . 1.12 108.978 177.016 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 59.7 tttp -86.46 -42.04 13.92 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.14 -0.689 . . . . 3.03 109.14 -175.122 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -155.41 164.79 20.0 Favored Pre-proline 0 C--N 1.319 -0.718 0 N-CA-C 106.935 -1.506 . . . . 1.79 106.935 172.238 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_exo -58.79 0.32 0.43 Allowed 'Trans proline' 0 N--CA 1.48 0.696 0 C-N-CA 123.309 2.673 . . . . 0.98 114.762 -172.756 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . 0.446 ' O ' ' HA ' ' A' ' 119' ' ' ARG . 7.4 t30 -135.31 18.97 3.38 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.043 0.449 . . . . 2.32 109.996 177.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 25.6 m -145.08 107.01 4.28 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-O 121.182 0.515 . . . . 0.56 111.839 179.347 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.498 HD12 HD21 ' A' ' 3' ' ' LEU . 0.8 OUTLIER -93.38 136.95 33.16 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.696 -1.224 . . . . 1.1 107.696 170.852 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 17.5 p -112.71 128.86 56.52 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 119.117 0.871 . . . . 0.41 111.452 179.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 69.5 tt0 -111.33 102.57 10.96 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.325 -0.852 . . . . 1.31 109.12 175.021 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 25.0 m -98.19 114.76 27.1 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.105 0.479 . . . . 0.51 111.033 -174.813 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 39.5 m170 -96.1 100.52 12.16 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.913 -0.585 . . . . 1.69 110.179 176.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.47 ' O ' ' HB2' ' A' ' 88' ' ' HIS . 17.9 mt -104.81 113.48 41.95 Favored 'Isoleucine or valine' 0 C--O 1.238 0.455 0 CA-C-O 121.177 0.513 . . . . 0.75 111.164 176.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.564 ' HA ' ' HB2' ' A' ' 88' ' ' HIS . 42.2 mtmt -63.63 117.31 6.63 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.369 -0.832 . . . . 1.61 111.134 179.361 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 11.4 m -57.63 -26.64 27.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.266 -0.879 . . . . 1.32 111.036 175.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -76.65 -51.9 10.67 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.498 -0.773 . . . . 2.5 110.771 179.762 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -138.85 91.93 11.46 Favored Pre-proline 0 CA--C 1.515 -0.371 0 CA-C-O 121.307 0.575 . . . . 2.39 110.081 -179.695 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 68.2 Cg_endo -73.73 8.92 1.76 Allowed 'Trans proline' 0 N--CA 1.464 -0.244 0 C-N-CA 123.566 2.844 . . . . 0.9 113.204 -176.08 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 41.7 p -92.29 -23.25 19.35 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.5 0.667 . . . . 1.47 110.185 175.153 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . 0.467 ' HB3' ' HE2' ' A' ' 106' ' ' LYS . 37.0 t70 -108.27 46.88 0.93 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.282 -0.872 . . . . 1.59 109.838 -175.688 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.431 HG12 ' HA ' ' A' ' 105' ' ' ILE . 14.5 m -70.29 -179.04 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.171 -0.922 . . . . 1.6 112.049 179.674 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -153.82 143.48 21.75 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.582 -0.736 . . . . 2.78 109.391 176.28 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 23.8 m -143.09 140.52 30.93 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.138 0.494 . . . . 0.53 111.478 -176.722 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -118.68 162.51 18.29 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 107.381 -1.34 . . . . 0.96 107.381 174.195 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . 0.518 ' HB2' ' HB3' ' A' ' 128' ' ' LYS . 30.3 mt-10 -135.17 123.87 23.76 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 108.131 -1.063 . . . . 1.27 108.131 179.444 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . 0.433 ' HB2' ' HB3' ' A' ' 100' ' ' LEU . 40.1 m-85 -93.42 115.83 28.37 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-O 120.887 0.375 . . . . 0.6 110.381 -175.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . 0.446 ' HA ' ' O ' ' A' ' 98' ' ' ASN . 88.7 mtm180 -120.46 157.1 30.09 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.822 -0.626 . . . . 3.41 110.327 -178.326 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . 0.5 ' HG2' ' CE1' ' A' ' 7' ' ' PHE . 12.1 mmm180 -102.48 140.37 36.85 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 110.235 -0.283 . . . . 1.96 110.235 174.721 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -142.28 89.3 2.15 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.557 -0.534 . . . . 1.08 109.557 173.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 71.55 -113.11 4.46 Favored Glycine 0 N--CA 1.446 -0.634 0 N-CA-C 111.052 -0.819 . . . . 0.92 111.052 -175.071 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -107.49 12.31 27.96 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.058 0.456 . . . . 2.31 110.409 176.746 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 -106.74 140.55 39.42 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 116.072 -0.513 . . . . 0.67 111.122 -179.196 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -91.89 117.62 29.97 Favored 'General case' 0 N--CA 1.449 -0.524 0 N-CA-C 107.479 -1.304 . . . . 1.03 107.479 170.613 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 72.1 t -111.55 120.08 61.28 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.855 0 CA-C-O 121.153 0.502 . . . . 0.47 110.29 -172.286 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' MET . . . . . 0.549 ' O ' ' HA ' ' A' ' 137' ' ' SER . 31.1 ttm -93.02 136.59 33.15 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-N 115.572 -0.74 . . . . 1.08 110.418 -179.312 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . 0.518 ' HB3' ' HB2' ' A' ' 117' ' ' GLU . 23.9 tptm -119.85 116.27 25.53 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 109.301 -0.629 . . . . 2.2 109.301 178.338 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' MET . . . . . 0.503 ' HB2' ' CG2' ' A' ' 136' ' ' THR . 16.3 mtp -122.79 133.73 54.44 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 108.445 -0.946 . . . . 1.11 108.445 -179.803 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . 0.425 ' HA ' ' O ' ' A' ' 134' ' ' VAL . 10.8 p -141.19 129.68 22.57 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.185 0.517 . . . . 1.06 111.615 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' TRP . . . . . 0.428 ' CD1' ' HG3' ' A' ' 132' ' ' LYS . 53.1 t-105 -144.93 130.23 18.66 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.318 -0.855 . . . . 0.76 110.085 178.526 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . 0.428 ' HG3' ' CD1' ' A' ' 131' ' ' TRP . 67.8 mttm 51.51 44.26 29.15 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 121.196 0.522 . . . . 1.96 111.245 -177.451 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 80.93 -22.14 5.18 Favored Glycine 0 CA--C 1.52 0.353 0 CA-C-N 115.725 -0.67 . . . . 0.53 113.016 179.616 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . 0.425 ' O ' ' HA ' ' A' ' 130' ' ' SER . 27.7 t -74.85 107.83 5.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 N-CA-C 110.159 -0.312 . . . . 0.43 110.159 -177.73 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 1.2 m -102.71 137.21 41.23 Favored 'General case' 0 N--CA 1.433 -1.285 0 CA-C-O 121.134 0.493 . . . . 1.14 110.992 -179.739 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . 0.503 ' CG2' ' HB2' ' A' ' 129' ' ' MET . 6.2 t -134.81 135.63 41.92 Favored 'General case' 0 C--N 1.309 -1.171 0 CA-C-N 115.344 -0.843 . . . . 0.4 110.22 179.615 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . 0.549 ' HA ' ' O ' ' A' ' 127' ' ' MET . 62.0 m -116.47 110.0 18.04 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.242 -0.435 . . . . 0.79 109.961 176.068 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . 0.46 ' NH1' ' H62' ' A' 1001 ' ' OLA . 29.7 mtp180 -90.2 131.42 36.04 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.232 -0.655 . . . . 1.84 109.232 177.392 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -100.41 112.22 24.55 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.196 0.522 . . . . 0.64 111.091 -174.624 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 68.8 m-85 -107.76 135.03 49.87 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.252 -0.885 . . . . 0.6 108.841 177.116 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 13.3 ptpt -108.45 168.17 9.51 Favored 'General case' 0 C--N 1.309 -1.154 0 N-CA-C 107.565 -1.272 . . . . 1.92 107.565 172.728 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . 0.42 ' HA ' ' HA ' ' A' ' 11' ' ' PHE . 78.5 tttt -57.24 170.19 0.51 Allowed 'General case' 0 C--N 1.313 -1.003 0 CA-C-O 121.251 0.548 . . . . 2.13 110.888 174.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . 0.566 ' HA ' HE21 ' A' ' 143' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--O 1.248 0.976 0 O-C-N 121.33 -0.856 . . . . 1.46 109.838 160.633 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1001 ' ' OLA . . . . . 0.63 H142 ' HA ' ' A' ' 84' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' -11' ' ' MET . . . . . . . . . . . . . 14.3 tpt . . . . . 0 N--CA 1.482 1.153 0 CA-C-O 120.582 0.229 . . . . 14.47 110.563 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' -10' ' ' ARG . . . . . . . . . . . . . 9.4 ptp180 -140.6 24.28 2.25 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.821 0.343 . . . . 15.82 110.541 177.057 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' -9' ' ' GLY . . . . . . . . . . . . . . . 90.63 99.93 1.18 Allowed Glycine 0 N--CA 1.445 -0.728 0 C-N-CA 120.501 -0.857 . . . . 11.88 111.822 -176.513 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' -8' ' ' SER . . . . . . . . . . . . . 48.8 m -82.33 54.11 2.48 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.279 0.562 . . . . 11.68 111.706 -176.647 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' -7' ' ' HIS . . . . . . . . . . . . . 15.9 t60 -132.39 -67.81 0.64 Allowed 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.806 -0.813 . . . . 11.79 108.806 173.321 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' -6' ' ' HIS . . . . . . . . . . . . . 9.0 t-160 -88.35 126.72 35.34 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 108.347 -0.983 . . . . 10.98 108.347 175.074 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' -5' ' ' HIS . . . . . . . . . . . . . 66.5 m-70 65.34 43.22 3.58 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 120.939 0.399 . . . . 9.31 110.773 -174.023 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' -4' ' ' HIS . . . . . . . . . . . . . 24.2 p-80 -78.13 -42.8 30.74 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.864 -0.421 . . . . 10.54 109.864 178.138 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' -3' ' ' HIS . . . . . . . . . . . . . 43.1 m-70 -162.39 76.46 0.46 Allowed 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 108.773 -0.825 . . . . 8.73 108.773 177.722 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 25.5 t-80 -95.92 -4.0 44.24 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.207 0.527 . . . . 7.06 110.322 -175.491 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 92.14 -155.57 23.03 Favored Glycine 0 N--CA 1.442 -0.961 0 C-N-CA 120.583 -0.818 . . . . 3.5 112.161 179.38 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 3.0 m -82.8 136.38 34.68 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-O 120.866 0.365 . . . . 3.11 111.037 -176.396 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.445 ' O ' HD13 ' A' ' 74' ' ' LEU . 52.1 mttp -67.93 124.0 22.16 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 107.179 -1.415 . . . . 2.99 107.179 166.212 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 2.0 m -70.82 126.34 29.33 Favored 'General case' 0 C--N 1.319 -0.739 0 C-N-CA 120.395 -0.522 . . . . 0.99 110.533 -172.558 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.453 ' HA ' HD23 ' A' ' 3' ' ' LEU . 5.7 mt -62.05 123.84 79.54 Favored Pre-proline 0 C--N 1.323 -0.58 0 CA-C-N 115.487 -0.779 . . . . 0.59 111.508 179.548 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_exo -59.8 135.44 63.63 Favored 'Trans proline' 0 N--CA 1.458 -0.585 0 C-N-CA 122.722 2.281 . . . . 0.61 110.567 171.119 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.435 ' HA ' HD12 ' A' ' 8' ' ' LEU . 6.1 m-20 -54.76 -21.79 12.14 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 115.978 -0.556 . . . . 2.19 111.824 -178.442 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.579 ' O ' ' HD3' ' A' ' 120' ' ' ARG . 67.9 mttm -59.79 -26.92 66.12 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.309 0.485 . . . . 2.53 112.309 176.31 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -99.65 -0.48 40.17 Favored 'General case' 0 C--N 1.328 -0.327 0 O-C-N 122.036 -0.415 . . . . 0.6 110.258 -179.228 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.467 ' HA ' ' HB2' ' A' ' 45' ' ' PHE . 89.5 mt -102.64 145.42 29.69 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.184 0.516 . . . . 0.46 111.438 -174.177 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 127.24 -173.97 18.43 Favored Glycine 0 N--CA 1.446 -0.693 0 CA-C-N 115.441 -0.8 . . . . 0.52 111.559 -176.355 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.522 HG23 ' HG2' ' A' ' 44' ' ' LYS . 36.1 m -110.95 123.23 49.75 Favored 'General case' 0 N--CA 1.446 -0.625 0 N-CA-C 109.994 -0.373 . . . . 1.05 109.994 177.082 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.447 ' HA ' ' HA ' ' A' ' 142' ' ' LYS . 56.9 m-85 -118.24 136.07 53.89 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.317 -0.401 . . . . 0.47 111.166 -174.749 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.713 ' HB3' ' NE2' ' A' ' 143' ' ' GLN . 21.7 ptmt -101.05 132.4 46.51 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 120.061 -0.656 . . . . 2.19 111.7 173.591 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.588 HD23 ' CE2' ' A' ' 140' ' ' TYR . 2.8 tm? -58.35 129.58 42.67 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 115.127 -0.942 . . . . 1.14 110.816 176.606 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -106.48 -46.99 3.88 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.363 -0.381 . . . . 2.08 111.533 -179.551 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 2.2 ptm180 -162.44 -174.38 4.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.908 0.385 . . . . 3.36 110.901 -178.666 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -143.84 163.8 32.35 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.808 -0.633 . . . . 1.19 110.387 -179.277 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -145.74 118.47 8.64 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.571 -0.286 . . . . 2.66 110.628 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 42.4 t30 73.17 22.0 2.97 Favored 'General case' 0 N--CA 1.477 0.904 0 CA-C-O 121.764 0.792 . . . . 0.76 110.427 179.542 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.497 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 9.7 t80 -75.89 -42.2 49.83 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.103 -0.953 . . . . 0.49 111.273 -171.604 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.426 ' O ' ' HG3' ' A' ' 24' ' ' LYS . 8.2 p-10 -60.51 -42.05 95.61 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 121.176 -0.21 . . . . 2.04 110.564 177.711 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 22.9 mm-40 -54.18 -46.12 72.28 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.442 -0.345 . . . . 1.79 110.727 175.657 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 43.6 t80 -58.76 -39.65 81.62 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.293 -0.412 . . . . 0.57 110.71 176.575 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.497 ' HG ' ' O ' ' A' ' 19' ' ' PHE . 88.7 mt -67.5 -38.67 84.66 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.309 -0.405 . . . . 0.37 110.576 -175.448 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.426 ' HG3' ' O ' ' A' ' 20' ' ' ASP . 89.8 mttt -64.25 -50.26 68.66 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.841 -0.618 . . . . 1.88 110.054 177.118 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.04 -36.61 75.31 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.344 -0.844 . . . . 0.44 111.021 178.134 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.49 ' HA ' ' CD1' ' A' ' 131' ' ' TRP . 16.0 tpt180 -70.7 -17.81 62.82 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.786 -0.643 . . . . 1.29 111.14 -178.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 95.61 28.16 9.85 Favored Glycine 0 N--CA 1.447 -0.618 0 C-N-CA 120.766 -0.73 . . . . 0.62 112.762 179.428 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 48.8 m-85 -92.66 129.38 38.6 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.871 0.367 . . . . 0.64 110.397 175.808 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -74.9 178.68 45.87 Favored Glycine 0 N--CA 1.445 -0.703 0 CA-C-N 115.668 -0.697 . . . . 1.54 111.921 177.139 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.518 ' O ' ' HG2' ' A' ' 34' ' ' GLN . 90.4 t90 -50.63 -54.75 20.32 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 122.759 0.424 . . . . 1.18 111.901 -176.513 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 1.2 mm -52.77 -54.58 15.44 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.314 0 N-CA-C 111.989 0.366 . . . . 2.16 111.989 -178.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.75 -45.02 82.3 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.634 -0.257 . . . . 0.97 110.838 177.438 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.451 ' HA ' HD13 ' A' ' 23' ' ' LEU . 41.5 ttp180 -65.46 -21.01 66.6 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.186 0.517 . . . . 1.87 110.74 -177.838 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.518 ' HG2' ' O ' ' A' ' 30' ' ' TRP . 16.9 mm100 -84.02 -39.36 19.73 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.855 -0.611 . . . . 1.97 110.34 177.356 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 55.7 t -73.5 -57.45 6.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.26 -0.427 . . . . 0.68 111.111 -176.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.522 HG12 ' C9 ' ' A' 1001 ' ' OLA . 66.8 mt -47.43 -35.76 4.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 N-CA-C 113.753 1.02 . . . . 0.51 113.753 179.431 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.42 ' HG3' ' O ' ' A' ' 33' ' ' ARG . 40.3 mtmt -77.09 -21.83 53.72 Favored 'General case' 0 N--CA 1.467 0.39 0 O-C-N 121.967 -0.458 . . . . 0.97 111.681 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 54.9 mt -90.3 -13.58 34.96 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.245 0.545 . . . . 2.08 110.305 -179.443 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -75.82 109.21 9.24 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.407 -0.815 . . . . 1.03 111.049 -178.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.407 ' O ' ' HA ' ' A' ' 62' ' ' THR . . . -77.97 154.92 41.92 Favored Glycine 0 N--CA 1.444 -0.83 0 N-CA-C 110.387 -1.085 . . . . 0.84 110.387 174.159 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.445 HG22 HG22 ' A' ' 62' ' ' THR . 43.9 t -133.71 131.82 56.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-O 121.228 0.537 . . . . 1.3 110.723 -175.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 23.7 m -107.34 107.14 17.91 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.766 -0.652 . . . . 0.45 109.761 175.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.791 ' HE3' ' SD ' ' A' ' 127' ' ' MET . 74.2 mmtt -84.14 129.52 34.89 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.098 -0.501 . . . . 0.79 110.029 179.378 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.582 ' O ' ' HA ' ' A' ' 58' ' ' MET . 10.2 mtpm? -128.81 106.06 8.67 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 120.811 0.339 . . . . 1.96 110.726 177.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.484 ' CZ ' ' HE2' ' A' ' 58' ' ' MET . 91.4 m-85 -109.86 120.65 43.15 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 109.251 -0.648 . . . . 0.54 109.251 177.018 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 15.3 ptm180 -149.13 162.85 39.15 Favored 'General case' 0 C--N 1.319 -0.735 0 C-N-CA 120.68 -0.408 . . . . 3.17 111.072 -178.545 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.425 ' HA ' ' CD2' ' A' ' 56' ' ' TYR . 1.9 t-20 -65.83 144.26 56.95 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 107.602 -1.259 . . . . 1.85 107.602 171.676 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -47.14 130.29 12.63 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-O 121.554 0.693 . . . . 0.87 111.997 -171.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.11 -34.23 77.16 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 114.235 -1.348 . . . . 1.48 111.697 -169.148 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 19.3 m -72.44 13.22 0.36 Allowed 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 112.233 0.457 . . . . 2.37 112.233 178.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 76.03 29.09 59.35 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.8 -0.714 . . . . 1.91 113.074 177.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -92.93 123.46 61.24 Favored Pre-proline 0 C--N 1.323 -0.584 0 N-CA-C 110.087 -0.338 . . . . 3.17 110.087 177.124 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.476 ' O ' ' HB3' ' A' ' 54' ' ' ASP . 72.0 Cg_endo -76.01 146.33 29.05 Favored 'Trans proline' 0 N--CA 1.46 -0.462 0 C-N-CA 122.606 2.204 . . . . 1.84 111.761 177.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.476 ' HB3' ' O ' ' A' ' 53' ' ' PRO . 19.6 t70 78.73 -52.94 0.47 Allowed 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 123.803 0.841 . . . . 2.44 109.528 -179.857 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 4.1 tpp180 -55.89 132.36 49.44 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 114.804 -1.089 . . . . 4.1 110.689 172.426 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.425 ' CD2' ' HA ' ' A' ' 47' ' ' ASN . 48.4 m-85 -113.95 171.02 7.85 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.296 0.569 . . . . 0.97 111.837 179.124 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -132.74 135.45 45.75 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.269 -0.878 . . . . 1.1 108.662 176.667 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.582 ' HA ' ' O ' ' A' ' 44' ' ' LYS . 1.5 tmt? -144.2 142.73 30.69 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.594 -0.521 . . . . 0.98 109.594 -176.481 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.486 ' HG2' ' HB2' ' A' ' 44' ' ' LYS . 15.6 pt-20 -149.44 157.97 43.77 Favored 'General case' 0 C--N 1.319 -0.745 0 C-N-CA 120.457 -0.497 . . . . 1.11 111.687 -179.395 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.422 ' HB2' ' OG1' ' A' ' 67' ' ' THR . 31.9 m-80 -130.31 98.98 4.87 Favored 'General case' 0 CA--C 1.513 -0.465 0 CA-C-N 115.281 -0.872 . . . . 1.17 109.7 -178.389 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 93.6 mt -92.01 125.28 36.64 Favored 'General case' 0 C--N 1.316 -0.85 0 N-CA-C 109.752 -0.462 . . . . 1.67 109.752 176.704 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.445 HG22 HG22 ' A' ' 41' ' ' VAL . 29.9 p -126.73 -158.33 0.86 Allowed 'General case' 0 N--CA 1.446 -0.647 0 N-CA-C 109.966 -0.383 . . . . 0.45 109.966 -175.871 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 74.3 p -98.0 -36.29 10.17 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-O 121.151 0.5 . . . . 0.54 110.668 -178.826 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -102.02 -24.23 14.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.712 -0.676 . . . . 2.24 111.416 -175.608 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.71 ' HG3' ' H ' ' A' ' 66' ' ' ASP . 19.6 tptp -138.49 -146.31 0.21 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.013 0.435 . . . . 1.82 110.227 -174.851 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.71 ' H ' ' HG3' ' A' ' 65' ' ' LYS . 7.7 p-10 163.5 147.69 0.01 OUTLIER 'General case' 0 C--N 1.31 -1.132 0 CA-C-N 114.82 -1.082 . . . . 2.12 108.853 -165.542 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.512 HG22 ' O ' ' A' ' 81' ' ' GLU . 22.3 p -150.5 150.22 30.99 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 108.386 -0.968 . . . . 0.56 108.386 173.512 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 3.5 t-160 -144.12 99.06 3.32 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.419 0.628 . . . . 1.95 109.977 175.276 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 8.8 m-70 -79.6 81.47 5.86 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.021 -0.99 . . . . 0.39 109.289 179.565 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 61.8 mttm -71.65 122.11 19.99 Favored 'General case' 0 C--O 1.235 0.328 0 N-CA-C 112.368 0.507 . . . . 2.3 112.368 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 30.6 m-20 59.41 68.83 0.76 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.07 -0.968 . . . . 2.07 111.312 171.397 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' TRP . . . . . 0.426 ' HE1' ' HB2' ' A' ' 58' ' ' MET . 68.4 p-90 -109.26 144.18 37.74 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 116.032 -0.531 . . . . 0.43 109.836 177.007 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -111.71 136.31 51.13 Favored 'General case' 0 C--N 1.316 -0.869 0 N-CA-C 109.227 -0.657 . . . . 0.55 109.227 176.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.475 HD11 ' HG ' ' A' ' 94' ' ' LEU . 6.2 tt -61.77 129.91 43.24 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-O 121.322 0.582 . . . . 1.71 109.985 178.04 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 91.7 9.92 62.22 Favored Glycine 0 N--CA 1.448 -0.539 0 CA-C-N 115.534 -0.757 . . . . 0.59 111.923 -171.391 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -124.6 166.09 16.72 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 110.138 -0.319 . . . . 2.37 110.138 -178.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.449 ' HA ' ' O ' ' A' ' 90' ' ' ILE . 9.8 pt-20 -131.98 146.85 52.34 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.578 -0.897 . . . . 1.4 108.578 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 17.5 p90 -142.17 156.98 45.37 Favored 'General case' 0 C--N 1.308 -1.211 0 CA-C-N 116.557 -0.292 . . . . 0.57 111.409 -176.797 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -79.1 141.77 37.03 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.349 -0.612 . . . . 1.95 109.349 174.148 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -154.93 158.74 39.71 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 121.135 -0.226 . . . . 1.26 110.668 -174.158 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.512 ' O ' HG22 ' A' ' 67' ' ' THR . 30.9 tt0 -99.06 84.31 3.03 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 108.076 -1.083 . . . . 2.13 108.076 174.708 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.423 ' HA ' ' CG2' ' A' ' 67' ' ' THR . . . -67.73 170.07 8.51 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 114.52 -1.218 . . . . 0.95 113.9 -165.589 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.463 HD22 HG21 ' A' ' 67' ' ' THR . 3.0 mm? -54.43 -36.12 63.68 Favored 'General case' 0 CA--C 1.519 -0.237 0 CA-C-N 115.873 -0.603 . . . . 1.34 110.47 179.698 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.56 ' HA ' H131 ' A' 1001 ' ' OLA . 9.1 p-10 -79.06 17.99 0.69 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.554 -0.748 . . . . 1.55 111.918 -175.632 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 17.6 m 61.78 34.34 17.29 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 115.705 -0.679 . . . . 1.21 112.13 169.515 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 30.6 p -129.69 170.45 13.8 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 116.143 -0.48 . . . . 0.93 110.23 177.318 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 7.8 mm100 -109.04 118.68 37.42 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 108.071 -1.085 . . . . 1.88 108.071 176.736 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . 0.603 ' HB2' ' O ' ' A' ' 105' ' ' ILE . 19.9 p80 -160.96 176.34 11.51 Favored 'General case' 0 C--N 1.318 -0.795 0 C-N-CA 120.169 -0.612 . . . . 1.04 112.233 179.023 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.545 ' HG3' ' HB ' ' A' ' 105' ' ' ILE . 17.9 ptmt -82.5 152.99 25.82 Favored 'General case' 0 N--CA 1.445 -0.718 0 CA-C-N 115.359 -0.837 . . . . 1.49 109.996 -177.489 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.449 ' O ' ' HA ' ' A' ' 77' ' ' GLU . 65.0 mt -142.98 124.03 11.16 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.951 0 CA-C-N 115.438 -0.801 . . . . 0.54 109.697 -178.765 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 16.9 m -111.21 140.51 45.71 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 116.017 -0.538 . . . . 0.43 110.64 -177.761 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.404 ' HD2' HD11 ' A' ' 100' ' ' LEU . 6.3 m-85 -115.89 140.61 49.07 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 109.167 -0.679 . . . . 0.6 109.167 175.552 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.473 ' HA ' ' CD2' ' A' ' 74' ' ' LEU . 7.8 t0 -166.97 165.87 15.66 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.691 -0.485 . . . . 1.69 109.691 178.875 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.475 ' HG ' HD11 ' A' ' 74' ' ' LEU . 3.5 mt -103.6 127.56 51.01 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.869 0.366 . . . . 1.12 110.151 177.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 42.7 tttm -83.26 -47.21 11.76 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 107.279 -1.378 . . . . 3.03 107.279 173.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.436 ' C ' ' H ' ' A' ' 98' ' ' ASN . 12.9 m-20 -135.97 166.12 30.61 Favored Pre-proline 0 C--N 1.319 -0.733 0 N-CA-C 106.653 -1.61 . . . . 1.79 106.653 171.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 14.9 Cg_exo -70.96 6.83 1.54 Allowed 'Trans proline' 0 CA--C 1.528 0.199 0 C-N-CA 122.433 2.089 . . . . 0.98 110.979 176.294 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . 0.436 ' H ' ' C ' ' A' ' 96' ' ' ASP . 16.8 m120 -121.87 9.38 10.03 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 114.847 -1.07 . . . . 2.32 110.066 178.418 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 58.5 m -154.31 109.52 3.12 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-O 121.333 0.587 . . . . 0.56 112.159 -178.279 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.485 ' HB3' ' HB2' ' A' ' 118' ' ' TYR . 28.8 tp -87.66 143.65 27.07 Favored 'General case' 0 C--O 1.215 -0.733 0 CA-C-N 115.165 -0.925 . . . . 1.1 108.696 171.802 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 17.1 p -121.53 133.67 55.03 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 118.934 0.788 . . . . 0.41 111.577 179.62 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 62.0 tt0 -112.29 100.15 8.57 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.873 -0.788 . . . . 1.31 108.873 174.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 37.0 m -96.13 111.87 23.78 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.185 0.517 . . . . 0.51 110.842 -174.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . 0.465 ' HB3' ' CE1' ' A' ' 88' ' ' HIS . 39.4 m170 -93.46 108.42 20.11 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.825 -0.625 . . . . 1.69 109.849 179.841 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.603 ' O ' ' HB2' ' A' ' 88' ' ' HIS . 29.3 mt -110.98 118.69 57.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-O 121.224 0.535 . . . . 0.75 110.947 178.611 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.595 ' HA ' ' CB ' ' A' ' 88' ' ' HIS . 97.5 mttt -64.26 114.92 4.56 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.486 -0.779 . . . . 1.61 111.619 177.414 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.412 HG13 ' H ' ' A' ' 89' ' ' LYS . 14.2 m -58.07 -23.38 21.29 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-N 114.957 -1.019 . . . . 1.32 111.844 178.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -81.71 -42.13 20.3 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.277 -0.42 . . . . 2.5 110.453 178.712 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -146.03 98.08 4.43 Favored Pre-proline 0 C--N 1.322 -0.614 0 CA-C-O 121.456 0.646 . . . . 2.39 110.203 -178.502 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -75.37 17.35 0.64 Allowed 'Trans proline' 0 C--N 1.331 -0.351 0 C-N-CA 123.496 2.797 . . . . 0.9 113.873 -177.011 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 65.5 p -107.95 -17.79 13.96 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.237 -0.585 . . . . 1.47 110.684 175.523 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -99.15 43.57 1.05 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 122.104 0.954 . . . . 1.59 109.033 178.369 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 23.5 m -64.72 -172.99 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 114.207 -1.361 . . . . 1.6 113.778 -178.5 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -165.05 143.0 6.23 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 114.474 -1.239 . . . . 2.78 108.511 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 50.7 m -144.26 131.48 20.7 Favored 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 120.259 -0.576 . . . . 0.53 112.208 -179.453 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' TYR . . . . . 0.435 ' CZ ' ' H21' ' A' 1001 ' ' OLA . 9.3 m-30 -111.09 160.44 16.88 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 106.813 -1.551 . . . . 0.96 106.813 172.224 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . 0.47 ' HG2' ' O ' ' A' ' 128' ' ' LYS . 12.7 pt-20 -143.24 137.95 29.29 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 119.187 0.903 . . . . 1.27 109.471 176.41 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . 0.485 ' HB2' ' HB3' ' A' ' 100' ' ' LEU . 78.5 m-85 -107.14 114.84 29.16 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.685 -0.689 . . . . 0.6 111.194 -173.14 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 24.4 ptt180 -123.23 150.4 43.49 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.712 -0.676 . . . . 3.41 109.731 177.453 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . 0.579 ' HD3' ' O ' ' A' ' 6' ' ' LYS . 8.6 tpt180 -103.64 120.34 40.72 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.834 0.35 . . . . 1.96 110.82 -175.55 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -117.37 93.58 4.23 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.589 -0.523 . . . . 1.08 109.589 176.74 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 66.89 -114.64 6.56 Favored Glycine 0 N--CA 1.447 -0.623 0 C-N-CA 120.844 -0.693 . . . . 0.92 111.658 -176.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . 0.447 ' HA ' HH21 ' A' ' 120' ' ' ARG . 39.8 m-20 -99.77 3.94 45.11 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.038 0.446 . . . . 2.31 110.472 177.888 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . 0.689 ' CD2' ' HB3' ' A' ' 141' ' ' LYS . 80.6 m-85 -107.37 131.4 54.29 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.211 0.529 . . . . 0.67 111.574 -175.593 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.438 HD11 ' HD1' ' A' ' 118' ' ' TYR . 3.2 tm? -86.87 113.6 22.8 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 107.491 -1.299 . . . . 1.03 107.491 173.294 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 54.6 t -111.8 134.44 54.22 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.951 0 N-CA-C 109.707 -0.479 . . . . 0.47 109.707 -171.509 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' MET . . . . . 0.791 ' SD ' ' HE3' ' A' ' 43' ' ' LYS . 94.1 mtp -110.81 153.54 25.24 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-N 116.097 -0.501 . . . . 1.08 111.117 -177.899 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . 0.47 ' O ' ' HG2' ' A' ' 117' ' ' GLU . 33.8 tttm -134.3 134.69 42.16 Favored 'General case' 0 C--N 1.309 -1.154 0 CA-C-N 115.145 -0.934 . . . . 2.2 109.119 173.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' MET . . . . . 0.479 ' HG3' ' CG2' ' A' ' 136' ' ' THR . 7.7 ptm -142.24 130.38 22.07 Favored 'General case' 0 C--N 1.313 -0.98 0 N-CA-C 108.413 -0.958 . . . . 1.11 108.413 177.011 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -131.25 125.09 31.95 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.171 0.51 . . . . 1.06 111.912 -172.264 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' TRP . . . . . 0.49 ' CD1' ' HA ' ' A' ' 26' ' ' ARG . 52.4 t-105 -134.84 125.83 27.6 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.499 -0.773 . . . . 0.76 109.644 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 93.7 mttt 52.77 44.34 30.36 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.893 -0.594 . . . . 1.96 111.667 -177.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 85.51 -30.77 4.03 Favored Glycine 0 CA--C 1.519 0.312 0 C-N-CA 120.962 -0.637 . . . . 0.53 112.918 179.572 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 23.1 t -75.13 105.64 4.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 121.002 0.429 . . . . 0.43 110.454 -176.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -102.25 138.42 39.21 Favored 'General case' 0 N--CA 1.434 -1.231 0 CA-C-N 115.954 -0.567 . . . . 1.14 110.349 177.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . 0.479 ' CG2' ' HG3' ' A' ' 129' ' ' MET . 3.3 t -129.61 142.33 50.76 Favored 'General case' 0 C--N 1.309 -1.19 0 CA-C-N 115.741 -0.663 . . . . 0.4 110.206 178.588 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . 0.556 ' HA ' ' O ' ' A' ' 127' ' ' MET . 17.8 m -114.98 118.07 32.4 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.771 -0.65 . . . . 0.79 110.104 178.569 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . 0.464 ' NH1' ' H32' ' A' 1001 ' ' OLA . 60.3 mtp180 -94.33 140.2 30.1 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.378 -0.601 . . . . 1.84 109.378 177.094 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 -105.63 110.03 22.2 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.298 0.571 . . . . 0.64 111.489 -174.514 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 140' ' ' TYR . . . . . 0.588 ' CE2' HD23 ' A' ' 13' ' ' LEU . 14.6 m-85 -110.97 154.8 23.62 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.182 -0.917 . . . . 0.6 109.019 174.282 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . 0.689 ' HB3' ' CD2' ' A' ' 124' ' ' TYR . 0.0 OUTLIER -134.83 177.14 8.02 Favored 'General case' 0 C--N 1.311 -1.09 0 N-CA-C 107.069 -1.456 . . . . 1.92 107.069 163.582 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . 0.447 ' HA ' ' HA ' ' A' ' 11' ' ' PHE . 60.8 tttm -52.07 166.07 0.18 Allowed 'General case' 0 C--N 1.315 -0.924 0 CA-C-O 121.562 0.696 . . . . 2.13 111.328 176.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . 0.713 ' NE2' ' HB3' ' A' ' 12' ' ' LYS . 44.9 mm-40 . . . . . 0 C--N 1.316 -0.86 0 N-CA-C 108.984 -0.747 . . . . 1.46 108.984 159.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1001 ' ' OLA . . . . . 0.595 ' C9 ' H141 ' A' 1001 ' ' OLA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' -11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.481 1.086 0 CA-C-O 120.734 0.302 . . . . 14.47 110.802 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' -10' ' ' ARG . . . . . . . . . . . . . 21.3 tpp180 -156.16 92.92 1.38 Allowed 'General case' 0 N--CA 1.453 -0.301 0 N-CA-C 109.689 -0.485 . . . . 15.82 109.689 -179.171 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' -9' ' ' GLY . . . . . . . . . . . . . . . 105.98 5.45 38.21 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.79 -0.719 . . . . 11.88 112.233 -178.707 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' -8' ' ' SER . . . . . . . . . . . . . 15.0 m -66.92 142.16 57.38 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.536 0.208 . . . . 11.68 110.51 -179.591 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' -7' ' ' HIS . . . . . . . . . . . . . 85.7 m-70 60.31 26.92 16.44 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 116.02 -0.537 . . . . 11.79 111.402 -179.551 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' -6' ' ' HIS . . . . . . . . . . . . . 39.7 m80 -109.78 -29.96 8.07 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.862 -0.608 . . . . 10.98 109.766 174.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' -5' ' ' HIS . . . . . . . . . . . . . 92.1 m-70 65.39 -78.22 0.04 OUTLIER 'General case' 0 N--CA 1.462 0.165 0 CA-C-N 115.102 -0.954 . . . . 9.31 111.622 177.794 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' -4' ' ' HIS . . . . . . . . . . . . . 24.5 m-70 -86.33 112.19 21.19 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.659 -0.246 . . . . 10.54 110.676 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' -3' ' ' HIS . . . . . . . . . . . . . 19.3 m-70 -68.08 114.59 6.73 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.104 -0.702 . . . . 8.73 109.104 172.733 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 49.5 p-80 -136.36 144.13 44.44 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 116.261 -0.427 . . . . 7.06 111.432 -170.679 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -84.35 -28.81 32.18 Favored Glycine 0 N--CA 1.447 -0.593 0 N-CA-C 110.406 -1.078 . . . . 3.5 110.406 171.74 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 18.2 m -137.15 140.19 41.68 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.068 -0.715 . . . . 3.11 109.068 172.716 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.483 ' O ' HD21 ' A' ' 74' ' ' LEU . 0.1 OUTLIER -81.74 129.97 34.9 Favored 'General case' 0 C--N 1.315 -0.906 0 N-CA-C 108.96 -0.756 . . . . 2.99 108.96 174.551 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 2.6 m -77.06 134.41 38.78 Favored 'General case' 0 C--N 1.312 -1.028 0 C-N-CA 120.65 -0.42 . . . . 0.99 110.072 -175.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.575 HD23 ' HD2' ' A' ' 4' ' ' PRO . 0.2 OUTLIER -59.38 120.0 44.37 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 115.783 -0.644 . . . . 0.59 110.579 -178.928 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.575 ' HD2' HD23 ' A' ' 3' ' ' LEU . 31.6 Cg_exo -57.81 130.58 39.2 Favored 'Trans proline' 0 N--CA 1.462 -0.333 0 C-N-CA 122.532 2.155 . . . . 0.61 110.795 174.065 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.476 ' HA ' HD12 ' A' ' 8' ' ' LEU . 3.2 m-20 -59.8 -20.24 55.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.003 -0.544 . . . . 2.19 112.276 -175.075 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 57.7 mtmt -70.9 -7.3 44.8 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 111.998 0.37 . . . . 2.53 111.998 177.396 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 31.4 m-85 -93.38 -6.58 46.87 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.623 -0.51 . . . . 0.6 109.623 172.034 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.52 HD23 ' HB3' ' A' ' 45' ' ' PHE . 87.6 mt -100.8 156.97 17.06 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.462 0.649 . . . . 0.46 111.514 -171.534 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 131.31 -147.11 18.41 Favored Glycine 0 N--CA 1.443 -0.844 0 CA-C-N 114.813 -1.085 . . . . 0.52 111.34 -179.546 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.586 HG23 ' HB2' ' A' ' 143' ' ' GLN . 12.9 t -153.63 141.59 20.23 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-O 121.062 0.458 . . . . 1.05 110.096 177.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.677 ' HA ' ' HA ' ' A' ' 142' ' ' LYS . 64.8 m-85 -132.12 135.41 46.38 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 115.865 -0.607 . . . . 0.47 111.895 -175.767 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.741 ' HG2' HE21 ' A' ' 143' ' ' GLN . 38.1 mtmt -75.3 -161.17 0.14 Allowed 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 109.082 -0.71 . . . . 2.19 109.082 163.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.512 HD12 ' HB ' ' A' ' 41' ' ' VAL . 3.8 tt -135.26 108.59 7.81 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.139 -0.689 . . . . 1.14 109.139 -176.352 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -83.66 -48.33 10.29 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.459 -0.337 . . . . 2.08 111.195 -178.297 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.41 HH11 ' HD3' ' A' ' 15' ' ' ARG . 1.7 ptm180 -163.75 -174.55 3.72 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.282 0.563 . . . . 3.36 111.633 -177.324 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.548 ' HB3' ' HE ' ' A' ' 138' ' ' ARG . 2.8 p30 -156.28 172.33 18.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.431 -0.804 . . . . 1.19 109.594 176.686 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -143.49 114.28 7.66 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.645 -0.252 . . . . 2.66 110.781 -178.205 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 48.9 t30 74.18 22.6 2.26 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-O 121.644 0.735 . . . . 0.76 111.118 175.51 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 68.5 t80 -73.74 -37.24 65.14 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.475 -0.784 . . . . 0.49 110.919 -174.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -59.47 -48.0 83.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.422 -0.354 . . . . 2.04 111.069 177.509 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.424 ' HA ' ' HD3' ' A' ' 24' ' ' LYS . 40.3 mm-40 -56.51 -40.03 74.3 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 116.225 -0.443 . . . . 1.79 111.006 176.528 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 89.1 t80 -57.6 -38.24 74.56 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.163 -0.471 . . . . 0.57 110.976 176.473 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.431 ' CD2' H183 ' A' 1001 ' ' OLA . 95.4 mt -66.35 -38.97 88.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.947 0.403 . . . . 0.37 110.705 -179.26 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.424 ' HD3' ' HA ' ' A' ' 21' ' ' GLU . 55.8 mtpt -62.41 -44.96 95.2 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.682 -0.69 . . . . 1.88 109.765 177.164 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.74 -41.12 90.23 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.248 -0.887 . . . . 0.44 110.899 176.422 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 13.5 mmm180 -66.18 -15.12 62.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.941 -0.572 . . . . 1.29 111.738 -178.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 94.85 18.29 35.18 Favored Glycine 0 N--CA 1.447 -0.598 0 C-N-CA 120.568 -0.825 . . . . 0.62 112.372 179.174 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 40.3 m-85 -86.91 127.47 35.06 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.853 0.359 . . . . 0.64 110.415 178.215 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.501 ' O ' ' HG3' ' A' ' 33' ' ' ARG . . . -71.88 172.9 45.68 Favored Glycine 0 N--CA 1.445 -0.758 0 CA-C-N 115.713 -0.676 . . . . 1.54 112.414 179.331 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.575 ' O ' ' HG2' ' A' ' 34' ' ' GLN . 86.3 t90 -51.0 -50.07 59.22 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 122.765 0.426 . . . . 1.18 111.757 -176.727 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 1.1 mm -55.6 -53.1 40.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 N-CA-C 112.137 0.421 . . . . 2.16 112.137 -179.082 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.535 ' O ' HG13 ' A' ' 36' ' ' ILE . 45.6 mmm -56.92 -41.46 78.21 Favored 'General case' 0 CA--C 1.51 -0.578 0 CA-C-N 116.446 -0.343 . . . . 0.97 111.134 179.013 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.572 ' O ' ' HG3' ' A' ' 37' ' ' LYS . 75.7 mtm-85 -64.23 -31.03 72.07 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 120.922 -0.311 . . . . 1.87 110.513 179.632 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.575 ' HG2' ' O ' ' A' ' 30' ' ' TRP . 27.4 mm-40 -67.15 -24.61 65.91 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.246 0.546 . . . . 1.97 109.999 178.838 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 72.1 t -86.12 -65.72 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 115.594 -0.73 . . . . 0.68 110.536 174.647 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.629 ' HA ' ' H9 ' ' A' 1001 ' ' OLA . 57.3 mt -47.05 -55.0 2.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 N-CA-C 114.673 1.36 . . . . 0.51 114.673 -173.294 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.572 ' HG3' ' O ' ' A' ' 33' ' ' ARG . 0.0 OUTLIER -88.86 18.02 5.16 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 119.628 -0.829 . . . . 0.97 112.124 -174.181 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.522 ' C ' HD13 ' A' ' 38' ' ' LEU . 2.3 tm? -119.68 -41.09 2.71 Favored 'General case' 0 N--CA 1.442 -0.835 0 N-CA-C 109.345 -0.613 . . . . 2.08 109.345 178.343 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -54.34 141.18 31.07 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 115.923 -0.58 . . . . 1.03 112.236 -179.343 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -78.18 141.23 24.79 Favored Glycine 0 N--CA 1.449 -0.472 0 CA-C-N 115.728 -0.669 . . . . 0.84 111.87 176.772 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.512 ' HB ' HD12 ' A' ' 13' ' ' LEU . 37.7 t -126.66 128.91 71.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 120.906 0.384 . . . . 1.3 110.757 -176.277 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.438 ' HB ' ' HB2' ' A' ' 61' ' ' LEU . 19.3 m -114.91 113.66 24.46 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.749 -0.66 . . . . 0.45 109.659 175.838 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.464 ' HG3' ' HE2' ' A' ' 58' ' ' MET . 17.2 ttmt -107.49 137.36 45.66 Favored 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 121.068 -0.253 . . . . 0.79 110.571 -174.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.562 ' HG2' ' OG1' ' A' ' 10' ' ' THR . 27.0 mtpp -134.0 143.14 47.95 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 116.571 -0.286 . . . . 1.96 111.629 -173.839 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.522 ' CE2' ' HG3' ' A' ' 58' ' ' MET . 44.6 m-85 -130.85 129.11 41.91 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.844 -0.616 . . . . 0.54 109.539 171.676 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.446 ' HG3' ' HB3' ' A' ' 57' ' ' ASP . 2.5 ptp180 -152.59 176.07 12.1 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 120.786 0.327 . . . . 3.17 110.694 178.788 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 15.1 m120 -57.89 162.56 3.18 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.744 -0.662 . . . . 1.85 109.543 170.661 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.469 ' HB1' ' OD1' ' A' ' 71' ' ' ASP . . . -60.04 161.76 6.42 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.947 0.404 . . . . 0.87 111.842 -176.281 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -45.89 -63.12 1.05 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.142 -0.935 . . . . 1.48 112.716 -177.504 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 32.0 t -69.96 -33.5 72.19 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.235 0.54 . . . . 2.37 109.58 179.763 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 114.13 32.23 2.06 Favored Glycine 0 N--CA 1.45 -0.385 0 CA-C-N 115.602 -0.726 . . . . 1.91 113.305 171.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 5.3 mptp? -78.95 136.05 58.42 Favored Pre-proline 0 C--N 1.324 -0.526 0 CA-C-N 116.755 0.278 . . . . 3.17 110.35 177.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 33.2 Cg_endo -65.92 157.01 61.44 Favored 'Trans proline' 0 CA--C 1.528 0.208 0 C-N-CA 122.896 2.397 . . . . 1.84 111.994 177.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 59.39 13.66 3.31 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-O 121.734 0.778 . . . . 2.44 110.586 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 95.4 mtt180 -135.86 130.53 34.04 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 114.326 -1.306 . . . . 4.1 107.728 172.643 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.574 ' CE1' ' HB2' ' A' ' 3' ' ' LEU . 84.2 m-85 -129.07 170.61 13.29 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-O 121.349 0.595 . . . . 0.97 112.313 -173.695 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.446 ' HB3' ' HG3' ' A' ' 46' ' ' ARG . 8.6 t70 -126.65 141.76 51.75 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 114.912 -1.04 . . . . 1.1 109.084 -179.425 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.538 ' HG2' ' O ' ' A' ' 44' ' ' LYS . 2.0 tmt? -151.11 149.86 30.0 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 109.151 -0.685 . . . . 0.98 109.151 -177.595 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -152.73 156.0 38.31 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.166 0.508 . . . . 1.11 111.89 -177.362 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -122.75 85.51 2.43 Favored 'General case' 0 CA--C 1.519 -0.216 0 N-CA-C 108.053 -1.092 . . . . 1.17 108.053 -178.705 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.502 HD23 ' HB3' ' A' ' 66' ' ' ASP . 87.6 mt -77.81 132.0 37.84 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 120.584 0.231 . . . . 1.67 110.601 -177.489 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.45 HG21 ' H72' ' A' 1001 ' ' OLA . 17.4 p -135.22 -153.93 0.55 Allowed 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.882 -0.414 . . . . 0.45 109.882 -177.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 62.0 p -106.16 -28.05 10.7 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.169 0.509 . . . . 0.54 110.676 178.132 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 43.6 mmtm -102.07 -31.74 10.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.73 -0.668 . . . . 2.24 112.293 -170.435 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.58 ' O ' HD12 ' A' ' 83' ' ' LEU . 55.1 tptt -165.29 133.11 3.08 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 109.448 -0.575 . . . . 1.82 109.448 -175.543 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.502 ' HB3' HD23 ' A' ' 61' ' ' LEU . 10.7 m-20 -113.98 125.23 53.79 Favored 'General case' 0 C--N 1.318 -0.762 0 C-N-CA 120.52 -0.472 . . . . 2.12 110.877 -177.601 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.62 HG23 HD13 ' A' ' 83' ' ' LEU . 3.3 p -87.86 149.57 24.04 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 109.386 -0.598 . . . . 0.56 109.386 175.864 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.47 ' CD2' ' HB3' ' A' ' 70' ' ' LYS . 4.4 t-160 -137.16 88.64 2.37 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-O 121.263 0.554 . . . . 1.95 109.625 175.544 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.479 ' HD2' ' SD ' ' A' ' 58' ' ' MET . 7.2 m-70 -77.73 83.51 4.09 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 108.4 -0.963 . . . . 0.39 108.4 176.698 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.47 ' HB3' ' CD2' ' A' ' 68' ' ' HIS . 1.5 ptmm? -98.11 134.52 41.07 Favored 'General case' 0 C--N 1.314 -0.943 0 CA-C-N 116.04 -0.527 . . . . 2.3 112.252 -175.206 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.469 ' OD1' ' HB1' ' A' ' 48' ' ' ALA . 20.1 m-20 62.68 62.66 1.07 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 114.848 -1.069 . . . . 2.07 111.432 175.159 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 66.3 p-90 -119.45 159.87 23.44 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.169 0.509 . . . . 0.43 110.59 177.009 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.534 ' O ' ' HB3' ' A' ' 76' ' ' GLU . . . -127.76 154.07 45.8 Favored 'General case' 0 C--N 1.313 -0.995 0 N-CA-C 109.151 -0.685 . . . . 0.55 109.151 171.35 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.672 HD13 ' H ' ' A' ' 74' ' ' LEU . 0.0 OUTLIER -63.55 143.85 57.48 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.561 0.696 . . . . 1.71 110.396 174.345 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 81.08 2.05 90.27 Favored Glycine 0 C--N 1.317 -0.506 0 CA-C-N 115.426 -0.806 . . . . 0.59 111.687 -171.605 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.534 ' HB3' ' O ' ' A' ' 73' ' ' ALA . 42.1 tt0 -113.61 158.42 20.84 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.737 0.303 . . . . 2.37 110.215 -177.173 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.4 ' HA ' ' HA ' ' A' ' 91' ' ' THR . 3.4 pt-20 -140.76 145.38 36.31 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 108.907 -0.775 . . . . 1.4 108.907 -176.45 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.471 ' CZ ' ' HB3' ' A' ' 69' ' ' HIS . 19.6 p90 -144.55 163.6 33.4 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 116.641 -0.254 . . . . 0.57 111.372 -174.592 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -82.02 143.95 31.21 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 108.536 -0.913 . . . . 1.95 108.536 171.625 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.448 ' HB3' HD12 ' A' ' 90' ' ' ILE . 11.1 t70 -146.41 159.78 42.94 Favored 'General case' 0 C--O 1.248 0.985 0 N-CA-C 112.544 0.572 . . . . 1.26 112.544 -173.02 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.492 ' CD ' HE22 ' A' ' 87' ' ' GLN . 41.2 mm-40 -90.52 75.61 6.7 Favored 'General case' 0 C--N 1.343 0.314 0 CA-C-N 114.68 -1.145 . . . . 2.13 109.317 179.402 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.07 148.54 35.39 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-N 115.613 -0.721 . . . . 0.95 112.877 -169.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.67 HD22 ' H ' ' A' ' 83' ' ' LEU . 1.5 mm? -52.51 -29.12 23.52 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 115.304 -0.862 . . . . 1.34 110.244 177.263 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.509 ' CA ' H141 ' A' 1001 ' ' OLA . 31.1 t70 -72.49 5.78 2.79 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 114.497 -1.229 . . . . 1.55 111.705 -175.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 40.3 m 68.52 22.06 7.86 Favored 'General case' 0 N--CA 1.464 0.243 0 C-N-CA 123.038 0.535 . . . . 1.21 110.474 179.308 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 3.0 p -119.7 162.13 19.54 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.761 -0.654 . . . . 0.93 111.274 -178.497 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.577 ' HA ' HE21 ' A' ' 87' ' ' GLN . 0.1 OUTLIER -109.6 109.63 20.45 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 108.938 -0.764 . . . . 1.88 108.938 -179.616 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . 0.533 ' CB ' ' HA ' ' A' ' 106' ' ' LYS . 25.7 p80 -154.49 176.97 11.71 Favored 'General case' 0 C--N 1.318 -0.784 0 C-N-CA 119.007 -1.077 . . . . 1.04 112.599 -177.704 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 26.6 ttpp -81.54 148.17 29.28 Favored 'General case' 0 N--CA 1.444 -0.757 0 CA-C-N 114.772 -1.104 . . . . 1.49 110.639 -174.415 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.448 HD12 ' HB3' ' A' ' 80' ' ' ASP . 56.0 mt -142.0 129.44 20.53 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.835 0 CA-C-N 115.018 -0.992 . . . . 0.54 109.542 177.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.4 ' HA ' ' HA ' ' A' ' 77' ' ' GLU . 20.9 m -114.49 140.32 48.83 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 116.125 -0.488 . . . . 0.43 110.788 -177.469 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.493 ' CD2' HD21 ' A' ' 100' ' ' LEU . 10.2 m-85 -114.61 131.06 56.83 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 108.802 -0.814 . . . . 0.6 108.802 173.8 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -148.48 136.96 21.36 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 120.898 0.38 . . . . 1.69 110.854 -178.388 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -89.21 108.66 19.74 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 108.905 -0.776 . . . . 1.12 108.905 175.67 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 48.9 tptt -86.0 -54.07 4.71 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.158 -0.682 . . . . 3.03 109.158 -173.534 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.409 ' C ' ' H ' ' A' ' 98' ' ' ASN . 13.2 m-20 -121.68 163.86 28.39 Favored Pre-proline 0 C--N 1.319 -0.737 0 N-CA-C 107.995 -1.113 . . . . 1.79 107.995 174.778 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_exo -67.42 5.33 0.96 Allowed 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 122.981 2.454 . . . . 0.98 112.374 -177.095 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . 0.409 ' H ' ' C ' ' A' ' 96' ' ' ASP . 9.4 p30 -144.86 19.86 1.63 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.498 -0.774 . . . . 2.32 110.07 179.046 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 24.7 m -145.85 109.82 4.89 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-O 120.995 0.426 . . . . 0.56 111.673 -178.592 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.499 HD23 ' N ' ' A' ' 101' ' ' THR . 7.1 tt -98.54 140.89 32.1 Favored 'General case' 0 C--O 1.217 -0.61 0 N-CA-C 108.449 -0.945 . . . . 1.1 108.449 175.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.499 ' N ' HD23 ' A' ' 100' ' ' LEU . 12.0 p -118.79 132.91 56.14 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 118.777 0.717 . . . . 0.41 111.397 179.342 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 58.6 tt0 -113.66 105.77 13.72 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.681 -0.69 . . . . 1.31 109.48 177.082 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 12.8 m -102.63 114.41 28.61 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.035 0.445 . . . . 0.51 111.281 -175.089 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . 0.52 ' HB2' ' HB3' ' A' ' 114' ' ' GLU . 11.9 m170 -95.63 119.33 33.94 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.423 -0.584 . . . . 1.69 109.423 177.721 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.513 ' O ' ' HB2' ' A' ' 88' ' ' HIS . 42.2 mt -120.39 119.2 59.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-O 121.201 0.524 . . . . 0.75 111.046 174.424 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.562 ' HB3' ' OD2' ' A' ' 108' ' ' ASP . 94.0 mttt -67.2 108.44 2.7 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.202 -0.908 . . . . 1.61 111.23 177.623 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 28.6 m -59.53 -21.53 21.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.001 -1.0 . . . . 1.32 112.661 -178.408 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . 0.562 ' OD2' ' HB3' ' A' ' 106' ' ' LYS . 17.6 p-10 -80.43 -40.59 26.08 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.829 0.347 . . . . 2.5 110.45 -179.533 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -150.21 95.05 3.64 Favored Pre-proline 0 C--N 1.325 -0.489 0 N-CA-C 109.289 -0.634 . . . . 2.39 109.289 177.637 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_endo -72.55 11.21 0.84 Allowed 'Trans proline' 0 C--O 1.233 0.261 0 C-N-CA 123.412 2.742 . . . . 0.9 112.439 -176.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 34.5 p -75.03 -24.82 58.37 Favored 'General case' 0 N--CA 1.447 -0.6 0 N-CA-C 109.003 -0.739 . . . . 1.47 109.003 173.063 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -112.63 119.2 37.29 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 115.038 -0.983 . . . . 1.59 109.512 174.627 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.442 ' CG1' HG12 ' A' ' 105' ' ' ILE . 32.9 m -131.13 -166.78 0.49 Allowed 'Isoleucine or valine' 0 N--CA 1.433 -1.306 0 N-CA-C 108.269 -1.011 . . . . 1.6 108.269 178.268 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.52 ' HB3' ' HB2' ' A' ' 104' ' ' HIS . 43.6 tt0 -173.67 123.07 0.35 Allowed 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 118.149 0.431 . . . . 2.78 110.259 -172.359 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 4.2 m -127.67 132.82 49.64 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.207 0.527 . . . . 0.53 112.298 -173.384 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 8.3 m-85 -106.08 165.87 10.91 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 107.427 -1.323 . . . . 0.96 107.427 168.448 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . 0.523 ' HG2' ' O ' ' A' ' 128' ' ' LYS . 12.8 pt-20 -146.53 124.9 12.3 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 107.865 -1.161 . . . . 1.27 107.865 167.431 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . 0.497 ' HB2' ' HB3' ' A' ' 100' ' ' LEU . 15.5 m-85 -93.91 112.56 24.43 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.304 -0.862 . . . . 0.6 111.148 -170.837 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 59.3 mtt180 -120.95 142.34 49.84 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 108.639 -0.875 . . . . 3.41 108.639 174.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.99 146.69 25.25 Favored 'General case' 0 C--N 1.32 -0.695 0 C-N-CA 120.347 -0.541 . . . . 1.96 111.046 -177.435 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -136.97 68.09 1.43 Allowed 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.432 -0.804 . . . . 1.08 108.925 173.364 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 77.0 -110.49 3.03 Favored Glycine 0 N--CA 1.447 -0.594 0 CA-C-N 115.412 -0.813 . . . . 0.92 112.261 -178.667 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -93.12 8.76 38.8 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.158 0.504 . . . . 2.31 110.319 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . 0.572 ' CE2' ' HE3' ' A' ' 141' ' ' LYS . 97.8 m-85 -116.24 126.65 53.89 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.518 -0.765 . . . . 0.67 110.946 -179.428 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -88.97 120.88 30.78 Favored 'General case' 0 C--N 1.316 -0.857 0 N-CA-C 106.699 -1.593 . . . . 1.03 106.699 166.429 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 13.8 t -102.02 106.21 19.36 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.211 0 CA-C-O 121.454 0.645 . . . . 0.47 109.405 -173.089 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' MET . . . . . . . . . . . . . 6.6 ttm -81.1 120.36 24.74 Favored 'General case' 0 C--N 1.313 -0.983 0 CA-C-N 114.698 -1.137 . . . . 1.08 109.791 178.657 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . 0.523 ' O ' ' HG2' ' A' ' 117' ' ' GLU . 23.3 tptm -116.46 116.35 27.5 Favored 'General case' 0 C--N 1.314 -0.971 0 N-CA-C 108.831 -0.803 . . . . 2.2 108.831 179.568 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' MET . . . . . 0.41 ' CG ' HG23 ' A' ' 136' ' ' THR . 4.6 ptm -135.85 146.83 47.88 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-N 115.622 -0.717 . . . . 1.11 109.341 -176.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 10.4 p -147.46 137.67 23.12 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.067 0.46 . . . . 1.06 111.818 -174.483 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' TRP . . . . . 0.472 ' CD1' ' HG3' ' A' ' 132' ' ' LYS . 43.0 t-105 -145.27 131.06 19.04 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.486 -0.779 . . . . 0.76 109.778 176.312 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . 0.472 ' HG3' ' CD1' ' A' ' 131' ' ' TRP . 68.2 mttm 52.31 41.75 30.63 Favored 'General case' 0 C--N 1.329 -0.326 0 O-C-N 123.624 0.578 . . . . 1.96 111.138 -177.514 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 80.78 -23.12 4.45 Favored Glycine 0 CA--C 1.521 0.448 0 C-N-CA 120.963 -0.637 . . . . 0.53 112.982 179.807 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 13.4 t -69.69 102.96 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 N-CA-C 109.696 -0.483 . . . . 0.43 109.696 -179.159 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 1.9 m -99.8 139.47 35.43 Favored 'General case' 0 N--CA 1.433 -1.31 0 CA-C-N 115.85 -0.614 . . . . 1.14 110.517 -178.811 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . 0.41 HG23 ' CG ' ' A' ' 129' ' ' MET . 3.3 t -138.07 140.22 39.92 Favored 'General case' 0 C--N 1.309 -1.168 0 CA-C-N 115.4 -0.818 . . . . 0.4 110.747 -179.325 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 17.0 m -116.61 109.24 16.96 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.59 -0.732 . . . . 0.79 109.649 176.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . 0.548 ' HE ' ' HB3' ' A' ' 16' ' ' ASP . 20.7 ttm180 -99.51 125.64 45.31 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.153 -0.476 . . . . 1.84 110.1 178.79 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 94.9 m-85 -97.29 110.5 23.04 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.238 0.542 . . . . 0.64 111.085 -173.375 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 52.3 m-85 -94.01 119.36 32.78 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.345 -0.843 . . . . 0.6 109.688 178.228 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . 0.572 ' HE3' ' CE2' ' A' ' 124' ' ' TYR . 1.5 tppp? -102.55 127.23 49.71 Favored 'General case' 0 C--O 1.207 -1.137 0 N-CA-C 108.193 -1.039 . . . . 1.92 108.193 -175.415 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . 0.677 ' HA ' ' HA ' ' A' ' 11' ' ' PHE . 84.2 tttt -38.63 158.54 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 124.645 1.178 . . . . 2.13 113.906 -172.788 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . 0.741 HE21 ' HG2' ' A' ' 12' ' ' LYS . 2.8 mt-30 . . . . . 0 C--O 1.247 0.946 0 O-C-N 120.9 -1.125 . . . . 1.46 110.598 164.145 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1001 ' ' OLA . . . . . 0.629 ' H9 ' ' HA ' ' A' ' 36' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' -11' ' ' MET . . . . . . . . . . . . . 49.3 tpp . . . . . 0 N--CA 1.481 1.077 0 CA-C-O 120.731 0.301 . . . . 14.47 110.268 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' -10' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 55.22 68.21 0.9 Allowed 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 121.34 0.591 . . . . 15.82 110.579 -177.499 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' -9' ' ' GLY . . . . . . . . . . . . . . . 162.05 128.14 0.93 Allowed Glycine 0 N--CA 1.446 -0.689 0 CA-C-N 115.627 -0.715 . . . . 11.88 111.908 -179.224 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' -8' ' ' SER . . . . . . . . . . . . . 19.5 t -91.35 -38.71 12.45 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.127 0.489 . . . . 11.68 109.964 179.152 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' -7' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -75.36 133.8 41.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.945 -0.57 . . . . 11.79 110.797 178.683 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' -6' ' ' HIS . . . . . . . . . . . . . 47.6 t-80 -130.9 66.54 1.53 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.147 0.498 . . . . 10.98 110.011 179.501 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' -5' ' ' HIS . . . . . . . . . . . . . 12.0 p80 -162.59 53.34 0.2 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.381 0.61 . . . . 9.31 110.845 -179.227 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' -4' ' ' HIS . . . . . . . . . . . . . 8.8 p80 -75.44 -8.77 57.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.036 -0.529 . . . . 10.54 111.336 -178.312 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' -3' ' ' HIS . . . . . . . . . . . . . 14.5 t-80 -163.12 -39.95 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.661 -0.496 . . . . 8.73 109.661 171.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 9.9 m170 -79.97 62.79 4.29 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.973 -0.558 . . . . 7.06 110.067 175.329 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 149.68 93.44 0.11 Allowed Glycine 0 N--CA 1.445 -0.721 0 N-CA-C 111.321 -0.712 . . . . 3.5 111.321 -177.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . 0.626 ' HB2' ' HB3' ' A' ' 74' ' ' LEU . 7.8 m -87.95 -168.33 2.18 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 121.313 0.577 . . . . 3.11 111.562 -175.759 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -76.49 -170.61 1.56 Allowed 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.378 -0.828 . . . . 2.99 109.938 175.343 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 38.7 m -86.72 142.16 28.38 Favored 'General case' 0 C--N 1.313 -0.994 0 N-CA-C 108.186 -1.042 . . . . 0.99 108.186 168.303 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.614 HD23 ' HD2' ' A' ' 4' ' ' PRO . 0.2 OUTLIER -59.43 116.48 16.52 Favored Pre-proline 0 C--N 1.327 -0.377 0 O-C-N 123.335 0.397 . . . . 0.59 110.78 -175.382 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.614 ' HD2' HD23 ' A' ' 3' ' ' LEU . 52.5 Cg_exo -54.29 126.26 21.58 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.793 2.329 . . . . 0.61 111.01 175.511 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -56.68 -22.53 35.42 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.879 -0.601 . . . . 2.19 112.529 -174.198 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 14.9 mmmm -63.8 -21.55 66.48 Favored 'General case' 0 N--CA 1.463 0.185 0 N-CA-C 111.854 0.316 . . . . 2.53 111.854 177.01 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -92.19 0.43 57.46 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 121.171 -0.212 . . . . 0.6 110.901 -178.427 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.556 HD23 ' HB3' ' A' ' 45' ' ' PHE . 96.2 mt -96.25 152.28 18.72 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.308 0.575 . . . . 0.46 111.745 -174.534 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 125.18 168.11 12.69 Favored Glycine 0 N--CA 1.444 -0.79 0 CA-C-N 115.222 -0.899 . . . . 0.52 112.027 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.531 HG23 ' HG2' ' A' ' 44' ' ' LYS . 93.2 m -96.62 120.41 36.89 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.572 -0.529 . . . . 1.05 109.572 175.261 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.463 ' HA ' ' HA ' ' A' ' 142' ' ' LYS . 51.0 m-85 -112.81 129.89 56.28 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.226 -0.443 . . . . 0.47 111.193 -174.347 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.718 ' HB3' ' NE2' ' A' ' 143' ' ' GLN . 21.9 ptmt -95.07 130.95 41.56 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 120.181 -0.608 . . . . 2.19 111.021 170.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.45 HD23 ' N ' ' A' ' 14' ' ' GLU . 4.9 tt -62.45 129.15 39.36 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-N 116.045 -0.525 . . . . 1.14 110.665 177.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.45 ' N ' HD23 ' A' ' 13' ' ' LEU . 32.6 tt0 -102.85 -52.47 3.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.148 -0.478 . . . . 2.08 110.786 176.543 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 24.7 ptt-85 -153.59 175.24 13.44 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.204 -0.453 . . . . 3.36 110.299 -172.626 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -166.02 175.96 8.12 Favored 'General case' 0 C--N 1.329 -0.308 0 O-C-N 122.965 0.166 . . . . 1.19 110.877 -179.388 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -149.05 132.34 16.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.182 -0.463 . . . . 2.66 111.168 -176.376 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 63.3 t30 71.21 23.5 4.06 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-O 121.59 0.71 . . . . 0.76 111.394 171.667 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 52.0 t80 -73.15 -40.21 65.06 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.788 -0.642 . . . . 0.49 111.175 -175.56 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.58 ' OD1' ' HE3' ' A' ' 24' ' ' LYS . 20.6 t70 -59.64 -48.85 80.05 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.849 0.357 . . . . 2.04 110.835 179.73 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 52.0 mm-40 -58.12 -38.09 75.84 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 115.986 -0.552 . . . . 1.79 110.935 178.752 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 77.4 t80 -59.24 -41.04 87.8 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 120.878 0.371 . . . . 0.57 110.655 174.816 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 85.2 mt -63.97 -40.23 95.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.253 -0.431 . . . . 0.37 110.355 -178.355 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.58 ' HE3' ' OD1' ' A' ' 20' ' ' ASP . 97.0 mttt -62.78 -46.22 89.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.025 -0.534 . . . . 1.88 110.438 178.241 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.03 -40.44 85.03 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.305 -0.861 . . . . 0.44 111.094 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 13.8 mmm180 -73.74 -8.04 54.45 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.916 -0.584 . . . . 1.29 111.773 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 96.68 12.82 49.39 Favored Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 120.475 -0.869 . . . . 0.62 112.782 175.58 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 63.3 m-85 -81.31 125.37 30.27 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.927 0.394 . . . . 0.64 110.605 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -75.23 -178.92 43.1 Favored Glycine 0 N--CA 1.447 -0.581 0 CA-C-N 115.565 -0.743 . . . . 1.54 112.982 -178.619 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.549 ' O ' ' HG2' ' A' ' 34' ' ' GLN . 84.1 t90 -53.59 -49.11 68.46 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 123.14 0.576 . . . . 1.18 111.52 -176.592 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.412 HD13 ' HA ' ' A' ' 31' ' ' ILE . 1.3 mm -56.06 -50.92 67.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 120.822 0.344 . . . . 2.16 111.37 179.037 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.531 ' O ' HG13 ' A' ' 36' ' ' ILE . 0.1 OUTLIER -57.07 -43.5 82.17 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.936 -0.575 . . . . 0.97 110.345 177.66 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 48.4 mtm105 -64.48 -23.19 67.19 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.541 -0.299 . . . . 1.87 111.234 178.654 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.549 ' HG2' ' O ' ' A' ' 30' ' ' TRP . 30.3 mm-40 -78.09 -31.26 50.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.777 0.322 . . . . 1.97 110.631 177.007 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.446 ' CG1' ' HG3' ' A' ' 64' ' ' LYS . 95.8 t -88.6 -65.14 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.674 0 CA-C-O 120.838 0.352 . . . . 0.68 111.158 -178.517 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.643 ' HA ' ' H9 ' ' A' 1001 ' ' OLA . 28.5 mt -47.11 -46.67 8.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 C-N-CA 124.007 0.923 . . . . 0.51 113.191 -177.545 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -75.19 -18.44 60.16 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.978 0.418 . . . . 0.97 111.66 -173.107 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.545 HD23 ' O ' ' A' ' 34' ' ' GLN . 4.0 mm? -104.66 1.77 29.83 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.901 0.382 . . . . 2.08 111.141 -176.596 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -84.09 126.67 33.31 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.156 -0.475 . . . . 1.03 110.844 179.58 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.402 ' O ' ' HA ' ' A' ' 62' ' ' THR . . . -75.57 142.65 29.27 Favored Glycine 0 N--CA 1.448 -0.549 0 N-CA-C 110.965 -0.854 . . . . 0.84 110.965 173.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.569 HG21 ' H31' ' A' 1001 ' ' OLA . 15.4 t -128.79 133.01 67.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-O 121.216 0.532 . . . . 1.3 111.73 -170.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 27.2 m -117.06 114.34 23.6 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.446 -0.797 . . . . 0.45 110.132 174.555 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.481 ' HZ2' HG11 ' A' ' 41' ' ' VAL . 44.1 mmtm -90.28 135.22 33.81 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.566 -0.531 . . . . 0.79 109.566 178.251 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.531 ' HG2' HG23 ' A' ' 10' ' ' THR . 56.6 mtpt -129.29 102.27 6.36 Favored 'General case' 0 C--N 1.322 -0.622 0 C-N-CA 121.13 -0.228 . . . . 1.96 111.344 -177.06 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.556 ' HB3' HD23 ' A' ' 8' ' ' LEU . 59.0 m-85 -100.39 121.74 42.01 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.521 -0.548 . . . . 0.54 109.521 174.712 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.458 ' HG3' ' HB3' ' A' ' 57' ' ' ASP . 14.0 ptm180 -149.98 159.89 44.04 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 116.289 -0.414 . . . . 3.17 110.345 -179.192 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.517 ' HA ' ' CD2' ' A' ' 56' ' ' TYR . 13.0 p30 -68.59 153.46 43.73 Favored 'General case' 0 C--N 1.316 -0.861 0 N-CA-C 108.682 -0.859 . . . . 1.85 108.682 171.596 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -48.99 130.79 18.75 Favored 'General case' 0 CA--C 1.518 -0.274 0 CA-C-O 121.625 0.726 . . . . 0.87 111.501 -173.066 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.63 -34.79 77.76 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 114.412 -1.267 . . . . 1.48 111.792 -170.316 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 17.0 m -76.62 17.54 0.39 Allowed 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 112.262 0.467 . . . . 2.37 112.262 179.269 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 68.68 23.08 75.56 Favored Glycine 0 CA--C 1.517 0.17 0 C-N-CA 120.997 -0.62 . . . . 1.91 112.798 177.711 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.408 ' HB2' ' HE3' ' A' ' 52' ' ' LYS . 38.5 ttmt -86.21 116.53 66.15 Favored Pre-proline 0 N--CA 1.447 -0.613 0 N-CA-C 110.467 -0.197 . . . . 3.17 110.467 -177.277 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_exo -60.96 147.06 96.75 Favored 'Trans proline' 0 C--O 1.237 0.429 0 C-N-CA 123.123 2.549 . . . . 1.84 113.467 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 20.5 t70 80.95 -54.97 0.31 Allowed 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 114.548 -1.205 . . . . 2.44 110.014 174.339 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 9.9 mpt_? -63.64 143.4 57.86 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.259 -0.882 . . . . 4.1 111.632 174.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.517 ' CD2' ' HA ' ' A' ' 47' ' ' ASN . 73.5 m-85 -119.66 176.35 5.42 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.667 -0.697 . . . . 0.97 110.958 179.067 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.458 ' HB3' ' HG3' ' A' ' 46' ' ' ARG . 15.5 t70 -133.31 134.28 43.65 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 108.361 -0.977 . . . . 1.1 108.361 178.401 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.431 ' HA ' ' O ' ' A' ' 44' ' ' LYS . 12.1 tpt -137.19 129.77 30.05 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.609 0.242 . . . . 0.98 111.382 -172.694 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.437 ' HG2' ' HA ' ' A' ' 68' ' ' HIS . 41.3 mt-10 -124.85 142.68 51.27 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.36 0.6 . . . . 1.11 111.651 178.858 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.447 ' ND2' ' HE3' ' A' ' 43' ' ' LYS . 0.9 OUTLIER -122.03 72.06 1.02 Allowed 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.305 -0.998 . . . . 1.17 108.305 176.601 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 93.8 mt -74.89 141.66 44.14 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.016 -0.538 . . . . 1.67 111.11 -173.79 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.511 HG21 ' H52' ' A' 1001 ' ' OLA . 43.0 p -139.69 -158.38 0.85 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.351 -0.386 . . . . 0.45 110.28 -178.215 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 65.0 p -96.5 -30.86 13.1 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.163 0.506 . . . . 0.54 111.254 -178.67 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.446 ' HG3' ' CG1' ' A' ' 35' ' ' VAL . 74.4 mmtt -110.01 -21.95 12.06 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.051 -0.522 . . . . 2.24 111.04 -175.187 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.516 ' HG3' ' O ' ' A' ' 83' ' ' LEU . 0.3 OUTLIER -135.77 -155.54 0.64 Allowed 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.094 -0.503 . . . . 1.82 110.795 -173.064 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 165.85 132.95 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.121 -0.945 . . . . 2.12 109.655 -168.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 37.8 p -126.5 143.63 51.13 Favored 'General case' 0 C--N 1.316 -0.888 0 N-CA-C 108.974 -0.751 . . . . 0.56 108.974 171.818 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.437 ' HA ' ' HG2' ' A' ' 59' ' ' GLU . 23.4 t-160 -136.88 87.71 2.31 Favored 'General case' 0 C--N 1.316 -0.881 0 N-CA-C 109.555 -0.535 . . . . 1.95 109.555 179.044 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.405 ' O ' ' HD1' ' A' ' 72' ' ' TRP . 22.2 m-70 -75.26 80.16 2.37 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.259 -0.882 . . . . 0.39 109.928 -178.524 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.408 ' HA ' ' OD2' ' A' ' 57' ' ' ASP . 26.1 mtmt -70.87 122.37 19.81 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.829 0.677 . . . . 2.3 112.829 177.601 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 65.09 68.63 0.5 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.016 -0.993 . . . . 2.07 111.777 167.155 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' TRP . . . . . 0.405 ' HD1' ' O ' ' A' ' 69' ' ' HIS . 62.7 p-90 -114.1 140.74 48.24 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 120.845 0.355 . . . . 0.43 110.395 175.588 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.408 ' HB3' ' HB2' ' A' ' 76' ' ' GLU . . . -97.93 142.42 29.68 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 109.227 -0.657 . . . . 0.55 109.227 172.501 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.626 ' HB3' ' HB2' ' A' ' 0' ' ' SER . 3.4 mt -59.11 123.44 16.62 Favored 'General case' 0 C--N 1.311 -1.096 0 CA-C-O 121.202 0.525 . . . . 1.71 110.069 169.714 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.4 ' HA3' ' H ' ' A' ' 0' ' ' SER . . . 91.01 17.23 52.16 Favored Glycine 0 N--CA 1.448 -0.508 0 CA-C-N 115.722 -0.672 . . . . 0.59 112.397 -173.003 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.408 ' HB2' ' HB3' ' A' ' 73' ' ' ALA . 9.2 tp10 -113.32 154.75 26.35 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.163 0.506 . . . . 2.37 110.749 -178.644 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -127.6 106.16 8.97 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 108.045 -1.094 . . . . 1.4 108.045 -178.774 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 53.0 p90 -123.13 156.11 35.65 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 120.727 0.298 . . . . 0.57 111.522 -168.335 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 10.4 tt0 -79.39 141.88 36.49 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.471 -0.566 . . . . 1.95 109.471 175.613 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -151.96 158.6 43.35 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.545 -0.298 . . . . 1.26 111.533 -169.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -93.28 92.49 7.73 Favored 'General case' 0 CA--C 1.519 -0.229 0 N-CA-C 108.146 -1.057 . . . . 2.13 108.146 173.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -75.66 160.46 30.05 Favored 'General case' 0 C--N 1.312 -1.063 0 N-CA-C 113.671 0.989 . . . . 0.95 113.671 -166.528 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.516 ' O ' ' HG3' ' A' ' 65' ' ' LYS . 14.5 tp -60.74 -29.31 69.31 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 113.567 -1.651 . . . . 1.34 111.075 -177.378 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.573 ' HA ' H142 ' A' 1001 ' ' OLA . 7.0 p-10 -81.69 20.54 0.92 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.935 -0.575 . . . . 1.55 111.79 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 42.8 m 64.2 30.76 13.53 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 115.652 -0.704 . . . . 1.21 112.477 170.149 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 36.9 p -130.67 172.2 12.23 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 121.069 0.461 . . . . 0.93 110.163 176.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 12.5 mm100 -108.88 119.27 39.04 Favored 'General case' 0 C--N 1.317 -0.839 0 N-CA-C 108.226 -1.027 . . . . 1.88 108.226 176.378 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . 0.651 ' CB ' ' HA ' ' A' ' 106' ' ' LYS . 25.8 p80 -161.83 179.47 8.05 Favored 'General case' 0 C--N 1.32 -0.714 0 C-N-CA 120.345 -0.542 . . . . 1.04 111.713 178.684 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 61.8 pttt -88.96 154.92 19.84 Favored 'General case' 0 N--CA 1.442 -0.856 0 CA-C-N 115.663 -0.699 . . . . 1.49 110.499 -175.231 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 51.9 mt -142.37 129.25 19.11 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.007 0 CA-C-N 114.85 -1.068 . . . . 0.54 110.005 -177.821 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 1.3 m -105.15 133.17 50.37 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 115.975 -0.557 . . . . 0.43 110.832 -179.752 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -107.87 129.46 55.08 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 108.615 -0.883 . . . . 0.6 108.615 172.177 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -147.34 136.71 22.61 Favored 'General case' 0 C--N 1.315 -0.913 0 C-N-CA 121.11 -0.236 . . . . 1.69 110.395 -174.457 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.448 HD23 HD21 ' A' ' 74' ' ' LEU . 0.2 OUTLIER -90.46 109.62 20.75 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 108.693 -0.855 . . . . 1.12 108.693 175.66 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 33.8 tttm -79.86 -43.86 21.54 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.649 0.738 . . . . 3.03 109.522 -172.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -155.5 159.38 31.71 Favored Pre-proline 0 C--N 1.315 -0.913 0 N-CA-C 107.383 -1.34 . . . . 1.79 107.383 175.403 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 34.3 Cg_exo -60.81 4.06 0.24 Allowed 'Trans proline' 0 N--CA 1.476 0.478 0 C-N-CA 123.316 2.678 . . . . 0.98 114.668 -172.123 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . 0.403 ' O ' ' HA ' ' A' ' 119' ' ' ARG . 28.3 t-20 -124.99 -4.71 7.48 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.519 0.199 . . . . 2.32 110.901 177.595 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 70.3 m -141.59 117.41 10.45 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-O 121.511 0.672 . . . . 0.56 112.792 -176.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.608 HD23 ' N ' ' A' ' 101' ' ' THR . 7.4 tt -90.99 146.13 24.12 Favored 'General case' 0 C--O 1.222 -0.351 0 N-CA-C 108.189 -1.041 . . . . 1.1 108.189 172.47 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.608 ' N ' HD23 ' A' ' 100' ' ' LEU . 15.6 p -122.23 131.76 54.09 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 118.311 0.505 . . . . 0.41 111.316 178.251 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 56.2 tt0 -113.51 109.81 19.26 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.155 -0.683 . . . . 1.31 109.155 176.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 11.9 m -101.36 114.91 29.33 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.228 -0.442 . . . . 0.51 110.851 -175.019 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . 0.48 ' HE1' ' CE2' ' A' ' 116' ' ' TYR . 19.3 m170 -93.3 115.31 27.89 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.844 -0.428 . . . . 1.69 109.844 179.231 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.509 HG12 HG12 ' A' ' 113' ' ' VAL . 24.4 mt -122.13 117.9 53.76 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.321 0 CA-C-O 121.447 0.642 . . . . 0.75 111.338 179.161 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.651 ' HA ' ' CB ' ' A' ' 88' ' ' HIS . 98.2 mttt -66.41 118.35 9.93 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 115.34 -0.845 . . . . 1.61 111.58 178.172 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.472 ' H ' ' CB ' ' A' ' 88' ' ' HIS . 15.5 m -58.15 -22.88 20.35 Favored 'Isoleucine or valine' 0 C--O 1.233 0.205 0 CA-C-N 115.285 -0.87 . . . . 1.32 111.268 176.796 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -87.59 -50.16 6.7 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.847 -0.615 . . . . 2.5 110.531 177.473 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.587 ' O ' ' HB2' ' A' ' 106' ' ' LYS . 13.5 t70 -130.13 89.29 45.64 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.367 0.604 . . . . 2.39 110.111 -178.141 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -74.88 6.02 3.58 Favored 'Trans proline' 0 N--CA 1.462 -0.373 0 C-N-CA 123.221 2.614 . . . . 0.9 113.212 -177.63 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 18.1 p -94.12 -22.5 18.43 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.961 0.41 . . . . 1.47 110.859 176.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -93.53 53.54 1.89 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.512 0.672 . . . . 1.59 109.527 175.649 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.509 HG12 HG12 ' A' ' 105' ' ' ILE . 9.9 m -67.42 178.87 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.13 -0.941 . . . . 1.6 112.205 177.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -163.14 137.29 6.1 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.541 -0.754 . . . . 2.78 109.48 178.733 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 92.4 m -129.13 121.22 27.3 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.38 0.609 . . . . 0.53 111.935 -177.189 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' TYR . . . . . 0.48 ' CE2' ' HE1' ' A' ' 104' ' ' HIS . 11.1 m-30 -103.65 153.03 21.09 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 107.249 -1.389 . . . . 0.96 107.249 170.475 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . 0.493 ' HG2' HG22 ' A' ' 101' ' ' THR . 24.4 mt-10 -131.92 131.99 43.17 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 108.075 -1.083 . . . . 1.27 108.075 178.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . 0.477 ' HB2' ' HB3' ' A' ' 100' ' ' LEU . 80.9 m-85 -105.8 100.22 9.79 Favored 'General case' 0 C--N 1.314 -0.964 0 N-CA-C 109.935 -0.394 . . . . 0.6 109.935 -179.865 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . 0.415 ' NH1' ' HB2' ' A' ' 121' ' ' ASP . 0.0 OUTLIER -111.47 154.16 25.11 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 120.611 -0.435 . . . . 3.41 110.418 179.654 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 27.5 tpt180 -107.51 124.39 49.83 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.594 -0.276 . . . . 1.96 110.38 -175.673 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . 0.415 ' HB2' ' NH1' ' A' ' 119' ' ' ARG . 27.4 t70 -131.45 113.12 13.32 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 110.036 -0.357 . . . . 1.08 110.036 178.415 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 65.78 -113.35 5.69 Favored Glycine 0 N--CA 1.446 -0.658 0 N-CA-C 111.399 -0.681 . . . . 0.92 111.399 -177.299 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -116.06 11.62 15.38 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.88 0.371 . . . . 2.31 110.456 177.703 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 91.2 m-85 -111.72 141.96 44.66 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.27 0.557 . . . . 0.67 111.144 -179.36 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.428 HD21 ' HB3' ' A' ' 118' ' ' TYR . 3.1 tm? -82.67 115.69 21.72 Favored 'General case' 0 N--CA 1.445 -0.719 0 N-CA-C 106.749 -1.574 . . . . 1.03 106.749 168.749 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 60.3 t -103.09 107.75 22.8 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.96 0 CA-C-O 121.454 0.645 . . . . 0.47 109.723 -173.59 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' MET . . . . . 0.451 ' HB3' ' HB2' ' A' ' 138' ' ' ARG . 9.2 tpt -70.04 121.14 16.86 Favored 'General case' 0 N--CA 1.44 -0.926 0 CA-C-N 114.601 -1.181 . . . . 1.08 109.418 179.654 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . 0.444 ' HB3' ' HB2' ' A' ' 117' ' ' GLU . 25.9 tptp -118.35 88.7 2.97 Favored 'General case' 0 C--N 1.313 -0.984 0 CA-C-O 121.761 0.791 . . . . 2.2 109.149 -175.204 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' MET . . . . . 0.455 ' HB2' ' CG2' ' A' ' 136' ' ' THR . 42.5 mtp -103.91 135.66 45.01 Favored 'General case' 0 C--N 1.318 -0.801 0 N-CA-C 108.85 -0.796 . . . . 1.11 108.85 -178.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . 0.534 ' HA ' ' O ' ' A' ' 134' ' ' VAL . 8.3 m -145.94 136.61 24.24 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.392 0.615 . . . . 1.06 111.531 -178.273 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' TRP . . . . . 0.519 ' CD1' ' HD3' ' A' ' 132' ' ' LYS . 61.2 t-105 -151.53 130.64 12.67 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 114.687 -1.142 . . . . 0.76 109.49 178.45 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . 0.519 ' HD3' ' CD1' ' A' ' 131' ' ' TRP . 6.1 mptp? 49.53 44.46 24.18 Favored 'General case' 0 C--N 1.332 -0.189 0 O-C-N 123.637 0.586 . . . . 1.96 111.753 -175.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 82.97 -18.12 18.23 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.932 -0.651 . . . . 0.53 113.512 177.34 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . 0.534 ' O ' ' HA ' ' A' ' 130' ' ' SER . 15.8 t -79.27 107.26 11.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.973 0.387 . . . . 0.43 110.466 -178.199 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -104.28 127.59 51.94 Favored 'General case' 0 N--CA 1.444 -0.734 0 CA-C-O 121.383 0.611 . . . . 1.14 111.487 178.088 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . 0.455 ' CG2' ' HB2' ' A' ' 129' ' ' MET . 3.6 t -115.6 129.32 56.47 Favored 'General case' 0 C--N 1.314 -0.969 0 CA-C-N 115.261 -0.881 . . . . 0.4 109.909 177.771 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . 0.441 ' HA ' ' O ' ' A' ' 127' ' ' MET . 22.6 m -107.99 113.05 25.95 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.981 -0.554 . . . . 0.79 109.785 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . 0.519 ' HD3' ' O1 ' ' A' 1001 ' ' OLA . 25.0 mtp180 -108.47 123.5 48.98 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 109.69 -0.485 . . . . 1.84 109.69 -178.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 75.9 m-85 -90.2 107.39 19.1 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-O 121.393 0.616 . . . . 0.64 110.857 -173.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 140' ' ' TYR . . . . . 0.416 ' CE1' ' HG2' ' A' ' 43' ' ' LYS . 65.2 m-85 -99.86 120.41 39.72 Favored 'General case' 0 N--CA 1.443 -0.799 0 CA-C-N 114.865 -1.061 . . . . 0.6 109.608 177.412 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . 0.57 ' HG3' ' O ' ' A' ' 142' ' ' LYS . 17.5 ptpt -95.37 162.36 13.7 Favored 'General case' 0 C--N 1.312 -1.058 0 N-CA-C 107.029 -1.471 . . . . 1.92 107.029 174.442 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . 0.57 ' O ' ' HG3' ' A' ' 141' ' ' LYS . 39.0 tttt -61.33 -178.95 0.14 Allowed 'General case' 0 C--N 1.312 -1.022 0 CA-C-N 118.816 0.734 . . . . 2.13 110.633 173.733 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . 0.718 ' NE2' ' HB3' ' A' ' 12' ' ' LYS . 65.4 mm-40 . . . . . 0 C--O 1.248 1.013 0 O-C-N 121.506 -0.746 . . . . 1.46 110.321 163.297 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1001 ' ' OLA . . . . . 0.643 ' H9 ' ' HA ' ' A' ' 36' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' -11' ' ' MET . . . . . . . . . . . . . 97.3 mmm . . . . . 0 N--CA 1.479 0.995 0 N-CA-C 110.083 -0.34 . . . . 14.47 110.083 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' -10' ' ' ARG . . . . . . . . . . . . . 18.1 tpp180 -157.27 -44.62 0.07 Allowed 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.097 -0.501 . . . . 15.82 110.251 -178.64 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' -9' ' ' GLY . . . . . . . . . . . . . . . 176.1 68.08 0.06 OUTLIER Glycine 0 N--CA 1.444 -0.778 0 C-N-CA 120.651 -0.785 . . . . 11.88 111.969 -179.101 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' -8' ' ' SER . . . . . . . . . . . . . 23.8 m -77.83 84.96 4.12 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.256 0.55 . . . . 11.68 109.988 178.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' -7' ' ' HIS . . . . . . . . . . . . . 31.9 m80 -74.18 96.15 2.71 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.452 -0.795 . . . . 11.79 110.719 -177.638 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' -6' ' ' HIS . . . . . . . . . . . . . 32.8 m170 -71.45 86.03 0.85 Allowed 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.434 -0.58 . . . . 10.98 109.434 176.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' -5' ' ' HIS . . . . . . . . . . . . . 33.6 p-80 -91.19 116.08 28.53 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.396 -0.82 . . . . 9.31 110.721 -176.095 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' -4' ' ' HIS . . . . . . . . . . . . . 8.2 p-80 -115.6 99.32 7.25 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.725 -0.67 . . . . 10.54 111.014 -178.291 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' -3' ' ' HIS . . . . . . . . . . . . . 63.3 m-70 -133.03 36.06 3.49 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.138 -0.69 . . . . 8.73 109.138 176.172 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 38.2 t-80 -111.12 21.97 15.77 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.083 -0.962 . . . . 7.06 109.459 -175.639 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 77.53 -56.57 3.77 Favored Glycine 0 N--CA 1.449 -0.441 0 N-CA-C 111.166 -0.773 . . . . 3.5 111.166 -174.093 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 20.1 m -151.37 137.05 17.92 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 109.054 -0.721 . . . . 3.11 109.054 174.607 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 3.2 ttmp? -65.33 137.51 57.57 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 108.154 -1.054 . . . . 2.99 108.154 171.041 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.742 ' HA ' ' OH ' ' A' ' 56' ' ' TYR . 0.7 OUTLIER -82.75 124.36 30.18 Favored 'General case' 0 C--N 1.315 -0.92 0 C-N-CA 119.853 -0.739 . . . . 0.99 110.763 -175.877 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.44 ' HA ' HD23 ' A' ' 3' ' ' LEU . 5.7 mt -57.12 126.99 75.3 Favored Pre-proline 0 C--N 1.323 -0.55 0 CA-C-N 115.018 -0.992 . . . . 0.59 111.489 179.471 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_exo -60.12 131.02 36.86 Favored 'Trans proline' 0 N--CA 1.455 -0.747 0 C-N-CA 122.475 2.117 . . . . 0.61 110.875 172.188 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -50.94 -26.22 5.65 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 115.647 -0.706 . . . . 2.19 111.771 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.412 ' O ' ' HD3' ' A' ' 120' ' ' ARG . 75.8 mmtt -57.76 -22.63 48.01 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.478 0.547 . . . . 2.53 112.478 176.842 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 23.8 m-85 -104.36 -1.56 26.71 Favored 'General case' 0 C--O 1.225 -0.215 0 O-C-N 121.639 -0.663 . . . . 0.6 110.74 178.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.568 HD23 ' HB3' ' A' ' 45' ' ' PHE . 95.6 mt -101.6 152.98 20.16 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.154 0.502 . . . . 0.46 111.703 -173.219 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 123.01 -117.75 3.36 Favored Glycine 0 N--CA 1.445 -0.737 0 CA-C-N 115.408 -0.815 . . . . 0.52 111.658 -179.34 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.56 ' O ' ' HD2' ' A' ' 142' ' ' LYS . 12.4 t -167.7 136.03 2.45 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.362 0.601 . . . . 1.05 110.111 178.54 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.45 ' HB3' ' HB3' ' A' ' 140' ' ' TYR . 67.0 m-85 -130.98 127.74 38.99 Favored 'General case' 0 C--N 1.311 -1.085 0 CA-C-N 115.547 -0.751 . . . . 0.47 111.711 -175.494 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.462 ' HB3' HE21 ' A' ' 143' ' ' GLN . 0.0 OUTLIER -95.9 135.93 36.99 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 120.139 -0.624 . . . . 2.19 109.419 169.66 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.424 ' HA ' ' HA ' ' A' ' 140' ' ' TYR . 6.7 tt -59.06 129.69 43.38 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.104 0.478 . . . . 1.14 111.157 -178.595 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -97.53 -52.59 3.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.864 -0.607 . . . . 2.08 110.143 -178.753 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 34.7 ptt-85 -154.9 175.82 13.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.798 0.332 . . . . 3.36 110.765 -176.777 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -149.4 158.11 43.89 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.19 -0.459 . . . . 1.19 110.549 179.491 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 37.3 mm-40 -136.14 123.6 22.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.31 -0.404 . . . . 2.66 111.019 -177.723 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 4.0 t30 69.17 29.31 4.7 Favored 'General case' 0 N--CA 1.475 0.806 0 CA-C-O 121.797 0.808 . . . . 0.76 111.116 174.28 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 31.9 t80 -72.89 -42.42 63.6 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.374 -0.83 . . . . 0.49 110.888 -175.16 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -52.56 -57.04 11.24 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 116.126 -0.488 . . . . 2.04 111.521 176.836 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -56.14 -38.81 71.33 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 116.434 -0.348 . . . . 1.79 111.56 -179.703 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 60.2 t80 -58.82 -41.74 87.56 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 120.751 -0.38 . . . . 0.57 111.017 176.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 90.6 mt -65.8 -37.25 85.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.829 0.347 . . . . 0.37 110.883 -178.098 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 50.4 mtpt -64.87 -44.01 91.09 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.849 -0.614 . . . . 1.88 109.906 178.434 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.91 -40.36 84.3 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.285 -0.87 . . . . 0.44 110.893 176.054 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.498 ' NH1' ' HB2' ' A' ' 114' ' ' GLU . 16.6 mmm180 -65.11 -17.25 64.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.694 -0.685 . . . . 1.29 111.536 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 94.72 15.94 44.2 Favored Glycine 0 N--CA 1.443 -0.877 0 C-N-CA 120.597 -0.811 . . . . 0.62 112.258 -178.464 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 47.7 m-85 -84.11 125.58 32.27 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.889 0.376 . . . . 0.64 110.035 177.456 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.501 ' O ' ' HG3' ' A' ' 33' ' ' ARG . . . -77.6 -178.08 47.7 Favored Glycine 0 N--CA 1.443 -0.899 0 CA-C-N 115.659 -0.7 . . . . 1.54 111.856 179.651 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.568 ' O ' ' HG2' ' A' ' 34' ' ' GLN . 82.7 t90 -51.14 -49.94 59.86 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 111.918 0.34 . . . . 1.18 111.918 -175.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.419 HD13 ' HA ' ' A' ' 31' ' ' ILE . 1.6 mm -56.16 -55.5 18.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 N-CA-C 112.3 0.481 . . . . 2.16 112.3 -177.737 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.451 ' O ' HG13 ' A' ' 36' ' ' ILE . 54.9 mmm -57.52 -39.36 76.4 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 121.136 -0.226 . . . . 0.97 111.324 179.255 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.501 ' HG3' ' O ' ' A' ' 29' ' ' GLY . 61.1 mtm-85 -65.64 -26.38 67.79 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.815 -0.354 . . . . 1.87 110.628 179.23 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.568 ' HG2' ' O ' ' A' ' 30' ' ' TRP . 27.5 mm-40 -74.56 -26.43 59.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.078 0.466 . . . . 1.97 110.359 177.872 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.494 HG13 ' HE3' ' A' ' 64' ' ' LYS . 76.3 t -85.23 -65.17 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 120.942 0.401 . . . . 0.68 110.805 177.259 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.551 ' HA ' ' H9 ' ' A' 1001 ' ' OLA . 54.2 mt -47.62 -39.73 7.04 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.49 0 C-N-CA 124.003 0.921 . . . . 0.51 113.018 -178.007 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.432 ' HB2' ' O ' ' A' ' 33' ' ' ARG . 18.9 mtpp -72.64 -27.72 62.3 Favored 'General case' 0 N--CA 1.466 0.333 0 N-CA-C 112.388 0.514 . . . . 0.97 112.388 -179.003 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.553 HD23 ' O ' ' A' ' 34' ' ' GLN . 4.2 mm? -100.17 -1.57 36.25 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.839 0.352 . . . . 2.08 111.665 -173.022 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -84.13 115.6 22.48 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-O 120.876 0.37 . . . . 1.03 110.834 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.515 ' O ' ' HA ' ' A' ' 62' ' ' THR . . . -72.34 146.77 39.7 Favored Glycine 0 N--CA 1.447 -0.596 0 N-CA-C 110.802 -0.919 . . . . 0.84 110.802 174.859 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.794 ' HB ' HG22 ' A' ' 62' ' ' THR . 1.3 p -144.69 138.95 23.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-O 121.77 0.795 . . . . 1.3 112.365 -175.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 86.1 m -123.72 139.78 53.64 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 114.58 -1.191 . . . . 0.45 109.869 178.371 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.443 ' HE2' ' HE3' ' A' ' 127' ' ' MET . 40.6 mttp -117.65 135.0 54.29 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.916 0.389 . . . . 0.79 110.799 -179.631 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.444 ' HG2' ' OG1' ' A' ' 10' ' ' THR . 46.2 mtpt -132.28 120.13 21.73 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.179 -0.464 . . . . 1.96 110.823 -172.33 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.568 ' HB3' HD23 ' A' ' 8' ' ' LEU . 45.7 m-85 -113.14 133.98 54.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.307 -0.406 . . . . 0.54 110.635 -179.727 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.486 ' HG3' ' O ' ' A' ' 47' ' ' ASN . 6.9 ptp180 -156.08 166.01 34.73 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.691 0.281 . . . . 3.17 110.626 178.291 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.486 ' O ' ' HG3' ' A' ' 46' ' ' ARG . 54.0 m-80 -65.65 153.1 42.58 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 108.462 -0.94 . . . . 1.85 108.462 170.161 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.479 ' N ' ' HA ' ' A' ' 56' ' ' TYR . . . -47.96 133.73 14.31 Favored 'General case' 0 CA--C 1.515 -0.376 0 CA-C-O 121.656 0.741 . . . . 0.87 111.918 -173.176 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.47 -39.47 83.79 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 114.039 -1.437 . . . . 1.48 111.859 -173.224 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 50.8 m -79.43 12.15 2.61 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 112.211 0.449 . . . . 2.37 112.211 178.434 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 68.34 29.96 73.3 Favored Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 121.06 -0.591 . . . . 1.91 113.878 176.35 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.538 ' HD2' ' OD1' ' A' ' 71' ' ' ASP . 91.6 mttt -84.83 120.0 73.33 Favored Pre-proline 0 C--N 1.325 -0.491 0 CA-C-N 116.975 0.387 . . . . 3.17 110.077 177.018 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.459 ' O ' ' HB2' ' A' ' 54' ' ' ASP . 75.2 Cg_exo -55.26 142.71 78.29 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.963 2.442 . . . . 1.84 112.587 177.862 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.459 ' HB2' ' O ' ' A' ' 53' ' ' PRO . 48.6 m-20 84.22 -53.75 0.12 Allowed 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 114.932 -1.031 . . . . 2.44 110.199 176.735 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.44 ' HG2' ' HB2' ' A' ' 73' ' ' ALA . 74.5 mtt180 -66.13 152.78 44.02 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 112.744 0.646 . . . . 4.1 112.744 178.267 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.742 ' OH ' ' HA ' ' A' ' 2' ' ' THR . 28.6 m-85 -129.1 178.65 6.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.245 -0.888 . . . . 0.97 110.505 -178.562 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -131.54 135.72 47.27 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.377 -0.829 . . . . 1.1 108.877 174.691 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 8.0 tpt -138.51 131.83 30.25 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.508 0.194 . . . . 0.98 110.577 -176.327 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -127.09 146.26 50.44 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.267 0.556 . . . . 1.11 112.121 -175.773 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.478 ' HB2' ' OG1' ' A' ' 67' ' ' THR . 37.7 m-80 -123.75 101.58 7.36 Favored 'General case' 0 CA--C 1.515 -0.392 0 N-CA-C 108.353 -0.98 . . . . 1.17 108.353 172.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.54 ' O ' ' HA ' ' A' ' 41' ' ' VAL . 75.3 mt -97.12 112.5 24.25 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.86 -0.609 . . . . 1.67 110.903 -176.558 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.794 HG22 ' HB ' ' A' ' 41' ' ' VAL . 12.9 p -120.94 -170.7 2.05 Favored 'General case' 0 N--CA 1.445 -0.72 0 N-CA-C 109.243 -0.651 . . . . 0.45 109.243 178.498 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 43.0 p -90.15 -25.84 20.48 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-O 120.956 0.408 . . . . 0.54 111.038 -177.738 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.494 ' HE3' HG13 ' A' ' 35' ' ' VAL . 74.5 mmtt -104.11 -25.13 13.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 2.24 111.689 -172.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.432 ' HG2' ' O ' ' A' ' 82' ' ' ALA . 26.8 tptp -157.3 134.04 10.03 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.975 0.417 . . . . 1.82 110.751 178.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -106.23 134.65 49.03 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 109.445 -0.576 . . . . 2.12 109.445 175.173 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.48 HG22 ' O ' ' A' ' 81' ' ' GLU . 69.0 p -115.93 151.42 35.4 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 109.494 -0.558 . . . . 0.56 109.494 177.74 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 9.8 t-160 -145.05 96.72 2.9 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 109.625 -0.509 . . . . 1.95 109.625 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 6.5 m-70 -72.27 88.08 1.15 Allowed 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.603 -0.726 . . . . 0.39 109.092 178.137 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 84.5 mttt -77.65 117.83 19.44 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.263 -0.881 . . . . 2.3 112.409 -176.788 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.538 ' OD1' ' HD2' ' A' ' 52' ' ' LYS . 11.9 t70 61.75 60.18 1.64 Allowed 'General case' 0 C--O 1.235 0.336 0 O-C-N 123.809 0.693 . . . . 2.07 111.603 165.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 67.2 p-90 -108.2 145.62 33.97 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.399 -0.364 . . . . 0.43 110.513 -178.388 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.635 ' O ' ' HB2' ' A' ' 76' ' ' GLU . . . -106.04 143.76 33.71 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 110.159 -0.312 . . . . 0.55 110.159 176.603 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.568 HD11 HD23 ' A' ' 94' ' ' LEU . 4.7 tt -59.79 120.97 10.56 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.595 -0.52 . . . . 1.71 109.595 171.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 96.07 10.83 55.79 Favored Glycine 0 N--CA 1.45 -0.422 0 CA-C-N 115.84 -0.618 . . . . 0.59 112.284 -173.637 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.635 ' HB2' ' O ' ' A' ' 73' ' ' ALA . 7.6 mm-40 -110.06 160.01 16.82 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.266 0.555 . . . . 2.37 111.278 -177.87 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.455 ' OE2' ' HD2' ' A' ' 89' ' ' LYS . 30.9 tt0 -131.48 110.1 10.76 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 114.882 -1.054 . . . . 1.4 108.804 -175.677 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 46.4 p90 -130.23 161.13 31.88 Favored 'General case' 0 C--N 1.319 -0.717 0 CA-C-N 116.178 -0.464 . . . . 0.57 110.711 -170.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 -92.99 153.0 18.99 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.364 0.602 . . . . 1.95 110.738 174.719 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.501 ' HB3' HD12 ' A' ' 90' ' ' ILE . 8.9 t70 -154.71 153.94 32.09 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.374 -0.83 . . . . 1.26 110.434 -174.074 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.48 ' O ' HG22 ' A' ' 67' ' ' THR . 7.0 pt-20 -88.18 87.41 7.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.925 0.869 . . . . 2.13 108.991 178.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.432 ' O ' ' HG2' ' A' ' 65' ' ' LYS . . . -78.64 171.67 14.8 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 114.423 -1.262 . . . . 0.95 113.514 -161.714 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 91.1 mt -55.0 -30.68 59.99 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 115.81 -0.632 . . . . 1.34 111.289 -178.364 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.468 ' HA ' H141 ' A' 1001 ' ' OLA . 5.9 p-10 -76.96 21.1 0.22 Allowed 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.536 -0.757 . . . . 1.55 111.931 -178.043 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 16.1 m 77.62 -46.18 0.46 Allowed 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 123.904 0.882 . . . . 1.21 111.794 171.008 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 3.2 p -78.67 164.39 24.65 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 120.737 0.303 . . . . 0.93 110.365 176.271 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -110.42 141.84 42.95 Favored 'General case' 0 N--CA 1.44 -0.96 0 N-CA-C 109.384 -0.598 . . . . 1.88 109.384 177.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . 0.631 ' CB ' ' HA ' ' A' ' 106' ' ' LYS . 16.8 p80 -157.22 -176.12 5.79 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 116.249 -0.432 . . . . 1.04 111.879 -174.646 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.455 ' HD2' ' OE2' ' A' ' 77' ' ' GLU . 39.0 ttpt -73.1 142.9 47.54 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.092 -0.958 . . . . 1.49 111.048 -177.155 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.501 HD12 ' HB3' ' A' ' 80' ' ' ASP . 63.0 mt -145.63 128.85 10.48 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 115.474 -0.784 . . . . 0.54 110.063 177.52 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 2.2 m -109.57 139.86 44.07 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 120.833 0.349 . . . . 0.43 110.788 178.09 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.426 ' CD2' HD21 ' A' ' 100' ' ' LEU . 5.0 m-85 -116.9 128.29 55.09 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.099 -0.5 . . . . 0.6 109.671 175.139 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -159.92 151.7 20.19 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.97 -0.382 . . . . 1.69 109.97 -176.496 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.568 HD23 HD11 ' A' ' 74' ' ' LEU . 1.3 mm? -97.03 121.23 38.68 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 109.85 -0.426 . . . . 1.12 109.85 179.502 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 46.1 tptt -81.77 -48.13 12.02 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.883 -0.784 . . . . 3.03 108.883 -176.583 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -140.03 165.82 28.04 Favored Pre-proline 0 C--N 1.323 -0.563 0 N-CA-C 107.513 -1.291 . . . . 1.79 107.513 176.083 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 26.0 Cg_exo -64.56 2.33 1.3 Allowed 'Trans proline' 0 C--N 1.349 0.558 0 C-N-CA 122.958 2.439 . . . . 0.98 113.55 -173.705 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 74.2 m-20 -139.93 23.07 2.44 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.315 -0.402 . . . . 2.32 110.468 178.43 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.517 ' HA ' ' O ' ' A' ' 118' ' ' TYR . 85.6 m -151.03 108.59 3.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.229 0.538 . . . . 0.56 111.748 -179.077 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.566 ' HB3' ' HB2' ' A' ' 118' ' ' TYR . 6.4 tt -90.51 137.28 32.48 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.38 -0.97 . . . . 1.1 108.38 175.331 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.564 ' N ' HD23 ' A' ' 100' ' ' LEU . 3.6 p -114.36 126.48 55.04 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 120.854 0.359 . . . . 0.41 110.967 178.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.406 ' HG3' ' CE1' ' A' ' 92' ' ' PHE . 49.4 tt0 -115.86 109.43 17.62 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.856 -0.611 . . . . 1.31 109.765 178.349 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . 0.426 ' O ' ' HA ' ' A' ' 90' ' ' ILE . 7.6 m -98.35 110.14 22.78 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.372 -0.376 . . . . 0.51 110.761 -175.752 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 29.0 m-70 -93.14 100.22 12.65 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.284 -0.417 . . . . 1.69 110.258 -179.408 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.589 ' HA ' HG12 ' A' ' 113' ' ' VAL . 30.0 mt -108.49 118.19 55.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 121.458 0.647 . . . . 0.75 111.723 179.718 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.631 ' HA ' ' CB ' ' A' ' 88' ' ' HIS . 46.5 mtpt -69.93 124.73 24.78 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.438 -0.801 . . . . 1.61 112.305 179.54 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.491 HG23 ' HA ' ' A' ' 88' ' ' HIS . 93.9 t -63.65 -30.91 51.12 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.725 0 CA-C-N 114.547 -1.206 . . . . 1.32 109.891 173.254 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -70.35 -45.58 65.84 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 114.709 -1.132 . . . . 2.5 110.399 179.549 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.514 ' O ' ' HB2' ' A' ' 106' ' ' LYS . 4.3 p-10 -158.7 107.02 1.62 Allowed Pre-proline 0 N--CA 1.453 -0.293 0 CA-C-O 121.698 0.761 . . . . 2.39 110.647 177.408 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.413 ' HD2' ' HA ' ' A' ' 109' ' ' ASP . 70.1 Cg_endo -73.16 11.15 0.98 Allowed 'Trans proline' 0 CA--C 1.529 0.246 0 C-N-CA 123.527 2.818 . . . . 0.9 112.822 -179.689 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 39.2 p -90.92 -16.86 27.39 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.992 -0.549 . . . . 1.47 111.244 178.079 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -114.46 39.45 2.79 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.952 0.882 . . . . 1.59 109.866 -176.15 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.589 HG12 ' HA ' ' A' ' 105' ' ' ILE . 19.3 m -85.22 178.53 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 115.361 -0.836 . . . . 1.6 111.484 -175.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.498 ' HB2' ' NH1' ' A' ' 26' ' ' ARG . 8.7 tp10 -161.36 153.37 19.65 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.336 -0.393 . . . . 2.78 110.316 177.007 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 30.4 m -123.9 120.02 31.32 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.883 -0.599 . . . . 0.53 109.965 179.21 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 17.9 m-30 -95.23 146.94 23.98 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 107.788 -1.19 . . . . 0.96 107.788 176.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . 0.421 ' HB2' ' NH1' ' A' ' 119' ' ' ARG . 36.2 mt-10 -129.16 123.0 30.99 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.867 -0.79 . . . . 1.27 108.867 -178.407 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . 0.566 ' HB2' ' HB3' ' A' ' 100' ' ' LEU . 2.2 m-85 -98.44 122.12 41.23 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.378 -0.373 . . . . 0.6 110.755 -175.788 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . 0.421 ' NH1' ' HB2' ' A' ' 117' ' ' GLU . 0.0 OUTLIER -131.96 151.3 51.81 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 120.786 0.327 . . . . 3.41 110.375 173.033 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . 0.412 ' HD3' ' O ' ' A' ' 6' ' ' LYS . 9.0 tpt180 -101.31 105.86 16.98 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.34 -0.391 . . . . 1.96 110.449 -177.007 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -95.21 91.98 6.55 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.593 -0.521 . . . . 1.08 109.593 177.169 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 69.38 -100.15 0.71 Allowed Glycine 0 N--CA 1.446 -0.639 0 N-CA-C 111.124 -0.791 . . . . 0.92 111.124 -175.659 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -122.5 12.21 10.02 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.797 0.332 . . . . 2.31 111.003 176.151 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 92.7 m-85 -105.86 134.9 48.25 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.337 -0.392 . . . . 0.67 110.319 175.741 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -85.58 117.73 24.66 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 107.632 -1.247 . . . . 1.03 107.632 173.723 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 43.9 t -112.95 123.79 68.95 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.918 0 CA-C-O 121.39 0.614 . . . . 0.47 109.666 -174.56 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' MET . . . . . 0.525 ' HB3' ' HB3' ' A' ' 138' ' ' ARG . 20.7 ttm -105.19 140.42 38.38 Favored 'General case' 0 C--N 1.312 -1.024 0 CA-C-N 115.071 -0.968 . . . . 1.08 110.136 -179.786 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 38.8 tttm -112.47 126.21 55.07 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-N 115.851 -0.613 . . . . 2.2 109.386 176.768 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 49.4 mtp -124.62 119.81 30.09 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 107.985 -1.117 . . . . 1.11 107.985 177.083 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . 0.518 ' HB3' ' HB3' ' A' ' 135' ' ' SER . 2.7 p -141.02 125.57 17.77 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 120.995 0.426 . . . . 1.06 112.138 -172.58 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' TRP . . . . . . . . . . . . . 70.1 t-105 -139.26 128.06 23.41 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.575 -0.739 . . . . 0.76 110.236 -178.157 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 53.9 mtmt 47.2 48.24 16.07 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 115.746 -0.661 . . . . 1.96 112.3 -176.724 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 86.77 -36.15 3.3 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.996 -0.621 . . . . 0.53 113.435 177.558 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 20.0 t -74.16 111.17 9.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 121.146 0.498 . . . . 0.43 110.204 -176.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . 0.518 ' HB3' ' HB3' ' A' ' 130' ' ' SER . 0.1 OUTLIER -111.09 143.44 41.81 Favored 'General case' 0 N--CA 1.443 -0.778 0 CA-C-N 115.771 -0.65 . . . . 1.14 111.745 -177.36 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 8.2 t -129.89 140.09 51.03 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.771 -0.649 . . . . 0.4 110.191 175.637 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 6.9 m -102.92 118.79 37.6 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.153 0.502 . . . . 0.79 109.87 177.714 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . 0.525 ' HB3' ' HB3' ' A' ' 127' ' ' MET . 4.5 tpt180 -96.84 110.65 23.1 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.463 -0.79 . . . . 1.84 108.921 -179.505 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 99.2 m-85 -96.37 111.91 23.83 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.987 0.422 . . . . 0.64 111.811 -172.458 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 140' ' ' TYR . . . . . 0.45 ' HB3' ' HB3' ' A' ' 11' ' ' PHE . 55.6 m-85 -107.23 136.68 46.64 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.696 -0.683 . . . . 0.6 110.619 177.597 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 8.2 ptpt -112.21 163.19 14.64 Favored 'General case' 0 C--O 1.21 -0.983 0 N-CA-C 108.053 -1.092 . . . . 1.92 108.053 173.092 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . 0.56 ' HD2' ' O ' ' A' ' 10' ' ' THR . 29.0 tptp -45.24 159.13 0.06 Allowed 'General case' 0 CA--C 1.547 0.846 0 CA-C-O 121.196 0.522 . . . . 2.13 111.708 173.109 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . 0.462 HE21 ' HB3' ' A' ' 12' ' ' LYS . 4.1 mt-30 . . . . . 0 C--O 1.247 0.923 0 O-C-N 120.815 -1.178 . . . . 1.46 109.946 159.136 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1001 ' ' OLA . . . . . 0.862 H182 ' H41' ' A' 1001 ' ' OLA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' -11' ' ' MET . . . . . . . . . . . . . 23.6 mmt . . . . . 0 N--CA 1.481 1.116 0 CA-C-O 120.603 0.239 . . . . 14.47 110.812 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' -10' ' ' ARG . . . . . . . . . . . . . 78.8 mtt180 -117.09 -65.65 1.16 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.753 0.311 . . . . 15.82 110.713 -179.687 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' -9' ' ' GLY . . . . . . . . . . . . . . . -171.35 114.13 0.52 Allowed Glycine 0 N--CA 1.446 -0.662 0 C-N-CA 121.001 -0.618 . . . . 11.88 111.857 179.778 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' -8' ' ' SER . . . . . . . . . . . . . 11.5 t -80.65 82.85 6.56 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.244 0.545 . . . . 11.68 110.154 -178.73 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' -7' ' ' HIS . . . . . . . . . . . . . 65.0 m-70 -67.04 -76.13 0.09 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.772 -0.649 . . . . 11.79 110.148 178.102 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' -6' ' ' HIS . . . . . . . . . . . . . 8.9 t-160 -118.84 -16.92 9.24 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 120.83 -0.348 . . . . 10.98 110.396 176.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' -5' ' ' HIS . . . . . . . . . . . . . 91.7 m-70 -78.88 72.6 5.41 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.604 -0.517 . . . . 9.31 109.604 176.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' -4' ' ' HIS . . . . . . . . . . . . . 37.7 m80 -83.71 -44.76 14.14 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.978 -0.555 . . . . 10.54 110.964 -175.761 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' -3' ' ' HIS . . . . . 0.401 ' O ' ' HA3' ' A' ' 75' ' ' GLY . 76.7 m-70 -135.67 54.73 1.9 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.392 -0.367 . . . . 8.73 111.401 -177.905 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 20.0 t-80 -106.17 30.82 5.59 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 120.105 -0.638 . . . . 7.06 110.734 -179.483 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -85.27 60.46 4.75 Favored Glycine 0 N--CA 1.449 -0.451 0 N-CA-C 110.964 -0.855 . . . . 3.5 110.964 172.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 20.6 m -122.32 -178.16 3.81 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.553 0.692 . . . . 3.11 111.407 -174.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 7.2 ptmt -126.38 -163.67 1.25 Allowed 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 114.839 -1.073 . . . . 2.99 110.25 176.63 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.431 ' O ' ' HD3' ' A' ' 4' ' ' PRO . 25.5 m -66.84 147.43 53.26 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 115.818 -0.628 . . . . 0.99 109.8 174.017 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.523 HD12 HD21 ' A' ' 8' ' ' LEU . 2.4 tm? -72.73 111.02 9.62 Favored Pre-proline 0 C--N 1.325 -0.459 0 N-CA-C 109.145 -0.687 . . . . 0.59 109.145 177.132 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.431 ' HD3' ' O ' ' A' ' 2' ' ' THR . 53.3 Cg_exo -54.31 123.56 13.89 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.641 2.227 . . . . 0.61 112.04 -179.881 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.519 ' HA ' HD12 ' A' ' 8' ' ' LEU . 23.2 m-20 -53.22 -22.33 6.61 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.278 -0.874 . . . . 2.19 112.735 -175.257 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 7.7 ptpp? -58.39 -27.71 64.52 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 111.72 0.267 . . . . 2.53 111.72 178.352 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 50.9 m-85 -85.03 -8.7 58.59 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.688 0.28 . . . . 0.6 110.744 -178.755 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.711 HD23 ' HB3' ' A' ' 45' ' ' PHE . 83.0 mt -99.27 145.17 27.58 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-O 121.145 0.498 . . . . 0.46 111.494 -169.491 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 138.01 -178.52 19.13 Favored Glycine 0 N--CA 1.446 -0.664 0 CA-C-N 115.522 -0.763 . . . . 0.52 111.954 -177.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.402 HG23 ' HG2' ' A' ' 44' ' ' LYS . 6.1 m -109.96 125.34 52.76 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.646 -0.501 . . . . 1.05 109.646 177.372 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.445 ' HA ' ' HA ' ' A' ' 142' ' ' LYS . 49.2 m-85 -124.36 137.56 54.46 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 111.657 0.243 . . . . 0.47 111.657 -175.016 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.713 ' HB3' ' NE2' ' A' ' 143' ' ' GLN . 15.1 ptmm? -103.78 132.03 50.42 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-O 120.994 0.425 . . . . 2.19 110.436 170.553 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.1 tt -49.73 123.65 8.28 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 115.845 -0.616 . . . . 1.14 111.059 -179.602 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -90.02 -55.13 3.74 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 116.43 -0.35 . . . . 2.08 110.622 179.541 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.404 HH11 ' HD3' ' A' ' 15' ' ' ARG . 13.5 ptt-85 -159.89 177.54 10.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.351 -0.386 . . . . 3.36 110.091 -178.246 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -135.88 172.43 13.03 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.744 0.307 . . . . 1.19 110.716 -178.515 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -155.4 110.3 2.98 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.06 -0.518 . . . . 2.66 110.468 -179.34 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 65.5 t30 72.03 20.08 4.45 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-O 121.765 0.793 . . . . 0.76 110.928 175.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 63.2 t80 -73.67 -39.1 64.68 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.446 -0.797 . . . . 0.49 110.991 -175.07 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.539 ' OD1' ' HE3' ' A' ' 24' ' ' LYS . 26.2 t70 -58.26 -51.45 69.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.555 -0.293 . . . . 2.04 110.998 178.092 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -53.48 -42.9 67.73 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 116.178 -0.464 . . . . 1.79 110.987 177.102 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 90.8 t80 -59.29 -40.07 85.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.829 -0.623 . . . . 0.57 111.005 177.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 77.1 mt -63.43 -40.37 96.99 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.827 0.346 . . . . 0.37 110.455 -178.627 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.539 ' HE3' ' OD1' ' A' ' 20' ' ' ASP . 94.0 mttt -60.79 -47.73 85.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.025 -0.534 . . . . 1.88 110.008 178.662 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.17 -36.14 72.6 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.067 -0.97 . . . . 0.44 110.856 178.697 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 14.1 mmm180 -73.95 -8.01 54.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.024 -0.535 . . . . 1.29 111.824 -179.688 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 111.11 -6.68 28.93 Favored Glycine 0 N--CA 1.446 -0.67 0 C-N-CA 120.784 -0.722 . . . . 0.62 112.308 176.263 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.455 ' HB3' ' HB2' ' A' ' 32' ' ' MET . 36.7 m-85 -79.15 99.46 6.99 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.038 0.447 . . . . 0.64 109.86 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -68.12 -55.28 13.7 Favored Glycine 0 N--CA 1.45 -0.371 0 CA-C-N 115.685 -0.689 . . . . 1.54 113.397 -173.253 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.463 ' O ' ' HG2' ' A' ' 34' ' ' GLN . 83.2 t90 -154.93 -54.53 0.09 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.996 0.398 . . . . 1.18 111.169 -177.642 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.443 HD13 ' HA ' ' A' ' 31' ' ' ILE . 1.6 mm -53.19 -55.2 13.58 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.239 0 CA-C-N 116.53 -0.305 . . . . 2.16 111.813 -177.831 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.48 ' O ' HG13 ' A' ' 36' ' ' ILE . 64.2 mmm -60.15 -36.6 77.91 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.416 -0.356 . . . . 0.97 111.16 179.805 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.458 ' HD2' ' OD2' ' A' ' 20' ' ' ASP . 47.1 mtm105 -63.26 -30.84 71.9 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.929 -0.309 . . . . 1.87 110.662 177.871 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.509 ' O ' HD23 ' A' ' 38' ' ' LEU . 29.6 mm-40 -68.68 -30.79 69.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.123 0.487 . . . . 1.97 110.375 178.254 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.505 ' CG1' ' HG3' ' A' ' 64' ' ' LYS . 95.2 t -86.92 -65.28 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.208 -0.451 . . . . 0.68 111.548 179.564 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.48 HG13 ' O ' ' A' ' 32' ' ' MET . 61.0 mt -44.47 -44.02 2.34 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.501 0 N-CA-C 113.881 1.067 . . . . 0.51 113.881 -177.487 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 51.6 mtmt -74.63 -28.42 60.87 Favored 'General case' 0 N--CA 1.466 0.33 0 N-CA-C 111.97 0.359 . . . . 0.97 111.97 -176.596 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.509 HD23 ' O ' ' A' ' 34' ' ' GLN . 4.4 mm? -89.82 -11.95 40.57 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.035 0.445 . . . . 2.08 110.541 -174.81 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -78.1 113.62 16.2 Favored 'General case' 0 N--CA 1.445 -0.687 0 CA-C-N 115.633 -0.712 . . . . 1.03 110.65 178.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.654 ' O ' ' HA ' ' A' ' 62' ' ' THR . . . -68.1 141.02 36.94 Favored Glycine 0 N--CA 1.448 -0.515 0 N-CA-C 110.849 -0.9 . . . . 0.84 110.849 175.884 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.551 HG21 HH12 ' A' ' 138' ' ' ARG . 41.3 t -124.09 123.63 67.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-O 121.131 0.491 . . . . 1.3 111.202 -174.152 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 29.5 m -110.33 115.44 29.68 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.762 -0.653 . . . . 0.45 110.008 176.121 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.559 ' HZ1' ' C1 ' ' A' 1001 ' ' OLA . 74.2 mmtt -87.99 133.41 33.96 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.33 -0.395 . . . . 0.79 110.137 179.374 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.559 ' O ' ' HA ' ' A' ' 58' ' ' MET . 65.8 mttm -123.2 116.01 22.7 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.511 -0.313 . . . . 1.96 110.281 177.793 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.711 ' HB3' HD23 ' A' ' 8' ' ' LEU . 70.2 m-85 -120.6 138.99 53.61 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 109.951 -0.389 . . . . 0.54 109.951 175.766 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.454 ' O ' ' HB3' ' A' ' 56' ' ' TYR . 19.0 ptt180 -171.25 172.85 5.12 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.835 0.35 . . . . 3.17 110.902 -175.685 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 19.0 m120 -65.31 161.96 18.48 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 108.398 -0.964 . . . . 1.85 108.398 168.071 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.576 ' HA ' ' HB2' ' A' ' 57' ' ' ASP . . . -53.4 129.62 32.65 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-O 121.71 0.767 . . . . 0.87 111.476 -175.122 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.404 ' H ' ' HB2' ' A' ' 57' ' ' ASP . . . -68.43 -40.43 81.2 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 114.473 -1.24 . . . . 1.48 112.131 -169.594 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 17.1 t -81.71 16.78 1.66 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.005 0.431 . . . . 2.37 110.955 179.301 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 73.05 22.43 79.07 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.945 -0.645 . . . . 1.91 113.036 177.287 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.441 ' O ' ' HB3' ' A' ' 48' ' ' ALA . 13.9 tppt? -71.26 122.37 86.88 Favored Pre-proline 0 N--CA 1.443 -0.781 0 N-CA-C 109.756 -0.461 . . . . 3.17 109.756 176.237 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.587 ' O ' ' HB3' ' A' ' 54' ' ' ASP . 74.0 Cg_endo -72.67 142.95 36.82 Favored 'Trans proline' 0 C--O 1.237 0.458 0 C-N-CA 122.031 1.821 . . . . 1.84 112.08 -179.244 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.587 ' HB3' ' O ' ' A' ' 53' ' ' PRO . 9.9 t70 86.55 -56.34 0.06 Allowed 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 124.049 0.94 . . . . 2.44 109.781 176.866 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.466 ' HD3' ' HB3' ' A' ' 71' ' ' ASP . 58.7 mtt180 -67.52 155.83 38.13 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-O 121.847 0.832 . . . . 4.1 112.885 177.088 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.454 ' HB3' ' O ' ' A' ' 46' ' ' ARG . 30.9 m-85 -120.1 176.08 5.61 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 114.736 -1.12 . . . . 0.97 109.057 179.777 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.576 ' HB2' ' HA ' ' A' ' 48' ' ' ALA . 13.7 t70 -133.02 145.06 50.5 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 110.085 -0.339 . . . . 1.1 110.085 -177.159 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.559 ' HA ' ' O ' ' A' ' 44' ' ' LYS . 1.6 tmt? -147.24 139.84 24.82 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.554 -0.294 . . . . 0.98 110.401 -175.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.466 ' HG2' ' HA ' ' A' ' 68' ' ' HIS . 32.7 mt-10 -135.76 157.4 46.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.332 0.586 . . . . 1.11 112.456 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.442 ' HB2' ' OG1' ' A' ' 67' ' ' THR . 36.7 m-80 -131.09 108.92 10.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 114.84 -1.073 . . . . 1.17 109.64 175.073 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 75.2 mt -103.02 127.78 50.13 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.573 -0.285 . . . . 1.67 110.323 177.365 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.654 ' HA ' ' O ' ' A' ' 40' ' ' GLY . 58.8 p -133.31 -169.27 2.24 Favored 'General case' 0 N--CA 1.445 -0.689 0 N-CA-C 109.624 -0.51 . . . . 0.45 109.624 -179.101 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 71.7 p -90.79 -19.98 22.87 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-O 121.054 0.454 . . . . 0.54 111.303 -179.086 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.505 ' HG3' ' CG1' ' A' ' 35' ' ' VAL . 32.8 mmmt -115.32 -20.57 10.27 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.251 -0.431 . . . . 2.24 111.402 -175.56 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.493 ' HB3' ' H ' ' A' ' 66' ' ' ASP . 29.7 mmmt -131.3 -156.21 0.74 Allowed 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.149 0.499 . . . . 1.82 111.266 -174.882 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.493 ' H ' ' HB3' ' A' ' 65' ' ' LYS . 5.0 p-10 162.04 120.47 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 114.249 -1.341 . . . . 2.12 107.767 -173.046 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.442 ' OG1' ' HB2' ' A' ' 60' ' ' ASN . 69.9 p -137.23 145.43 43.6 Favored 'General case' 0 C--N 1.313 -1.02 0 CA-C-N 115.901 -0.59 . . . . 0.56 109.815 -174.857 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.466 ' HA ' ' HG2' ' A' ' 59' ' ' GLU . 4.7 t-160 -132.55 93.46 3.24 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.927 0.394 . . . . 1.95 110.062 -177.722 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 8.0 m-70 -73.78 84.03 1.65 Allowed 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.928 -0.767 . . . . 0.39 108.928 175.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.409 ' HA ' ' OD2' ' A' ' 57' ' ' ASP . 15.2 ptpt -84.45 121.71 27.95 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 112.472 0.545 . . . . 2.3 112.472 -174.337 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.466 ' HB3' ' HD3' ' A' ' 55' ' ' ARG . 53.2 m-20 66.02 79.65 0.24 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 114.848 -1.069 . . . . 2.07 111.862 170.096 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' TRP . . . . . 0.484 ' HB3' ' CE1' ' A' ' 78' ' ' PHE . 43.7 p-90 -120.96 140.71 51.5 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.352 -0.386 . . . . 0.43 110.92 174.634 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.454 ' O ' ' HB3' ' A' ' 76' ' ' GLU . . . -106.98 153.61 22.31 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.113 -0.699 . . . . 0.55 109.113 172.151 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.444 HD11 ' HB2' ' A' ' 3' ' ' LEU . 4.6 mp -56.36 136.36 53.58 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.348 0.595 . . . . 1.71 111.594 173.545 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.401 ' HA3' ' O ' ' A' ' -3' ' ' HIS . . . 72.56 15.07 77.52 Favored Glycine 0 N--CA 1.447 -0.592 0 CA-C-N 114.823 -1.081 . . . . 0.59 112.493 -177.292 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.454 ' HB3' ' O ' ' A' ' 73' ' ' ALA . 35.2 tt0 -107.77 127.32 53.6 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.471 0.653 . . . . 2.37 111.428 -177.72 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -97.49 122.43 40.55 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 114.802 -1.09 . . . . 1.4 109.49 174.162 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.484 ' CE1' ' HB3' ' A' ' 72' ' ' TRP . 37.2 p90 -132.48 158.81 41.12 Favored 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 109.475 -0.565 . . . . 0.57 109.475 -179.433 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 32.9 tt0 -90.53 140.63 29.55 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 109.4 -0.592 . . . . 1.95 109.4 177.458 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.582 ' HB3' HD12 ' A' ' 90' ' ' ILE . 5.5 t70 -168.58 164.78 12.41 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.708 -0.478 . . . . 1.26 109.708 -175.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.53 ' HA ' ' HA ' ' A' ' 87' ' ' GLN . 35.2 tt0 -97.14 118.17 32.97 Favored 'General case' 0 CA--C 1.514 -0.437 0 N-CA-C 109.52 -0.548 . . . . 2.13 109.52 178.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.466 ' HB3' ' OD1' ' A' ' 84' ' ' ASP . . . -94.82 -179.32 4.81 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-N 115.193 -0.912 . . . . 0.95 111.883 -178.143 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.52 ' O ' H132 ' A' 1001 ' ' OLA . 3.5 mm? -55.28 -26.85 42.7 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 111.704 0.261 . . . . 1.34 111.704 -177.106 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.539 ' HA ' H131 ' A' 1001 ' ' OLA . 17.0 p-10 -78.37 17.23 0.67 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.098 0.475 . . . . 1.55 111.987 -175.278 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.7 t 62.83 27.61 16.1 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.435 -0.802 . . . . 1.21 112.024 166.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 9.7 p -140.97 162.13 36.21 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 109.113 -0.699 . . . . 0.93 109.113 173.693 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.53 ' HA ' ' HA ' ' A' ' 81' ' ' GLU . 2.5 pt20 -110.58 128.52 55.69 Favored 'General case' 0 CA--C 1.504 -0.823 0 CA-C-O 121.558 0.694 . . . . 1.88 109.592 178.555 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . 0.851 ' HA ' HG23 ' A' ' 107' ' ' VAL . 2.5 p80 -152.85 179.48 8.62 Favored 'General case' 0 C--N 1.308 -1.219 0 CA-C-N 114.915 -1.039 . . . . 1.04 109.927 -172.674 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.53 136.75 47.65 Favored 'General case' 0 C--O 1.236 0.382 0 C-N-CA 120.501 -0.48 . . . . 1.49 109.997 -177.173 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.582 HD12 ' HB3' ' A' ' 80' ' ' ASP . 50.4 mt -134.11 126.76 50.36 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.928 0 CA-C-N 115.415 -0.811 . . . . 0.54 110.24 -178.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 18.6 m -112.92 128.08 56.38 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-N 116.141 -0.481 . . . . 0.43 110.697 178.66 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -103.79 122.83 45.92 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 108.504 -0.925 . . . . 0.6 108.504 172.397 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 20.6 t0 -156.62 156.02 32.81 Favored 'General case' 0 C--N 1.316 -0.887 0 N-CA-C 108.977 -0.749 . . . . 1.69 108.977 -172.125 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 2.4 mp -100.85 134.94 43.07 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-O 121.256 0.551 . . . . 1.12 110.822 -178.635 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 53.4 tttp -94.4 -54.28 3.59 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.314 -0.857 . . . . 3.03 108.77 -178.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.443 ' C ' ' H ' ' A' ' 98' ' ' ASN . 7.4 m-20 -121.85 167.98 12.47 Favored Pre-proline 0 C--N 1.323 -0.578 0 N-CA-C 108.345 -0.983 . . . . 1.79 108.345 174.431 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 15.3 Cg_exo -70.97 14.65 0.33 Allowed 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.925 2.417 . . . . 0.98 112.175 179.059 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . 0.443 ' H ' ' C ' ' A' ' 96' ' ' ASP . 30.8 p30 -147.61 14.47 1.08 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.561 -0.745 . . . . 2.32 110.18 176.886 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.408 ' HA ' ' HA ' ' A' ' 119' ' ' ARG . 57.1 m -141.08 111.53 6.87 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-O 121.104 0.478 . . . . 0.56 112.123 -176.133 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.551 ' HB3' ' HB2' ' A' ' 118' ' ' TYR . 0.6 OUTLIER -82.84 155.98 23.87 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.862 -1.162 . . . . 1.1 107.862 171.664 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.588 HG22 ' HG2' ' A' ' 117' ' ' GLU . 15.0 p -134.59 135.27 42.11 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 118.672 0.669 . . . . 0.41 111.036 173.435 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.407 ' O ' ' HA ' ' A' ' 115' ' ' THR . 64.0 tt0 -115.4 106.12 13.62 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.566 -0.743 . . . . 1.31 109.463 177.041 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . 0.405 ' O ' ' HA ' ' A' ' 90' ' ' ILE . 52.2 m -104.89 119.64 39.5 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 109.973 -0.38 . . . . 0.51 109.973 -178.536 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . 0.636 ' HB2' ' CE1' ' A' ' 88' ' ' HIS . 29.2 p80 -120.78 117.94 28.73 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.454 -0.498 . . . . 1.69 111.348 179.634 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.726 ' O ' ' HB2' ' A' ' 88' ' ' HIS . 53.6 mt -119.5 132.12 70.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.449 -0.796 . . . . 0.75 110.62 -177.227 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.512 ' HG3' ' HB3' ' A' ' 112' ' ' ASP . 39.4 mmtm -55.93 119.87 6.52 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 115.702 -0.681 . . . . 1.61 112.748 -179.664 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.851 HG23 ' HA ' ' A' ' 88' ' ' HIS . 82.7 t -63.86 -39.43 85.41 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.554 0 CA-C-N 115.464 -0.789 . . . . 1.32 110.704 172.244 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -62.62 -36.94 84.4 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.039 -0.982 . . . . 2.5 110.751 -177.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.42 ' O ' ' HB2' ' A' ' 106' ' ' LYS . 29.6 t70 -169.99 101.23 0.45 Allowed Pre-proline 0 C--N 1.323 -0.58 0 CA-C-N 115.533 -0.758 . . . . 2.39 108.996 -176.719 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -71.47 24.8 0.23 Allowed 'Trans proline' 0 C--O 1.233 0.241 0 C-N-CA 123.928 3.085 . . . . 0.9 114.443 -169.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 81.2 p -78.41 -28.85 46.94 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 109.603 -0.517 . . . . 1.47 109.603 174.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . 0.512 ' HB3' ' HG3' ' A' ' 106' ' ' LYS . 35.8 t70 -91.99 109.51 20.85 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 116.053 -0.521 . . . . 1.59 110.047 175.432 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -131.35 125.97 57.76 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.113 0 CA-C-N 115.468 -0.787 . . . . 1.6 109.093 -178.508 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.575 ' HB3' ' CE1' ' A' ' 104' ' ' HIS . 37.1 tt0 -138.15 140.26 39.78 Favored 'General case' 0 C--N 1.316 -0.861 0 C-N-CA 120.71 -0.396 . . . . 2.78 110.68 -178.275 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . 0.407 ' HA ' ' O ' ' A' ' 102' ' ' GLU . 47.8 m -133.17 133.11 42.39 Favored 'General case' 0 N--CA 1.445 -0.681 0 CA-C-N 115.763 -0.653 . . . . 0.53 110.956 -174.873 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -106.36 158.41 16.9 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 107.241 -1.392 . . . . 0.96 107.241 171.674 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . 0.588 ' HG2' HG22 ' A' ' 101' ' ' THR . 31.0 mt-10 -129.97 111.29 12.39 Favored 'General case' 0 N--CA 1.443 -0.822 0 N-CA-C 107.695 -1.224 . . . . 1.27 107.695 -179.301 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . 0.551 ' HB2' ' HB3' ' A' ' 100' ' ' LEU . 95.9 m-85 -87.86 86.32 7.14 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.035 0.445 . . . . 0.6 110.056 -177.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . 0.408 ' HA ' ' HA ' ' A' ' 99' ' ' THR . 19.3 ttt85 -93.93 153.25 18.32 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.723 -0.671 . . . . 3.41 109.91 -179.833 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . 0.548 ' NH2' ' HA ' ' A' ' 123' ' ' ASP . 12.4 mmm180 -109.91 121.61 45.63 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-O 120.924 0.392 . . . . 1.96 111.581 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -122.15 100.77 7.14 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.819 -0.628 . . . . 1.08 109.766 176.065 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 69.54 -111.6 3.97 Favored Glycine 0 N--CA 1.443 -0.872 0 C-N-CA 120.686 -0.769 . . . . 0.92 111.269 -176.413 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . 0.548 ' HA ' ' NH2' ' A' ' 120' ' ' ARG . 38.0 t70 -112.74 4.2 16.94 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.301 0.572 . . . . 2.31 110.267 176.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 74.8 m-85 -100.16 140.74 33.97 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.107 -0.497 . . . . 0.67 110.735 -178.4 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.5 HD21 ' HB3' ' A' ' 118' ' ' TYR . 0.3 OUTLIER -87.22 123.36 32.15 Favored 'General case' 0 N--CA 1.445 -0.68 0 N-CA-C 107.671 -1.233 . . . . 1.03 107.671 173.004 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 77.4 t -111.8 113.15 43.37 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.052 0 CA-C-O 121.075 0.464 . . . . 0.47 109.912 -176.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' MET . . . . . 0.467 ' HE3' ' HE3' ' A' ' 43' ' ' LYS . 27.6 ttm -90.55 141.07 29.14 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-N 115.63 -0.714 . . . . 1.08 109.95 177.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 33.0 ttmt -134.25 136.28 43.5 Favored 'General case' 0 C--N 1.315 -0.896 0 N-CA-C 109.575 -0.528 . . . . 2.2 109.575 174.507 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 2.5 ptm -146.74 135.77 22.48 Favored 'General case' 0 C--N 1.313 -1.004 0 N-CA-C 108.766 -0.827 . . . . 1.11 108.766 -179.292 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . 0.492 ' HA ' ' O ' ' A' ' 134' ' ' VAL . 6.2 p -131.4 136.93 48.43 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.977 0.418 . . . . 1.06 111.944 -172.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' TRP . . . . . 0.582 ' CD1' ' HG2' ' A' ' 132' ' ' LYS . 47.3 t-105 -151.07 131.66 13.91 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.77 -0.65 . . . . 0.76 110.116 176.079 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . 0.582 ' HG2' ' CD1' ' A' ' 131' ' ' TRP . 74.9 mmtt 53.29 37.37 25.11 Favored 'General case' 0 C--N 1.328 -0.355 0 O-C-N 123.746 0.654 . . . . 1.96 111.321 -178.248 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 85.72 -12.52 59.15 Favored Glycine 0 CA--C 1.519 0.34 0 C-N-CA 121.057 -0.592 . . . . 0.53 113.247 179.379 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . 0.492 ' O ' ' HA ' ' A' ' 130' ' ' SER . 4.8 t -83.93 105.51 13.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 117.03 0.415 . . . . 0.43 110.245 -178.55 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -101.22 128.4 47.36 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 116.108 -0.497 . . . . 1.14 110.745 176.183 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 3.1 t -123.44 136.37 54.57 Favored 'General case' 0 C--N 1.311 -1.081 0 CA-C-N 115.721 -0.672 . . . . 0.4 110.52 179.318 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . 0.45 ' HA ' ' O ' ' A' ' 127' ' ' MET . 16.6 m -108.1 111.03 22.86 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-N 116.064 -0.517 . . . . 0.79 109.715 175.321 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . 0.551 HH12 HG21 ' A' ' 41' ' ' VAL . 7.7 ttt180 -96.87 120.61 37.53 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 109.077 -0.712 . . . . 1.84 109.077 179.385 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 91.3 m-85 -93.51 111.02 22.6 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.166 0.508 . . . . 0.64 111.063 -172.055 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 140' ' ' TYR . . . . . 0.444 ' HB2' ' HB3' ' A' ' 125' ' ' LEU . 93.6 m-85 -103.78 121.77 43.72 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.519 -0.764 . . . . 0.6 110.384 178.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . 0.6 ' HD2' ' O ' ' A' ' 142' ' ' LYS . 5.0 tmmm? -101.76 152.99 20.21 Favored 'General case' 0 N--CA 1.436 -1.166 0 N-CA-C 107.423 -1.325 . . . . 1.92 107.423 179.424 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . 0.6 ' O ' ' HD2' ' A' ' 141' ' ' LYS . 80.9 tttt -50.89 166.23 0.09 Allowed 'General case' 0 CA--C 1.547 0.83 0 CA-C-O 121.719 0.771 . . . . 2.13 112.253 179.671 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . 0.713 ' NE2' ' HB3' ' A' ' 12' ' ' LYS . 53.5 mm-40 . . . . . 0 C--O 1.247 0.966 0 O-C-N 121.099 -1.001 . . . . 1.46 110.59 163.007 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1001 ' ' OLA . . . . . 0.66 H141 ' C10' ' A' 1001 ' ' OLA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' -11' ' ' MET . . . . . . . . . . . . . 1.5 mpt? . . . . . 0 N--CA 1.481 1.116 0 CA-C-O 120.809 0.337 . . . . 14.47 110.794 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' -10' ' ' ARG . . . . . 0.647 ' NE ' ' HA ' ' A' ' -10' ' ' ARG . 2.9 mmp_? -132.65 16.69 4.34 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.064 -0.516 . . . . 15.82 110.467 175.132 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' -9' ' ' GLY . . . . . . . . . . . . . . . 110.22 -159.03 14.11 Favored Glycine 0 N--CA 1.445 -0.707 0 C-N-CA 120.875 -0.679 . . . . 11.88 112.073 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' -8' ' ' SER . . . . . . . . . . . . . 66.7 m -156.25 156.43 34.07 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 110.16 -0.311 . . . . 11.68 110.16 178.762 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' -7' ' ' HIS . . . . . . . . . . . . . 20.3 m170 58.32 56.07 4.66 Favored 'General case' 0 C--N 1.33 -0.262 0 O-C-N 123.598 0.561 . . . . 11.79 112.347 176.505 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' -6' ' ' HIS . . . . . . . . . . . . . 48.8 m80 -90.3 -55.45 3.59 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 108.99 -0.745 . . . . 10.98 108.99 172.045 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' -5' ' ' HIS . . . . . . . . . . . . . 10.9 p-80 -175.77 -159.98 0.07 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 114.685 -1.143 . . . . 9.31 108.334 179.261 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' -4' ' ' HIS . . . . . . . . . . . . . 16.7 m80 -71.22 82.46 0.73 Allowed 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.371 0.605 . . . . 10.54 110.451 174.202 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' -3' ' ' HIS . . . . . . . . . . . . . 81.6 t60 -100.11 115.09 28.97 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.441 -0.8 . . . . 8.73 110.043 -179.338 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 54.0 m-70 -68.35 127.09 31.7 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.932 -0.576 . . . . 7.06 109.821 179.039 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -61.19 -44.56 97.97 Favored Glycine 0 CA--C 1.508 -0.371 0 N-CA-C 110.905 -0.878 . . . . 3.5 110.905 177.071 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 15.3 m -105.59 119.09 38.23 Favored 'General case' 0 N--CA 1.442 -0.832 0 N-CA-C 108.578 -0.897 . . . . 3.11 108.578 169.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.61 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 87.2 mttt -73.48 91.99 1.84 Allowed 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.439 -0.346 . . . . 2.99 110.355 -177.064 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.6 m -60.37 139.82 57.47 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.055 -0.521 . . . . 0.99 109.654 -174.8 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.559 HD21 HD12 ' A' ' 100' ' ' LEU . 0.4 OUTLIER -57.17 118.81 26.7 Favored Pre-proline 0 C--O 1.233 0.216 0 O-C-N 123.36 0.413 . . . . 0.59 111.808 -170.179 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.528 ' HD2' HD23 ' A' ' 3' ' ' LEU . 27.8 Cg_exo -59.82 131.06 37.73 Favored 'Trans proline' 0 N--CA 1.461 -0.432 0 C-N-CA 122.743 2.295 . . . . 0.61 111.012 172.221 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.523 ' HA ' HD12 ' A' ' 8' ' ' LEU . 7.9 p-10 -56.57 -22.04 30.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.063 -0.517 . . . . 2.19 111.72 -179.297 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 34.9 ttmt -59.02 -22.46 60.71 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 116.091 -0.504 . . . . 2.53 111.993 176.218 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -99.32 2.86 45.8 Favored 'General case' 0 C--N 1.331 -0.198 0 O-C-N 122.086 -0.384 . . . . 0.6 111.495 -179.701 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.523 HD12 ' HA ' ' A' ' 5' ' ' ASP . 97.3 mt -97.56 151.72 19.76 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.451 0.643 . . . . 0.46 111.648 -173.332 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.417 ' HA3' ' HE3' ' A' ' 142' ' ' LYS . . . 121.04 173.66 14.76 Favored Glycine 0 N--CA 1.442 -0.94 0 CA-C-N 114.972 -1.013 . . . . 0.52 111.681 -178.826 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 12.2 m -99.16 125.72 44.78 Favored 'General case' 0 N--CA 1.444 -0.745 0 N-CA-C 109.528 -0.545 . . . . 1.05 109.528 176.504 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 61.5 m-85 -118.36 129.63 55.54 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.311 -0.404 . . . . 0.47 111.016 -177.045 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.65 ' HB3' ' NE2' ' A' ' 143' ' ' GLN . 21.6 ptmt -97.72 134.72 40.52 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 120.088 -0.645 . . . . 2.19 110.685 172.018 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.447 ' HA ' ' HA ' ' A' ' 140' ' ' TYR . 6.5 tt -55.64 120.61 7.52 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 116.247 -0.433 . . . . 1.14 110.474 178.217 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -90.49 -53.08 4.59 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.958 -0.564 . . . . 2.08 110.369 -178.325 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 23.3 ptt-85 -143.3 159.84 41.6 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.951 0.405 . . . . 3.36 110.107 179.108 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -132.87 137.29 46.64 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 115.693 -0.685 . . . . 1.19 110.103 -172.531 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -140.31 124.56 17.71 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 111.899 0.333 . . . . 2.66 111.899 -173.215 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.4 t30 67.41 20.04 9.97 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 123.501 0.721 . . . . 0.76 111.796 172.452 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.4 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 19.5 t80 -75.6 -38.54 58.99 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.643 -0.708 . . . . 0.49 110.835 -176.065 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.43 ' O ' ' HG3' ' A' ' 24' ' ' LYS . 10.5 p-10 -64.28 -42.13 96.57 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 110.259 -0.275 . . . . 2.04 110.259 178.079 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 35.9 mm-40 -52.28 -45.14 65.35 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-O 120.914 0.388 . . . . 1.79 110.601 173.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 60.4 t80 -59.46 -42.23 91.52 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.552 -0.749 . . . . 0.57 111.06 176.198 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.4 ' HG ' ' O ' ' A' ' 19' ' ' PHE . 82.8 mt -64.29 -40.1 95.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.943 0.402 . . . . 0.37 110.889 -175.83 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.444 ' HG2' ' NH1' ' A' ' 33' ' ' ARG . 89.3 mttt -62.46 -50.9 69.6 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.795 -0.639 . . . . 1.88 109.819 178.242 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.417 ' HB1' ' HB2' ' A' ' 132' ' ' LYS . . . -60.45 -37.03 79.65 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 114.938 -1.028 . . . . 0.44 111.343 178.114 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.533 ' HA ' ' CD1' ' A' ' 131' ' ' TRP . 7.8 tpt180 -73.23 -8.87 57.7 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.04 -0.527 . . . . 1.29 111.452 -177.343 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 97.04 25.84 10.9 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.305 -0.95 . . . . 0.62 113.466 174.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.632 ' OH ' H141 ' A' 1001 ' ' OLA . 82.4 m-85 -96.75 112.59 24.28 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.161 -0.681 . . . . 0.64 109.161 173.363 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -71.25 -59.07 5.17 Favored Glycine 0 N--CA 1.449 -0.452 0 CA-C-N 115.141 -0.936 . . . . 1.54 113.764 -170.776 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 67.0 t90 -155.07 -56.41 0.1 Allowed 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 117.322 0.561 . . . . 1.18 112.092 -178.727 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.83 ' H ' HD12 ' A' ' 31' ' ' ILE . 3.8 mp -55.4 -50.2 67.36 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.642 0 CA-C-O 121.559 0.695 . . . . 2.16 109.871 -173.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.51 ' HA ' ' CG2' ' A' ' 35' ' ' VAL . 69.5 mmm -64.23 -31.47 72.68 Favored 'General case' 0 N--CA 1.433 -1.289 0 CA-C-N 114.959 -1.019 . . . . 0.97 111.287 -177.374 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.444 ' NH1' ' HG2' ' A' ' 24' ' ' LYS . 14.2 mtm180 -69.72 -22.19 63.41 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 120.473 -0.491 . . . . 1.87 110.19 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.54 ' O ' HD23 ' A' ' 38' ' ' LEU . 25.7 mm-40 -81.08 -30.4 34.73 Favored 'General case' 0 N--CA 1.455 -0.186 0 CA-C-N 116.215 -0.448 . . . . 1.97 110.926 178.008 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.51 ' CG2' ' HA ' ' A' ' 32' ' ' MET . 4.3 m -88.22 -55.01 6.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 N-CA-C 111.7 0.259 . . . . 0.68 111.7 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.672 ' HA ' ' H9 ' ' A' 1001 ' ' OLA . 66.1 mt -48.0 -46.93 12.83 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.398 0 N-CA-C 113.044 0.757 . . . . 0.51 113.044 -179.448 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 48.4 mtmt -74.53 -22.95 58.76 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 112.288 0.477 . . . . 0.97 112.288 -174.796 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.54 HD23 ' O ' ' A' ' 34' ' ' GLN . 4.5 mm? -90.63 -6.71 54.25 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.069 0.461 . . . . 2.08 110.919 -176.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.712 ' HA ' ' OG1' ' A' ' 63' ' ' THR . . . -83.2 109.96 17.65 Favored 'General case' 0 N--CA 1.442 -0.859 0 CA-C-N 115.842 -0.617 . . . . 1.03 110.659 176.406 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.68 ' O ' ' HA ' ' A' ' 62' ' ' THR . . . -65.78 139.58 39.09 Favored Glycine 0 N--CA 1.447 -0.603 0 N-CA-C 110.633 -0.987 . . . . 0.84 110.633 175.021 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 22.0 t -117.33 123.17 71.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-O 121.166 0.508 . . . . 1.3 111.738 -172.514 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 58.0 m -116.21 117.13 29.17 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.63 -0.714 . . . . 0.45 109.666 174.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.582 ' HE3' ' ND2' ' A' ' 60' ' ' ASN . 40.1 mmtm -99.3 130.66 45.6 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.336 -0.393 . . . . 0.79 110.016 -179.004 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.515 ' O ' ' HG2' ' A' ' 58' ' ' MET . 36.6 ttmt -130.34 127.93 40.44 Favored 'General case' 0 C--N 1.32 -0.679 0 C-N-CA 121.015 -0.274 . . . . 1.96 111.133 -176.677 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 77.2 m-85 -122.85 132.69 54.31 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.361 -0.607 . . . . 0.54 109.361 176.314 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 12.8 ptm180 -162.9 171.83 16.02 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.108 0.48 . . . . 3.17 111.558 -178.694 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 -67.87 146.36 53.73 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.116 -0.947 . . . . 1.85 108.913 173.011 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -52.71 141.52 20.82 Favored 'General case' 0 CA--C 1.512 -0.489 0 CA-C-O 121.618 0.723 . . . . 0.87 111.069 -179.238 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.88 -31.95 69.05 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 114.13 -1.395 . . . . 1.48 112.781 -168.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.642 ' OG ' ' HE2' ' A' ' 52' ' ' LYS . 2.5 p -78.87 15.23 1.12 Allowed 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.353 0.501 . . . . 2.37 112.353 178.727 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 65.09 43.46 95.62 Favored Glycine 0 C--N 1.331 0.252 0 C-N-CA 121.127 -0.559 . . . . 1.91 113.112 177.297 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.642 ' HE2' ' OG ' ' A' ' 50' ' ' SER . 51.7 mtmt -111.7 131.11 22.53 Favored Pre-proline 0 C--N 1.322 -0.606 0 CA-C-O 120.515 0.198 . . . . 3.17 110.725 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -76.72 161.17 33.96 Favored 'Trans proline' 0 N--CA 1.462 -0.355 0 C-N-CA 122.759 2.306 . . . . 1.84 111.781 177.255 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 65.71 5.9 3.59 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-O 121.563 0.697 . . . . 2.44 110.52 175.425 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.412 ' HD3' ' HA ' ' A' ' 55' ' ' ARG . 22.2 mmt180 -137.23 123.22 20.23 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 114.84 -1.073 . . . . 4.1 108.334 175.395 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.424 ' CZ ' ' HB2' ' A' ' 3' ' ' LEU . 97.3 m-85 -116.43 165.32 13.36 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-O 121.298 0.57 . . . . 0.97 111.966 -172.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -123.04 130.92 53.42 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.022 -0.99 . . . . 1.1 108.45 177.354 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.55 ' SD ' ' HD2' ' A' ' 69' ' ' HIS . 1.5 tmt? -140.19 138.11 34.89 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 109.92 -0.4 . . . . 0.98 109.92 -174.573 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -133.34 145.84 50.76 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.182 0.515 . . . . 1.11 111.987 -176.247 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.582 ' ND2' ' HE3' ' A' ' 43' ' ' LYS . 0.6 OUTLIER -118.32 73.75 0.92 Allowed 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 108.527 -0.916 . . . . 1.17 108.527 176.702 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -72.8 129.61 38.57 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.484 -0.325 . . . . 1.67 110.347 -176.134 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.68 ' HA ' ' O ' ' A' ' 40' ' ' GLY . 55.6 p -137.14 -177.16 4.64 Favored 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 109.795 -0.446 . . . . 0.45 109.795 179.268 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.712 ' OG1' ' HA ' ' A' ' 39' ' ' ALA . 27.7 p -95.29 -16.8 22.17 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.967 0.413 . . . . 0.54 110.849 179.289 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.461 ' HG2' ' C10' ' A' 1001 ' ' OLA . 25.4 tptp -106.26 -20.1 13.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.045 -0.525 . . . . 2.24 110.507 -176.514 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.69 ' HG3' ' H ' ' A' ' 66' ' ' ASP . 32.4 tptt -143.59 -145.39 0.17 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.832 0.349 . . . . 1.82 110.357 -178.012 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.69 ' H ' ' HG3' ' A' ' 65' ' ' LYS . 17.5 t70 160.3 119.29 0.0 OUTLIER 'General case' 0 C--N 1.316 -0.858 0 C-N-CA 124.469 1.108 . . . . 2.12 109.459 -168.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.504 HG22 ' O ' ' A' ' 81' ' ' GLU . 45.2 p -122.46 160.5 25.39 Favored 'General case' 0 C--N 1.312 -1.06 0 CA-C-N 116.008 -0.542 . . . . 0.56 109.971 175.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 3.8 t-160 -143.76 88.15 1.97 Allowed 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.212 0.53 . . . . 1.95 110.266 178.072 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.55 ' HD2' ' SD ' ' A' ' 58' ' ' MET . 13.3 m-70 -76.85 85.1 3.43 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.145 -0.687 . . . . 0.39 109.145 178.212 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.27 131.7 37.28 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 112.436 0.532 . . . . 2.3 112.436 -176.202 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 63.87 48.97 2.98 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.154 -0.93 . . . . 2.07 112.157 168.371 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' TRP . . . . . 0.454 ' HE1' ' CB ' ' A' ' 58' ' ' MET . 69.3 p-90 -104.45 159.25 15.88 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.003 0.43 . . . . 0.43 110.48 179.151 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.628 ' O ' ' HB3' ' A' ' 76' ' ' GLU . . . -134.24 156.55 48.19 Favored 'General case' 0 C--N 1.317 -0.833 0 N-CA-C 109.329 -0.619 . . . . 0.55 109.329 171.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.644 HD13 ' H ' ' A' ' 74' ' ' LEU . 0.0 OUTLIER -66.9 142.94 57.12 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-O 121.735 0.779 . . . . 1.71 110.237 173.058 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 78.35 3.66 86.11 Favored Glycine 0 C--N 1.315 -0.628 0 CA-C-N 114.712 -1.131 . . . . 0.59 111.85 -170.519 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.628 ' HB3' ' O ' ' A' ' 73' ' ' ALA . 8.9 tp10 -113.56 156.49 23.52 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-O 120.87 0.367 . . . . 2.37 110.475 -178.283 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.469 ' HA ' ' HA ' ' A' ' 91' ' ' THR . 1.1 pt-20 -135.51 139.58 44.1 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 108.86 -0.792 . . . . 1.4 108.86 -179.191 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 31.6 p90 -143.56 157.77 44.17 Favored 'General case' 0 C--N 1.316 -0.879 0 O-C-N 122.321 -0.237 . . . . 0.57 110.472 179.291 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 32.6 tt0 -88.32 138.35 31.52 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.666 -0.494 . . . . 1.95 109.666 177.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.485 ' O ' ' HA ' ' A' ' 87' ' ' GLN . 50.0 t0 -159.63 164.99 33.65 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.357 -0.383 . . . . 1.26 110.023 -174.564 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.504 ' O ' HG22 ' A' ' 67' ' ' THR . 35.4 tt0 -100.51 103.58 14.92 Favored 'General case' 0 CA--C 1.511 -0.536 0 N-CA-C 108.572 -0.899 . . . . 2.13 108.572 179.37 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.494 ' HB2' HD11 ' A' ' 90' ' ' ILE . . . -82.76 179.13 7.87 Favored 'General case' 0 C--N 1.311 -1.099 0 CA-C-N 114.569 -1.196 . . . . 0.95 112.566 -171.391 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.574 HD22 ' H ' ' A' ' 83' ' ' LEU . 2.9 mm? -54.69 -29.47 53.02 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 121.425 0.631 . . . . 1.34 110.097 178.303 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.404 ' HA ' H142 ' A' 1001 ' ' OLA . 1.7 p30 -68.99 2.81 2.4 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 114.607 -1.179 . . . . 1.55 112.302 -177.016 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 24.2 m 68.18 19.33 9.16 Favored 'General case' 0 C--O 1.232 0.182 0 C-N-CA 122.948 0.499 . . . . 1.21 112.177 173.145 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 15.4 p -129.2 165.44 21.34 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.381 -0.372 . . . . 0.93 110.088 174.418 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.485 ' HA ' ' O ' ' A' ' 80' ' ' ASP . 0.0 OUTLIER -110.89 121.9 46.51 Favored 'General case' 0 CA--C 1.509 -0.604 0 N-CA-C 108.851 -0.796 . . . . 1.88 108.851 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . 0.558 ' CB ' ' HA ' ' A' ' 106' ' ' LYS . 17.6 p80 -152.2 -178.3 6.71 Favored 'General case' 0 C--N 1.31 -1.139 0 CA-C-N 115.576 -0.738 . . . . 1.04 110.045 -174.434 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.435 ' H ' HG13 ' A' ' 107' ' ' VAL . 39.2 ttpt -73.42 141.38 46.94 Favored 'General case' 0 C--N 1.32 -0.7 0 O-C-N 123.535 0.522 . . . . 1.49 109.762 179.652 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.494 HD11 ' HB2' ' A' ' 82' ' ' ALA . 49.0 mt -138.96 118.36 13.89 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.033 0 CA-C-N 115.834 -0.621 . . . . 0.54 109.939 176.535 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.469 ' HA ' ' HA ' ' A' ' 77' ' ' GLU . 11.0 m -108.04 137.96 45.13 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.557 -0.747 . . . . 0.43 110.959 -176.232 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 32.4 m-85 -113.15 143.01 45.1 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 108.921 -0.77 . . . . 0.6 108.921 176.037 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -165.58 153.03 10.59 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 120.63 0.253 . . . . 1.69 110.34 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.442 ' HB2' ' HB2' ' A' ' 1' ' ' LYS . 1.9 mm? -95.73 114.32 26.04 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.349 0.595 . . . . 1.12 109.481 176.796 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 52.0 tttm -86.26 -47.48 9.38 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.328 -0.851 . . . . 3.03 109.712 -174.119 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -134.37 167.53 22.38 Favored Pre-proline 0 C--N 1.318 -0.774 0 N-CA-C 108.107 -1.071 . . . . 1.79 108.107 176.839 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_exo -65.39 -0.97 4.03 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.73 2.287 . . . . 0.98 112.35 -177.665 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 66.6 t30 -143.21 33.14 1.34 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.844 -0.616 . . . . 2.32 109.796 177.795 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 68.4 m -154.57 111.8 3.38 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-O 121.098 0.475 . . . . 0.56 112.012 179.666 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.559 HD12 HD21 ' A' ' 3' ' ' LEU . 1.3 tt -95.11 133.52 38.84 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.439 -0.948 . . . . 1.1 108.439 174.199 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 10.6 p -109.4 128.73 55.36 Favored 'General case' 0 C--N 1.323 -0.583 0 O-C-N 121.271 -0.893 . . . . 0.41 111.464 179.79 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 48.7 tt0 -112.32 103.24 11.36 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.457 -0.792 . . . . 1.31 109.331 176.283 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . 0.405 ' O ' ' HA ' ' A' ' 90' ' ' ILE . 24.8 m -97.58 112.08 24.09 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.109 0.481 . . . . 0.51 111.059 -173.722 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . 0.422 ' HB3' ' CE1' ' A' ' 88' ' ' HIS . 16.1 m170 -92.19 98.03 11.27 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.054 -0.521 . . . . 1.69 110.139 178.102 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.554 ' HA ' HG12 ' A' ' 113' ' ' VAL . 10.5 mt -100.59 109.89 26.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-O 121.322 0.582 . . . . 0.75 111.327 177.321 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.558 ' HA ' ' CB ' ' A' ' 88' ' ' HIS . 96.9 mttt -63.48 114.36 3.85 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 114.998 -1.001 . . . . 1.61 110.839 177.406 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.435 HG13 ' H ' ' A' ' 89' ' ' LYS . 17.3 m -61.51 -22.13 27.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.102 -0.954 . . . . 1.32 111.35 178.484 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . 0.54 ' OD2' ' HB3' ' A' ' 106' ' ' LYS . 10.6 p-10 -81.12 -44.09 18.44 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.935 -0.575 . . . . 2.5 110.427 178.426 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -141.7 93.62 7.6 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.256 0.551 . . . . 2.39 110.577 175.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -73.22 6.53 2.56 Favored 'Trans proline' 0 N--CA 1.464 -0.254 0 C-N-CA 123.467 2.778 . . . . 0.9 112.438 -179.278 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 30.6 p -94.61 -13.99 25.4 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.399 0.619 . . . . 1.47 110.197 173.825 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -110.37 43.67 1.36 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.418 -0.81 . . . . 1.59 109.33 -179.247 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.554 HG12 ' HA ' ' A' ' 105' ' ' ILE . 22.9 m -79.61 179.72 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.564 -0.744 . . . . 1.6 111.874 -178.58 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.44 ' HB2' ' NH1' ' A' ' 26' ' ' ARG . 8.0 tp10 -160.09 154.47 23.7 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.811 -0.631 . . . . 2.78 109.682 175.712 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 23.3 m -136.17 133.08 36.78 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.082 0.468 . . . . 0.53 111.086 -178.49 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 13.6 m-30 -98.92 154.37 18.1 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 107.725 -1.213 . . . . 0.96 107.725 173.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . 0.516 ' HB2' ' HB3' ' A' ' 128' ' ' LYS . 33.7 mt-10 -131.88 113.54 13.58 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.245 -1.02 . . . . 1.27 108.245 175.276 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 83.7 m-85 -89.84 103.32 15.98 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-O 121.226 0.536 . . . . 0.6 110.384 -178.635 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 12.4 ttp180 -111.74 142.77 43.66 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.277 -0.874 . . . . 3.41 109.27 178.744 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 8.6 tpt180 -96.2 135.46 37.98 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 109.618 -0.512 . . . . 1.96 109.618 -179.642 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -131.35 86.19 2.33 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.395 0.616 . . . . 1.08 109.876 175.798 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 70.02 -112.18 4.24 Favored Glycine 0 N--CA 1.443 -0.873 0 CA-C-N 115.327 -0.852 . . . . 0.92 112.284 179.35 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -96.29 3.45 53.01 Favored 'General case' 0 C--N 1.323 -0.586 0 O-C-N 122.791 -0.241 . . . . 2.31 110.976 -177.404 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 94.9 m-85 -119.82 144.68 47.21 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.158 0.504 . . . . 0.67 111.568 -178.493 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -96.94 125.91 41.7 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 107.152 -1.425 . . . . 1.03 107.152 172.332 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 59.4 t -116.69 127.18 74.37 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.831 0 CA-C-O 121.259 0.552 . . . . 0.47 110.658 -170.567 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' MET . . . . . 0.477 ' HB3' ' HB2' ' A' ' 138' ' ' ARG . 20.0 ttm -97.97 143.29 28.69 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 115.464 -0.789 . . . . 1.08 110.351 177.391 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . 0.516 ' HB3' ' HB2' ' A' ' 117' ' ' GLU . 5.4 tppp? -119.15 126.61 52.0 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 109.33 -0.618 . . . . 2.2 109.33 174.498 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' MET . . . . . 0.497 ' HB2' ' CG2' ' A' ' 136' ' ' THR . 59.9 mtp -128.44 135.59 49.69 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 107.816 -1.179 . . . . 1.11 107.816 174.018 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 3.4 p -146.43 122.58 10.82 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 121.231 0.539 . . . . 1.06 111.954 -177.017 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' TRP . . . . . 0.649 ' CD1' ' HG2' ' A' ' 132' ' ' LYS . 64.2 t-105 -139.82 132.72 29.28 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.092 -0.958 . . . . 0.76 109.45 179.33 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . 0.649 ' HG2' ' CD1' ' A' ' 131' ' ' TRP . 75.5 mmtt 57.38 34.37 24.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.697 -0.683 . . . . 1.96 110.882 -177.424 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 75.99 5.61 80.6 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.873 -0.68 . . . . 0.53 113.539 179.679 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 51.4 t -101.97 107.3 21.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 N-CA-C 110.043 -0.355 . . . . 0.43 110.043 177.527 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . 0.4 ' HA ' ' O ' ' A' ' 129' ' ' MET . 8.2 m -95.61 153.19 17.84 Favored 'General case' 0 N--CA 1.436 -1.158 0 CA-C-O 121.28 0.562 . . . . 1.14 111.194 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . 0.497 ' CG2' ' HB2' ' A' ' 129' ' ' MET . 2.9 t -137.12 136.62 38.46 Favored 'General case' 0 C--N 1.313 -1.015 0 CA-C-N 115.286 -0.87 . . . . 0.4 109.833 174.537 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 38.3 m -107.86 114.8 29.01 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.179 0.514 . . . . 0.79 109.877 177.628 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . 0.534 HH11 ' HG3' ' A' ' 138' ' ' ARG . 7.9 mmm-85 -98.46 113.4 25.38 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 108.846 -0.798 . . . . 1.84 108.846 -179.274 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 94.9 m-85 -94.01 112.58 24.43 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.111 0.482 . . . . 0.64 111.078 -174.801 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 140' ' ' TYR . . . . . 0.447 ' HA ' ' HA ' ' A' ' 13' ' ' LEU . 74.1 m-85 -105.5 130.76 53.5 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.505 -0.77 . . . . 0.6 109.789 178.044 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . 0.447 ' HG3' ' O ' ' A' ' 142' ' ' LYS . 10.5 ptmt -98.18 164.52 12.29 Favored 'General case' 0 C--N 1.313 -0.994 0 N-CA-C 107.181 -1.414 . . . . 1.92 107.181 171.81 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . 0.447 ' O ' ' HG3' ' A' ' 141' ' ' LYS . 21.5 tptm -54.11 171.9 0.1 Allowed 'General case' 0 C--N 1.314 -0.956 0 CA-C-O 121.452 0.644 . . . . 2.13 111.207 172.884 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . 0.65 ' NE2' ' HB3' ' A' ' 12' ' ' LYS . 60.7 mm-40 . . . . . 0 C--O 1.248 0.98 0 O-C-N 121.252 -0.905 . . . . 1.46 109.807 158.58 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1001 ' ' OLA . . . . . 0.672 ' H9 ' ' HA ' ' A' ' 36' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' -11' ' ' MET . . . . . . . . . . . . . 60.6 ttp . . . . . 0 N--CA 1.481 1.118 0 CA-C-O 120.762 0.315 . . . . 14.47 110.972 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' -10' ' ' ARG . . . . . . . . . . . . . 39.1 mmt180 -90.37 72.72 7.05 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.884 0.373 . . . . 15.82 110.972 -177.705 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' -9' ' ' GLY . . . . . . . . . . . . . . . 134.38 119.29 1.95 Allowed Glycine 0 N--CA 1.445 -0.75 0 C-N-CA 120.435 -0.888 . . . . 11.88 112.562 177.795 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' -8' ' ' SER . . . . . . . . . . . . . 38.4 t -161.26 138.73 9.04 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.942 0.401 . . . . 11.68 109.949 177.328 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' -7' ' ' HIS . . . . . . . . . . . . . 14.3 t60 -86.06 -6.0 59.11 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.313 -0.625 . . . . 11.79 109.313 178.277 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' -6' ' ' HIS . . . . . . . . . . . . . 74.4 m-70 -92.12 117.83 30.23 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.595 -0.73 . . . . 10.98 110.009 -179.417 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' -5' ' ' HIS . . . . . 0.528 ' O ' ' HA2' ' A' ' -1' ' ' GLY . 1.3 p80 -145.31 79.28 1.58 Allowed 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.485 0.659 . . . . 9.31 110.712 -177.057 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' -4' ' ' HIS . . . . . . . . . . . . . 30.3 m-70 -104.56 -169.87 1.68 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.729 -0.669 . . . . 10.54 109.978 178.321 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' -3' ' ' HIS . . . . . . . . . . . . . 81.3 m-70 68.91 -70.74 0.13 Allowed 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 123.039 0.536 . . . . 8.73 110.561 -178.697 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 66.0 m-70 -90.65 -37.4 13.79 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.791 -0.448 . . . . 7.06 109.791 175.533 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' -1' ' ' GLY . . . . . 0.528 ' HA2' ' O ' ' A' ' -5' ' ' HIS . . . 66.46 59.66 7.04 Favored Glycine 0 N--CA 1.444 -0.772 0 N-CA-C 110.812 -0.915 . . . . 3.5 110.812 -174.504 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 8.8 m 72.02 150.4 0.1 Allowed 'General case' 0 C--N 1.329 -0.32 0 O-C-N 124.671 0.865 . . . . 3.11 110.237 -175.664 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.474 ' O ' HD11 ' A' ' 74' ' ' LEU . 26.9 mtpp -81.85 93.53 6.89 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 108.582 -0.895 . . . . 2.99 108.582 172.646 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.9 m -59.79 130.18 45.54 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.803 0.335 . . . . 0.99 110.263 -172.591 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.545 HD23 ' HD2' ' A' ' 4' ' ' PRO . 0.4 OUTLIER -58.73 120.46 45.96 Favored Pre-proline 0 C--N 1.324 -0.508 0 CA-C-N 115.589 -0.732 . . . . 0.59 110.772 -176.746 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.545 ' HD2' HD23 ' A' ' 3' ' ' LEU . 76.8 Cg_exo -51.8 119.92 6.34 Favored 'Trans proline' 0 N--CA 1.461 -0.385 0 C-N-CA 122.774 2.316 . . . . 0.61 111.667 173.51 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.479 ' HA ' HD12 ' A' ' 8' ' ' LEU . 28.8 t70 -51.64 -27.33 11.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.528 -0.76 . . . . 2.19 111.967 -179.356 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.401 ' HB3' ' HG3' ' A' ' 120' ' ' ARG . 44.6 mmtm -56.61 -30.78 63.62 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.045 0.387 . . . . 2.53 112.045 176.832 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -84.49 -8.98 58.76 Favored 'General case' 0 C--O 1.225 -0.212 0 O-C-N 122.08 -0.388 . . . . 0.6 110.792 -177.561 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.479 HD12 ' HA ' ' A' ' 5' ' ' ASP . 91.4 mt -92.89 133.9 35.63 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.112 0.482 . . . . 0.46 111.125 -170.398 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 149.0 175.08 21.14 Favored Glycine 0 N--CA 1.446 -0.675 0 CA-C-N 115.358 -0.837 . . . . 0.52 111.986 -179.342 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 4.6 m -111.47 115.45 29.24 Favored 'General case' 0 N--CA 1.446 -0.657 0 N-CA-C 109.187 -0.671 . . . . 1.05 109.187 177.352 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 61.1 m-85 -115.3 131.2 57.0 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 112.9 0.704 . . . . 0.47 112.9 -169.242 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.472 ' HG2' ' CD ' ' A' ' 143' ' ' GLN . 18.5 mmtp -82.42 128.08 33.91 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 115.878 -0.601 . . . . 2.19 110.893 167.304 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.427 HD12 ' HB ' ' A' ' 41' ' ' VAL . 5.5 tt -55.41 121.79 9.76 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.309 -0.405 . . . . 1.14 110.035 171.466 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.434 ' HB2' ' HG3' ' A' ' 141' ' ' LYS . 7.2 tp10 -93.29 -54.64 3.61 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-O 120.645 0.26 . . . . 2.08 110.764 179.588 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 5.8 ptp180 -159.05 178.84 9.62 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 120.888 0.375 . . . . 3.36 111.495 -175.127 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -145.62 155.01 42.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.708 -0.678 . . . . 1.19 110.073 177.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -95.47 -51.83 4.4 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.584 0.587 . . . . 2.66 112.584 -175.206 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -146.83 52.39 1.1 Allowed 'General case' 0 C--O 1.238 0.463 0 CA-C-O 121.96 0.886 . . . . 0.76 110.517 -176.511 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.72 ' HE1' ' HE2' ' A' ' 129' ' ' MET . 11.0 t80 -77.5 -36.14 52.9 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.244 -0.889 . . . . 0.49 110.974 -172.738 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -57.08 -57.41 12.7 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.531 -0.304 . . . . 2.04 111.486 178.502 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -59.11 -36.67 75.57 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.772 -0.194 . . . . 1.79 111.271 178.479 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.563 ' O ' ' HB2' ' A' ' 26' ' ' ARG . 78.3 t80 -56.24 -41.07 75.14 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.894 0.378 . . . . 0.57 110.262 175.308 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.493 ' HG ' ' O ' ' A' ' 19' ' ' PHE . 96.0 mt -68.0 -38.78 83.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.049 -0.523 . . . . 0.37 110.724 -179.063 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 39.4 mttp -63.47 -52.49 61.13 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-O 121.071 0.462 . . . . 1.88 110.302 178.204 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.06 -37.71 80.69 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.708 -0.678 . . . . 0.44 111.13 178.715 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.563 ' HB2' ' O ' ' A' ' 22' ' ' TYR . 0.3 OUTLIER -65.84 -13.39 59.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.845 -0.616 . . . . 1.29 110.942 -178.552 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 93.7 20.8 30.5 Favored Glycine 0 N--CA 1.447 -0.584 0 C-N-CA 120.628 -0.796 . . . . 0.62 112.717 179.459 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.401 ' CD1' ' HB3' ' A' ' 26' ' ' ARG . 60.5 m-85 -93.21 125.26 37.71 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.995 0.426 . . . . 0.64 110.283 177.099 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -78.41 -178.27 49.54 Favored Glycine 0 N--CA 1.443 -0.853 0 C-N-CA 120.685 -0.769 . . . . 1.54 111.688 -177.844 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.493 ' O ' ' HG2' ' A' ' 34' ' ' GLN . 88.2 t90 -50.64 -49.33 57.18 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 122.536 0.334 . . . . 1.18 111.717 -176.88 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.402 HD13 ' HA ' ' A' ' 31' ' ' ILE . 1.9 mm -56.4 -56.79 11.66 Favored 'Isoleucine or valine' 0 C--O 1.232 0.142 0 N-CA-C 111.881 0.326 . . . . 2.16 111.881 -178.855 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.427 ' CE ' H121 ' A' 1001 ' ' OLA . 66.1 mmm -60.84 -37.43 82.04 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.672 0.272 . . . . 0.97 110.924 179.58 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.432 HH11 ' HD3' ' A' ' 33' ' ' ARG . 39.9 ttp-105 -69.4 -20.53 63.81 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.117 -0.492 . . . . 1.87 110.425 -178.483 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.493 ' HG2' ' O ' ' A' ' 30' ' ' TRP . 27.4 mm-40 -83.43 -34.7 25.41 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.194 -0.457 . . . . 1.97 110.455 175.402 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.437 HG13 ' HE3' ' A' ' 64' ' ' LYS . 75.0 t -76.59 -67.49 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-O 121.179 0.514 . . . . 0.68 111.101 -179.555 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.669 ' HA ' ' H9 ' ' A' 1001 ' ' OLA . 97.0 mt -38.59 -58.75 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 N-CA-C 114.962 1.467 . . . . 0.51 114.962 -176.519 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.41 ' HG2' ' O ' ' A' ' 33' ' ' ARG . 60.4 pttt -84.1 0.03 50.03 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.098 -0.641 . . . . 0.97 112.052 -170.82 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.509 ' C ' HD13 ' A' ' 38' ' ' LEU . 1.1 tm? -93.43 -37.13 12.13 Favored 'General case' 0 N--CA 1.442 -0.836 0 N-CA-C 109.149 -0.685 . . . . 2.08 109.149 178.31 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -59.55 124.89 21.52 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 115.481 -0.781 . . . . 1.03 111.472 -179.57 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.496 ' O ' ' HA ' ' A' ' 62' ' ' THR . . . -68.96 139.52 32.88 Favored Glycine 0 N--CA 1.446 -0.643 0 N-CA-C 110.847 -0.901 . . . . 0.84 110.847 174.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.427 ' HB ' HD12 ' A' ' 13' ' ' LEU . 54.5 t -122.85 127.31 74.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-O 121.28 0.562 . . . . 1.3 111.427 -174.329 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.444 HG23 HE21 ' A' ' 143' ' ' GLN . 44.3 m -106.0 106.18 16.57 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.307 -0.86 . . . . 0.45 110.111 174.547 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.414 ' HZ1' ' C1 ' ' A' 1001 ' ' OLA . 36.5 mmtm -81.42 122.11 27.09 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.327 -0.62 . . . . 0.79 109.327 175.176 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -129.8 117.06 19.64 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-O 120.834 0.35 . . . . 1.96 111.076 -172.768 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.412 ' HB2' ' HA ' ' A' ' 8' ' ' LEU . 58.5 m-85 -122.61 130.7 53.29 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.016 -0.538 . . . . 0.54 109.722 178.286 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.508 ' HG3' ' HB3' ' A' ' 57' ' ' ASP . 35.2 ptt180 -156.94 172.56 18.45 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.87 0.367 . . . . 3.17 111.231 -179.402 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.429 ' HA ' ' CD2' ' A' ' 56' ' ' TYR . 13.3 m120 -63.02 159.78 16.41 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.59 -0.732 . . . . 1.85 109.102 170.595 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.418 ' HA ' ' HB2' ' A' ' 57' ' ' ASP . . . -53.16 142.93 19.24 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 118.162 0.437 . . . . 0.87 111.906 -177.326 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -45.02 -60.47 2.06 Favored 'General case' 0 C--O 1.237 0.402 0 O-C-N 123.834 0.708 . . . . 1.48 112.833 -175.305 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 66.5 m -58.67 -42.44 88.44 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.489 0.661 . . . . 2.37 110.219 178.659 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 115.66 32.09 1.82 Allowed Glycine 0 N--CA 1.448 -0.502 0 CA-C-N 114.781 -1.099 . . . . 1.91 111.195 179.022 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 52.5 mtmt -87.19 127.69 58.24 Favored Pre-proline 0 C--N 1.322 -0.593 0 N-CA-C 109.501 -0.555 . . . . 3.17 109.501 -177.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.444 ' O ' ' HB2' ' A' ' 54' ' ' ASP . 26.3 Cg_endo -60.13 151.6 71.73 Favored 'Trans proline' 0 C--O 1.236 0.415 0 C-N-CA 123.032 2.488 . . . . 1.84 112.862 -175.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.444 ' HB2' ' O ' ' A' ' 53' ' ' PRO . 20.6 m-20 86.54 -58.8 0.05 Allowed 'General case' 0 CA--C 1.516 -0.334 0 O-C-N 124.689 1.243 . . . . 2.44 108.796 177.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.434 ' HD2' ' N ' ' A' ' 55' ' ' ARG . 4.7 mpt_? -68.38 137.86 54.89 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 114.892 -1.049 . . . . 4.1 112.111 177.316 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.429 ' CD2' ' HA ' ' A' ' 47' ' ' ASN . 43.6 m-85 -120.51 174.88 6.28 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.124 -0.943 . . . . 0.97 110.237 177.061 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.508 ' HB3' ' HG3' ' A' ' 46' ' ' ARG . 20.0 t70 -130.06 134.48 47.41 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.237 -0.653 . . . . 1.1 109.237 -177.673 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 1.6 tmt? -143.31 129.27 19.54 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.599 0.238 . . . . 0.98 110.397 -175.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.424 ' HG2' ' HA ' ' A' ' 68' ' ' HIS . 48.7 mt-10 -133.24 155.61 49.04 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.193 0.52 . . . . 1.11 111.876 -174.135 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.433 ' HB2' ' OG1' ' A' ' 67' ' ' THR . 54.0 m-80 -128.94 94.62 3.88 Favored 'General case' 0 CA--C 1.515 -0.366 0 CA-C-N 115.302 -0.863 . . . . 1.17 109.906 177.72 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.442 ' HB3' ' HB ' ' A' ' 42' ' ' THR . 63.1 tp -89.56 126.0 35.43 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 109.948 -0.39 . . . . 1.67 109.948 -179.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.496 ' HA ' ' O ' ' A' ' 40' ' ' GLY . 19.2 p -135.27 -174.17 3.54 Favored 'General case' 0 N--CA 1.451 -0.398 0 N-CA-C 109.736 -0.468 . . . . 0.45 109.736 -178.847 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 18.4 p -91.8 -20.49 21.44 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.936 0.398 . . . . 0.54 110.953 -178.206 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.437 ' HE3' HG13 ' A' ' 35' ' ' VAL . 75.9 mmtt -107.94 -33.87 7.08 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.919 0.39 . . . . 2.24 111.167 -173.507 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.691 ' HG3' ' H ' ' A' ' 66' ' ' ASP . 22.3 tptp -139.27 -142.27 0.15 Allowed 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 109.331 -0.618 . . . . 1.82 109.331 -178.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.691 ' H ' ' HG3' ' A' ' 65' ' ' LYS . 15.2 t70 160.55 129.51 0.0 OUTLIER 'General case' 0 C--N 1.308 -1.227 0 O-C-N 124.406 1.067 . . . . 2.12 109.677 -168.245 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.482 HG23 HD13 ' A' ' 83' ' ' LEU . 13.0 p -126.8 157.7 38.53 Favored 'General case' 0 C--N 1.314 -0.957 0 N-CA-C 108.584 -0.895 . . . . 0.56 108.584 168.442 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.424 ' HA ' ' HG2' ' A' ' 59' ' ' GLU . 0.3 OUTLIER -152.85 80.88 1.21 Allowed 'General case' 0 C--N 1.314 -0.96 0 CA-C-O 121.835 0.826 . . . . 1.95 110.391 -176.818 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -67.1 87.15 0.15 Allowed 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 114.429 -1.26 . . . . 0.39 109.453 178.629 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -87.93 127.75 35.37 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 112.854 0.687 . . . . 2.3 112.854 -177.693 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 17.2 t70 62.43 67.83 0.7 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 114.81 -1.086 . . . . 2.07 110.959 170.241 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 68.2 p-90 -119.21 162.11 19.24 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.824 -0.626 . . . . 0.43 110.991 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -124.62 146.34 49.13 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.081 -0.711 . . . . 0.55 109.081 171.777 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.739 HD13 ' H ' ' A' ' 74' ' ' LEU . 0.0 OUTLIER -61.84 140.19 58.29 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.757 0.789 . . . . 1.71 110.122 173.3 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 84.23 7.92 84.38 Favored Glycine 0 N--CA 1.444 -0.778 0 CA-C-N 114.871 -1.059 . . . . 0.59 111.88 -170.203 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -117.29 125.46 51.12 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-O 121.354 0.597 . . . . 2.37 111.412 -178.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.465 ' HA ' ' HA ' ' A' ' 91' ' ' THR . 42.4 tt0 -89.86 127.87 36.08 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.013 -0.994 . . . . 1.4 110.401 173.346 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 21.0 p90 -133.3 154.29 50.83 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.932 -0.577 . . . . 0.57 110.537 -178.536 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -94.13 145.86 24.39 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 110.01 -0.367 . . . . 1.95 110.01 177.784 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 41.9 t0 -152.3 168.14 26.38 Favored 'General case' 0 C--O 1.248 0.977 0 N-CA-C 110.029 -0.36 . . . . 1.26 110.029 -176.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.586 ' HA ' ' NE2' ' A' ' 87' ' ' GLN . 10.0 pt-20 -85.13 88.83 7.51 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-O 121.807 0.813 . . . . 2.13 109.829 -178.769 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.559 ' HB1' ' OD1' ' A' ' 84' ' ' ASP . . . -48.31 146.96 2.52 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 113.893 -1.503 . . . . 0.95 114.298 -169.044 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.482 HD13 HG23 ' A' ' 67' ' ' THR . 2.8 mm? -55.83 -36.67 67.75 Favored 'General case' 0 CA--C 1.517 -0.315 0 CA-C-N 115.32 -0.855 . . . . 1.34 108.754 170.545 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.559 ' OD1' ' HB1' ' A' ' 82' ' ' ALA . 6.2 p-10 -78.65 23.62 0.31 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 114.499 -1.228 . . . . 1.55 112.287 -177.752 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 48.0 m 61.44 29.04 18.27 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 115.748 -0.66 . . . . 1.21 112.532 170.038 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 71.8 p -128.67 -174.7 3.31 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.684 -0.487 . . . . 0.93 109.684 174.849 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.586 ' NE2' ' HA ' ' A' ' 81' ' ' GLU . 31.0 mm-40 -117.5 119.64 35.65 Favored 'General case' 0 C--N 1.31 -1.124 0 N-CA-C 108.011 -1.107 . . . . 1.88 108.011 172.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . 0.712 ' HA ' HG13 ' A' ' 107' ' ' VAL . 20.7 p80 -153.33 169.43 23.11 Favored 'General case' 0 C--N 1.316 -0.858 0 C-N-CA 118.373 -1.331 . . . . 1.04 113.243 179.313 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.404 ' HG2' ' O ' ' A' ' 105' ' ' ILE . 53.7 pttt -81.49 152.98 27.07 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 114.458 -1.246 . . . . 1.49 110.266 -174.366 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.46 ' HA ' ' HA ' ' A' ' 104' ' ' HIS . 67.6 mt -145.91 120.99 3.05 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 CA-C-N 115.18 -0.918 . . . . 0.54 110.077 -176.491 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.465 ' HA ' ' HA ' ' A' ' 77' ' ' GLU . 19.3 m -98.2 124.58 42.86 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-O 120.861 0.362 . . . . 0.43 110.367 175.28 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -102.12 124.08 47.09 Favored 'General case' 0 CA--C 1.506 -0.713 0 N-CA-C 108.157 -1.053 . . . . 0.6 108.157 174.387 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -143.3 138.37 29.49 Favored 'General case' 0 C--N 1.314 -0.949 0 C-N-CA 120.651 -0.419 . . . . 1.69 110.516 -171.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.482 HD22 ' HG ' ' A' ' 100' ' ' LEU . 1.8 mm? -87.34 116.23 25.29 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.281 -0.418 . . . . 1.12 109.915 176.269 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 53.6 tttm -89.92 -52.84 4.77 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.659 -0.7 . . . . 3.03 109.115 -176.739 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -133.98 165.4 36.96 Favored Pre-proline 0 C--N 1.32 -0.699 0 N-CA-C 107.895 -1.15 . . . . 1.79 107.895 174.677 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 13.2 Cg_exo -71.75 4.46 3.08 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.624 2.216 . . . . 0.98 111.312 178.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . 0.537 ' O ' ' HA ' ' A' ' 119' ' ' ARG . 5.1 t-20 -127.34 0.95 6.35 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.319 -0.855 . . . . 2.32 109.495 178.273 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 24.6 m -143.54 107.72 4.75 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-O 121.238 0.542 . . . . 0.56 112.039 -175.34 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.544 HD23 ' N ' ' A' ' 101' ' ' THR . 3.2 tt -91.77 143.39 26.58 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 107.386 -1.339 . . . . 1.1 107.386 172.59 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.544 ' N ' HD23 ' A' ' 100' ' ' LEU . 33.0 p -125.94 141.93 51.75 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 119.576 1.08 . . . . 0.41 112.476 -179.205 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.598 ' O ' ' HA ' ' A' ' 115' ' ' THR . 34.8 tt0 -112.05 109.76 19.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.418 -0.81 . . . . 1.31 109.695 172.703 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 54.3 m -103.22 101.43 11.37 Favored 'General case' 0 C--N 1.317 -0.808 0 N-CA-C 108.978 -0.749 . . . . 0.51 108.978 175.612 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . 0.46 ' HA ' ' HA ' ' A' ' 90' ' ' ILE . 0.8 OUTLIER -111.58 135.91 51.51 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-O 121.14 0.495 . . . . 1.69 110.714 -174.736 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.664 ' O ' ' HB2' ' A' ' 88' ' ' HIS . 48.7 mt -137.44 137.88 45.44 Favored 'Isoleucine or valine' 0 C--O 1.233 0.214 0 CA-C-N 115.231 -0.895 . . . . 0.75 111.278 -172.615 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.562 ' HB2' ' O ' ' A' ' 109' ' ' ASP . 34.1 mmtm -59.39 123.82 18.01 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.975 -0.557 . . . . 1.61 111.866 174.255 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.712 HG13 ' HA ' ' A' ' 88' ' ' HIS . 19.2 m -68.61 -27.97 38.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 115.832 -0.622 . . . . 1.32 110.209 171.559 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -72.16 -67.78 0.52 Allowed 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.356 -0.838 . . . . 2.5 109.97 177.626 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.562 ' O ' ' HB2' ' A' ' 106' ' ' LYS . 6.8 p-10 -124.19 93.16 47.23 Favored Pre-proline 0 C--N 1.323 -0.571 0 CA-C-N 115.307 -0.86 . . . . 2.39 110.128 178.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.457 ' HD2' ' HA ' ' A' ' 109' ' ' ASP . 51.4 Cg_endo -67.0 14.26 0.13 Allowed 'Trans proline' 0 C--O 1.233 0.247 0 C-N-CA 123.871 3.047 . . . . 0.9 113.865 -175.669 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 32.3 p -76.49 -22.5 54.43 Favored 'General case' 0 N--CA 1.443 -0.812 0 N-CA-C 109.427 -0.583 . . . . 1.47 109.427 172.225 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . 0.551 ' HB3' ' CG ' ' A' ' 106' ' ' LYS . 38.1 t70 -78.9 92.06 4.85 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.454 -0.794 . . . . 1.59 109.635 172.625 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.489 HG12 HG12 ' A' ' 105' ' ' ILE . 0.0 OUTLIER -117.16 124.35 72.91 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.608 0 CA-C-N 115.595 -0.729 . . . . 1.6 111.024 -178.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.419 ' HB3' ' CD2' ' A' ' 104' ' ' HIS . 40.8 tt0 -147.87 147.11 29.41 Favored 'General case' 0 C--N 1.317 -0.828 0 C-N-CA 120.144 -0.622 . . . . 2.78 111.578 -177.01 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . 0.598 ' HA ' ' O ' ' A' ' 102' ' ' GLU . 31.6 m -135.52 127.24 29.12 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 115.848 -0.615 . . . . 0.53 110.986 -179.648 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' TYR . . . . . 0.422 ' CE2' ' HE1' ' A' ' 104' ' ' HIS . 18.6 m-85 -106.18 155.26 19.63 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 107.204 -1.406 . . . . 0.96 107.204 171.552 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . 0.527 ' HG2' HG22 ' A' ' 101' ' ' THR . 26.3 mt-10 -130.04 130.7 45.27 Favored 'General case' 0 N--CA 1.447 -0.596 0 N-CA-C 108.589 -0.893 . . . . 1.27 108.589 -175.742 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 50.8 m-85 -101.86 103.27 13.95 Favored 'General case' 0 C--N 1.316 -0.854 0 N-CA-C 109.814 -0.439 . . . . 0.6 109.814 -179.619 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . 0.537 ' HA ' ' O ' ' A' ' 98' ' ' ASN . 69.1 mtp85 -102.57 157.06 17.2 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.955 -0.566 . . . . 3.41 110.151 179.394 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . 0.663 ' NH2' ' HA ' ' A' ' 123' ' ' ASP . 6.4 mmm180 -117.65 118.26 31.61 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 120.949 0.404 . . . . 1.96 111.995 178.043 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -132.06 118.91 20.29 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.551 -0.75 . . . . 1.08 109.883 175.098 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 70.2 -116.57 6.77 Favored Glycine 0 N--CA 1.447 -0.567 0 N-CA-C 110.792 -0.923 . . . . 0.92 110.792 -174.575 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . 0.663 ' HA ' ' NH2' ' A' ' 120' ' ' ARG . 28.3 t70 -121.73 19.28 11.08 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.625 0.726 . . . . 2.31 109.515 172.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . 0.67 ' CE2' ' HB3' ' A' ' 141' ' ' LYS . 88.5 m-85 -102.75 133.77 47.25 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.635 -0.711 . . . . 0.67 111.073 -178.156 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.464 ' HB3' ' HB2' ' A' ' 140' ' ' TYR . 3.1 tm? -81.49 111.48 17.85 Favored 'General case' 0 N--CA 1.445 -0.715 0 N-CA-C 107.162 -1.421 . . . . 1.03 107.162 171.05 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 46.8 t -101.19 108.36 23.23 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.862 0 CA-C-O 121.046 0.451 . . . . 0.47 110.213 -171.226 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' MET . . . . . . . . . . . . . 10.3 ttm -81.43 123.96 29.03 Favored 'General case' 0 C--N 1.313 -0.983 0 CA-C-N 115.743 -0.662 . . . . 1.08 110.008 176.669 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 22.4 tptm -117.22 128.05 54.71 Favored 'General case' 0 C--N 1.315 -0.903 0 N-CA-C 108.703 -0.851 . . . . 2.2 108.703 178.424 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' MET . . . . . 0.72 ' HE2' ' HE1' ' A' ' 19' ' ' PHE . 7.2 ptm -150.1 135.54 18.17 Favored 'General case' 0 C--N 1.311 -1.077 0 N-CA-C 109.231 -0.655 . . . . 1.11 109.231 -175.478 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 1.8 m -140.77 136.92 32.99 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 120.905 0.383 . . . . 1.06 111.012 -176.818 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' TRP . . . . . 0.606 ' CD1' ' HD3' ' A' ' 132' ' ' LYS . 33.0 t-105 -141.32 125.33 17.2 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.892 -0.595 . . . . 0.76 110.09 -178.119 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . 0.606 ' HD3' ' CD1' ' A' ' 131' ' ' TRP . 13.9 mptt 48.9 45.19 22.48 Favored 'General case' 0 C--N 1.33 -0.283 0 O-C-N 123.695 0.622 . . . . 1.96 112.051 -179.118 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 82.65 -7.22 66.12 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.941 -0.647 . . . . 0.53 113.604 177.581 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 16.5 t -94.34 104.68 16.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 117.353 0.576 . . . . 0.43 110.055 178.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 1.3 m -99.46 150.22 22.41 Favored 'General case' 0 N--CA 1.441 -0.892 0 CA-C-N 116.019 -0.537 . . . . 1.14 110.684 -179.541 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 5.8 t -152.19 143.47 23.28 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.881 -0.6 . . . . 0.4 111.013 176.696 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 37.9 m -110.3 125.78 53.52 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.6 -0.727 . . . . 0.79 110.182 174.218 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 9.2 mtm180 -107.78 114.94 29.26 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.028 -0.73 . . . . 1.84 109.028 175.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 91.2 m-85 -91.47 121.03 32.81 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.124 -0.489 . . . . 0.64 111.344 -173.129 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 140' ' ' TYR . . . . . 0.464 ' HB2' ' HB3' ' A' ' 125' ' ' LEU . 61.0 m-85 -111.6 137.04 49.98 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.405 -0.816 . . . . 0.6 110.111 178.037 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . 0.67 ' HB3' ' CE2' ' A' ' 124' ' ' TYR . 0.0 OUTLIER -120.7 165.09 15.57 Favored 'General case' 0 C--O 1.208 -1.104 0 N-CA-C 107.755 -1.202 . . . . 1.92 107.755 174.024 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 60.0 mttp -49.13 164.47 0.07 Allowed 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 119.033 0.833 . . . . 2.13 112.685 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . 0.472 ' CD ' ' HG2' ' A' ' 12' ' ' LYS . 46.8 mm-40 . . . . . 0 C--O 1.25 1.095 0 O-C-N 121.299 -0.876 . . . . 1.46 110.495 165.748 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1001 ' ' OLA . . . . . 0.669 ' H9 ' ' HA ' ' A' ' 36' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' -11' ' ' MET . . . . . . . . . . . . . 26.1 mmt . . . . . 0 N--CA 1.481 1.1 0 CA-C-O 120.742 0.306 . . . . 14.47 110.183 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' -10' ' ' ARG . . . . . . . . . . . . . 77.5 mtp180 -120.17 -6.95 9.9 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.909 0.385 . . . . 15.82 111.069 -178.384 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' -9' ' ' GLY . . . . . . . . . . . . . . . 84.1 10.65 80.18 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.945 -0.645 . . . . 11.88 112.731 178.391 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' -8' ' ' SER . . . . . . . . . . . . . 20.0 m -91.22 -49.63 6.27 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.632 0.253 . . . . 11.68 111.273 -177.063 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' -7' ' ' HIS . . . . . . . . . . . . . 14.1 p-80 -112.94 150.41 31.88 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 120.964 -0.295 . . . . 11.79 110.556 -178.714 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' -6' ' ' HIS . . . . . . . . . . . . . 37.8 t-80 58.58 44.57 17.46 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 121.502 0.668 . . . . 10.98 109.744 179.802 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' -5' ' ' HIS . . . . . . . . . . . . . 13.9 p-80 -104.63 -7.01 19.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.771 -0.65 . . . . 9.31 111.87 -174.045 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' -4' ' ' HIS . . . . . . . . . . . . . 8.8 p80 -71.13 -23.98 62.19 Favored 'General case' 0 N--CA 1.464 0.23 0 C-N-CA 120.61 -0.436 . . . . 10.54 110.089 179.389 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' -3' ' ' HIS . . . . . . . . . . . . . 60.3 m-70 -150.24 97.43 2.55 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.817 -0.629 . . . . 8.73 109.477 172.156 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 15.6 t-80 -89.39 54.15 2.84 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.37 0.605 . . . . 7.06 110.422 -176.101 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 88.5 153.33 26.43 Favored Glycine 0 N--CA 1.447 -0.623 0 C-N-CA 120.912 -0.661 . . . . 3.5 112.201 -179.421 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 14.3 m -92.76 128.87 38.78 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 120.684 0.278 . . . . 3.11 110.614 -179.59 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.424 ' O ' HD11 ' A' ' 74' ' ' LEU . 28.7 mtpp -70.67 118.75 13.87 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 108.948 -0.76 . . . . 2.99 108.948 172.104 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.3 m -66.05 125.86 26.79 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 109.596 -0.52 . . . . 0.99 109.596 -177.702 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.59 HD23 ' HD2' ' A' ' 4' ' ' PRO . 0.4 OUTLIER -57.3 120.89 43.41 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-N 116.062 -0.517 . . . . 0.59 110.817 -176.655 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.59 ' HD2' HD23 ' A' ' 3' ' ' LEU . 44.0 Cg_exo -56.18 123.81 14.75 Favored 'Trans proline' 0 N--CA 1.459 -0.512 0 C-N-CA 122.666 2.244 . . . . 0.61 111.015 174.293 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.467 ' HA ' HD12 ' A' ' 8' ' ' LEU . 4.2 m-20 -53.04 -21.97 5.26 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.819 -0.628 . . . . 2.19 112.398 -178.374 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 52.2 mtmt -52.42 -32.22 38.16 Favored 'General case' 0 CA--C 1.532 0.255 0 N-CA-C 112.042 0.386 . . . . 2.53 112.042 176.317 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 30.3 m-85 -92.55 -2.12 56.42 Favored 'General case' 0 C--N 1.331 -0.21 0 O-C-N 122.2 -0.313 . . . . 0.6 111.743 -175.501 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.467 HD12 ' HA ' ' A' ' 5' ' ' ASP . 89.8 mt -95.19 142.08 28.04 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.071 0.462 . . . . 0.46 111.413 -170.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 136.38 174.78 13.49 Favored Glycine 0 N--CA 1.448 -0.558 0 CA-C-N 115.47 -0.786 . . . . 0.52 112.126 179.613 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.499 HG23 ' HG2' ' A' ' 44' ' ' LYS . 52.7 m -102.97 120.39 40.56 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.843 -0.429 . . . . 1.05 109.843 175.699 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.5 ' HA ' ' HA ' ' A' ' 142' ' ' LYS . 23.9 m-85 -118.82 135.27 54.63 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.953 -0.112 . . . . 0.47 111.29 -175.438 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.59 ' HD3' ' O ' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -94.49 139.8 30.67 Favored 'General case' 0 C--O 1.235 0.312 0 C-N-CA 120.247 -0.581 . . . . 2.19 110.551 169.375 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.0 tt -55.75 112.64 1.21 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.03 -0.532 . . . . 1.14 110.895 174.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -78.58 -52.13 8.92 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.675 -0.491 . . . . 2.08 109.675 179.238 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 28.7 ptt-85 -162.75 177.11 9.61 Favored 'General case' 0 C--O 1.234 0.266 0 N-CA-C 110.036 -0.357 . . . . 3.36 110.036 178.215 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -134.02 159.14 41.7 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.482 -0.326 . . . . 1.19 110.623 -177.436 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -141.38 117.42 10.57 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.363 -0.38 . . . . 2.66 110.246 179.642 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 42.2 t30 68.86 25.3 6.2 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-O 121.516 0.674 . . . . 0.76 110.951 176.422 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.604 ' CD1' ' HD2' ' A' ' 138' ' ' ARG . 19.5 t80 -76.02 -41.21 51.68 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.549 -0.75 . . . . 0.49 110.676 -176.116 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.425 ' O ' ' HG3' ' A' ' 24' ' ' LYS . 16.3 t70 -54.62 -52.0 63.6 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.979 0.419 . . . . 2.04 110.447 176.598 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 63.7 mm-40 -53.76 -43.25 69.02 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.574 -0.739 . . . . 1.79 111.449 177.195 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 80.3 t80 -58.05 -41.28 82.96 Favored 'General case' 0 C--O 1.226 -0.161 0 CA-C-N 116.615 -0.266 . . . . 0.57 110.626 176.471 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.446 ' HG ' ' O ' ' A' ' 19' ' ' PHE . 90.0 mt -65.66 -41.02 93.01 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.821 0.343 . . . . 0.37 110.405 -178.242 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.425 ' HG3' ' O ' ' A' ' 20' ' ' ASP . 27.4 mtpp -61.72 -52.95 62.16 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.37 0.605 . . . . 1.88 109.825 177.561 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.87 -40.14 79.49 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 114.877 -1.056 . . . . 0.44 111.179 178.477 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 23.7 tpt85 -67.82 -19.52 65.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.714 -0.676 . . . . 1.29 111.184 -177.302 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 103.77 25.39 7.25 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.654 -0.784 . . . . 0.62 113.5 179.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 59.4 m-85 -99.28 127.27 45.26 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 117.159 0.479 . . . . 0.64 110.69 177.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.523 ' O ' ' HG3' ' A' ' 33' ' ' ARG . . . -75.4 178.65 47.2 Favored Glycine 0 N--CA 1.446 -0.644 0 CA-C-N 115.543 -0.753 . . . . 1.54 112.57 -179.558 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.551 ' O ' ' HG2' ' A' ' 34' ' ' GLN . 86.7 t90 -49.42 -51.29 36.33 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 122.91 0.484 . . . . 1.18 112.022 -175.296 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.408 ' HA ' HD13 ' A' ' 31' ' ' ILE . 1.3 mm -54.18 -53.79 26.19 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 N-CA-C 111.748 0.277 . . . . 2.16 111.748 -178.806 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.582 ' O ' HG13 ' A' ' 36' ' ' ILE . 69.2 mmm -57.98 -40.81 81.57 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.341 -0.39 . . . . 0.97 110.993 179.515 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.523 ' HG3' ' O ' ' A' ' 29' ' ' GLY . 59.8 mtm-85 -68.21 -15.98 63.79 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.766 0.317 . . . . 1.87 111.134 -179.071 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.553 ' O ' HD23 ' A' ' 38' ' ' LEU . 29.0 mm-40 -89.62 -17.8 27.75 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.838 0.351 . . . . 1.97 110.523 176.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 57.8 t -95.13 -63.8 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 121.071 0.462 . . . . 0.68 110.876 177.376 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.582 HG13 ' O ' ' A' ' 32' ' ' MET . 34.9 mt -45.72 -49.11 4.47 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.424 0 N-CA-C 114.447 1.277 . . . . 0.51 114.447 -174.442 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.617 ' HG3' HD22 ' A' ' 38' ' ' LEU . 64.6 pttt -85.28 -0.18 53.92 Favored 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 120.045 -0.662 . . . . 0.97 111.908 -173.507 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.617 HD22 ' HG3' ' A' ' 37' ' ' LYS . 2.7 mm? -110.12 2.01 19.17 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.104 0.478 . . . . 2.08 110.343 176.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -85.31 123.52 30.88 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 115.876 -0.602 . . . . 1.03 110.25 178.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.592 ' O ' ' HA ' ' A' ' 62' ' ' THR . . . -66.46 130.53 31.79 Favored Glycine 0 N--CA 1.446 -0.672 0 N-CA-C 111.086 -0.806 . . . . 0.84 111.086 175.005 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.468 HG22 HG22 ' A' ' 62' ' ' THR . 40.7 t -121.04 124.86 73.15 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-O 120.952 0.406 . . . . 1.3 110.578 -174.885 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 15.1 m -114.49 114.24 25.53 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.904 -0.589 . . . . 0.45 110.253 179.298 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.457 ' HE3' ' HE3' ' A' ' 127' ' ' MET . 73.8 mmtt -89.31 136.36 33.07 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.084 -0.507 . . . . 0.79 109.932 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.504 ' O ' ' HA ' ' A' ' 58' ' ' MET . 93.7 mttt -133.55 100.42 4.8 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.604 0.24 . . . . 1.96 111.27 -176.385 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 82.3 m-85 -105.37 129.69 53.64 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.716 -0.476 . . . . 0.54 109.716 175.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.419 ' HG3' ' O ' ' A' ' 47' ' ' ASN . 12.3 ptp180 -156.42 172.01 19.26 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 116.64 -0.255 . . . . 3.17 110.528 -178.847 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.419 ' O ' ' HG3' ' A' ' 46' ' ' ARG . 25.5 m-80 -65.5 152.57 43.7 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 108.571 -0.9 . . . . 1.85 108.571 169.173 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.434 ' HA ' ' HB2' ' A' ' 57' ' ' ASP . . . -53.82 134.19 42.48 Favored 'General case' 0 CA--C 1.519 -0.222 0 CA-C-O 121.376 0.608 . . . . 0.87 111.153 -176.89 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.7 -38.98 86.83 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 114.425 -1.261 . . . . 1.48 112.672 -167.733 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 32.5 t -83.37 16.96 2.28 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-O 121.341 0.591 . . . . 2.37 110.957 179.217 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 67.7 36.53 87.74 Favored Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.953 -0.642 . . . . 1.91 112.758 178.672 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -82.22 121.78 78.9 Favored Pre-proline 0 C--N 1.324 -0.532 0 N-CA-C 109.995 -0.372 . . . . 3.17 109.995 177.377 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.461 ' O ' ' HB2' ' A' ' 54' ' ' ASP . 61.1 Cg_endo -70.66 141.17 40.94 Favored 'Trans proline' 0 C--O 1.236 0.376 0 C-N-CA 122.708 2.272 . . . . 1.84 112.007 -177.592 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.461 ' HB2' ' O ' ' A' ' 53' ' ' PRO . 16.1 m-20 79.78 -48.63 0.37 Allowed 'General case' 0 N--CA 1.469 0.523 0 O-C-N 124.091 0.87 . . . . 2.44 109.455 -178.764 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 15.7 mmt180 -60.26 136.0 57.9 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.352 -0.84 . . . . 4.1 111.911 172.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.505 ' CE1' ' HB2' ' A' ' 3' ' ' LEU . 47.4 m-85 -121.18 165.67 15.06 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.316 -0.856 . . . . 0.97 109.856 174.852 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.434 ' HB2' ' HA ' ' A' ' 48' ' ' ALA . 21.2 t70 -120.2 140.03 51.75 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 116.463 -0.335 . . . . 1.1 110.282 -176.852 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.504 ' HA ' ' O ' ' A' ' 44' ' ' LYS . 9.9 tpt -137.36 135.2 36.8 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.253 -0.43 . . . . 0.98 110.244 -178.043 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.453 ' HB3' ' HB2' ' A' ' 44' ' ' LYS . 35.3 tt0 -133.08 137.08 46.25 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 121.03 0.443 . . . . 1.11 110.436 -179.89 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.634 ' HB2' ' OG1' ' A' ' 67' ' ' THR . 0.9 OUTLIER -117.62 90.29 3.3 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 108.454 -0.943 . . . . 1.17 108.454 -178.243 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 59.8 tp -90.44 139.52 30.6 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.388 -0.369 . . . . 1.67 110.358 -177.592 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.592 ' HA ' ' O ' ' A' ' 40' ' ' GLY . 49.3 p -138.4 -164.37 1.62 Allowed 'General case' 0 N--CA 1.445 -0.704 0 N-CA-C 109.342 -0.614 . . . . 0.45 109.342 177.699 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 64.0 p -94.44 -31.4 13.99 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-O 121.22 0.533 . . . . 0.54 110.772 179.167 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.465 ' HB2' ' H82' ' A' 1001 ' ' OLA . 72.2 mmtt -108.83 -11.01 15.08 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.622 -0.717 . . . . 2.24 111.794 -172.879 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.489 ' HG2' ' HA ' ' A' ' 83' ' ' LEU . 12.9 tptp -142.42 -152.99 0.44 Allowed 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 120.911 -0.316 . . . . 1.82 110.904 -177.643 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 15.2 t70 166.97 126.84 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.242 -0.89 . . . . 2.12 110.094 -169.528 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.634 ' OG1' ' HB2' ' A' ' 60' ' ' ASN . 35.4 p -139.68 148.86 42.97 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 109.459 -0.571 . . . . 0.56 109.459 175.217 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 9.8 t-160 -141.22 98.08 3.3 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 121.083 0.468 . . . . 1.95 109.846 -179.422 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 32.3 m-70 -76.9 85.46 3.46 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.702 -0.681 . . . . 0.39 109.467 178.719 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 25.0 mttp -71.76 116.08 11.72 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.539 -0.755 . . . . 2.3 112.564 -175.388 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.4 p30 48.69 82.73 0.04 OUTLIER 'General case' 0 N--CA 1.472 0.632 0 CA-C-O 122.595 1.188 . . . . 2.07 113.276 174.103 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' TRP . . . . . 0.486 ' HE1' ' CB ' ' A' ' 58' ' ' MET . 64.1 p-90 -114.84 162.36 16.99 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 114.453 -1.248 . . . . 0.43 109.518 176.151 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.647 ' O ' ' HB3' ' A' ' 76' ' ' GLU . . . -126.32 151.24 47.82 Favored 'General case' 0 C--N 1.317 -0.812 0 N-CA-C 109.31 -0.626 . . . . 0.55 109.31 172.444 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.656 HD13 ' H ' ' A' ' 74' ' ' LEU . 0.0 OUTLIER -65.27 145.05 56.71 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.528 0.68 . . . . 1.71 110.11 172.241 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 82.01 -9.15 58.07 Favored Glycine 0 N--CA 1.446 -0.684 0 CA-C-N 115.068 -0.969 . . . . 0.59 111.983 -171.273 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.647 ' HB3' ' O ' ' A' ' 73' ' ' ALA . 7.6 tp10 -97.21 150.28 21.08 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.251 0.548 . . . . 2.37 110.663 -175.405 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -129.35 123.08 30.87 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.08 -0.963 . . . . 1.4 108.817 179.191 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 51.0 p90 -131.92 157.12 44.85 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 116.246 -0.433 . . . . 0.57 109.954 -176.154 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -92.23 142.26 27.67 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 109.224 -0.658 . . . . 1.95 109.224 176.702 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 34.0 t0 -164.02 162.61 23.28 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.263 -0.643 . . . . 1.26 109.263 -173.564 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.513 ' HA ' ' HA ' ' A' ' 87' ' ' GLN . 31.9 tt0 -98.75 114.77 27.44 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.522 0.677 . . . . 2.13 109.329 -179.727 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -82.91 174.07 11.25 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 114.636 -1.166 . . . . 0.95 112.055 -174.188 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.489 ' HA ' ' HG2' ' A' ' 65' ' ' LYS . 13.4 mt -64.7 -16.94 63.62 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.358 -0.837 . . . . 1.34 110.812 -179.661 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.534 ' HA ' H131 ' A' 1001 ' ' OLA . 6.2 p30 -77.83 8.85 4.04 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.452 -0.794 . . . . 1.55 112.067 179.398 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 14.5 m 73.7 3.18 4.45 Favored 'General case' 0 N--CA 1.465 0.281 0 C-N-CA 123.285 0.634 . . . . 1.21 112.345 174.689 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 16.6 p -119.38 160.62 21.95 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.749 0.309 . . . . 0.93 110.311 176.348 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.513 ' HA ' ' HA ' ' A' ' 81' ' ' GLU . 3.4 pt20 -114.49 129.52 56.67 Favored 'General case' 0 CA--C 1.507 -0.687 0 CA-C-O 121.608 0.718 . . . . 1.88 110.557 179.861 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . 0.812 ' HA ' HG23 ' A' ' 107' ' ' VAL . 4.1 p80 -149.39 175.11 11.75 Favored 'General case' 0 C--N 1.313 -0.994 0 CA-C-N 114.811 -1.086 . . . . 1.04 110.066 -174.065 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 15.2 pttp -79.09 139.99 37.95 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-O 121.324 0.583 . . . . 1.49 109.741 -176.806 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 64.8 mt -134.77 126.34 47.44 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.026 0 CA-C-N 115.142 -0.935 . . . . 0.54 110.329 -173.042 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 8.7 m -109.59 132.68 53.92 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 115.978 -0.555 . . . . 0.43 110.501 179.089 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -108.48 135.11 50.3 Favored 'General case' 0 C--N 1.317 -0.821 0 N-CA-C 108.014 -1.106 . . . . 0.6 108.014 171.691 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -155.06 142.01 19.17 Favored 'General case' 0 C--N 1.317 -0.833 0 C-N-CA 120.639 -0.424 . . . . 1.69 110.886 -176.527 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.418 HD22 ' HG ' ' A' ' 100' ' ' LEU . 1.7 mm? -87.56 116.51 25.73 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 109.303 -0.628 . . . . 1.12 109.303 175.12 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 40.2 ttpt -80.74 -43.94 19.43 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 108.444 -0.947 . . . . 3.03 108.444 -177.353 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -157.3 165.13 19.43 Favored Pre-proline 0 C--N 1.32 -0.686 0 N-CA-C 107.347 -1.353 . . . . 1.79 107.347 175.047 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -60.68 4.65 0.19 Allowed 'Trans proline' 0 CA--C 1.535 0.538 0 C-N-CA 123.184 2.589 . . . . 0.98 114.615 -175.591 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . 0.551 ' OD1' ' HB3' ' A' ' 120' ' ' ARG . 65.8 t30 -132.04 11.97 4.69 Favored 'General case' 0 C--N 1.329 -0.307 0 O-C-N 122.128 -0.358 . . . . 2.32 111.18 177.262 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 42.3 m -152.91 116.15 4.65 Favored 'General case' 0 CA--C 1.533 0.323 0 N-CA-C 112.911 0.708 . . . . 0.56 112.911 179.174 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.422 HD23 ' H ' ' A' ' 101' ' ' THR . 0.6 OUTLIER -90.2 154.02 20.06 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 114.978 -1.01 . . . . 1.1 108.322 172.096 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.44 HG22 ' HG2' ' A' ' 117' ' ' GLU . 18.2 p -129.77 135.54 48.57 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 118.619 0.645 . . . . 0.41 111.296 175.565 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 65.0 tt0 -117.2 106.45 13.32 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.793 -0.64 . . . . 1.31 109.363 175.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 50.7 m -105.66 121.18 43.47 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.127 0.489 . . . . 0.51 111.164 -175.5 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . 0.509 ' HB3' ' CE1' ' A' ' 88' ' ' HIS . 9.8 m170 -104.03 117.2 33.72 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.906 -0.588 . . . . 1.69 109.908 179.41 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.548 ' O ' ' HB2' ' A' ' 88' ' ' HIS . 46.1 mt -118.9 119.1 59.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 121.111 0.481 . . . . 0.75 110.58 175.374 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.609 ' HA ' ' CB ' ' A' ' 88' ' ' HIS . 46.0 mtpt -64.61 124.55 22.17 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.473 -0.785 . . . . 1.61 111.968 -177.55 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.812 HG23 ' HA ' ' A' ' 88' ' ' HIS . 86.4 t -58.69 -35.49 55.69 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.63 0 CA-C-N 114.432 -1.258 . . . . 1.32 110.949 176.692 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . 0.532 ' OD2' ' HE2' ' A' ' 106' ' ' LYS . 18.3 p-10 -82.0 -42.75 18.92 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.346 -0.843 . . . . 2.5 110.613 -179.053 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.578 ' O ' ' HB2' ' A' ' 106' ' ' LYS . 18.5 m-20 -135.29 89.7 22.58 Favored Pre-proline 0 CA--C 1.516 -0.337 0 CA-C-O 121.107 0.48 . . . . 2.39 110.897 176.546 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -70.67 1.07 5.41 Favored 'Trans proline' 0 C--N 1.332 -0.29 0 C-N-CA 123.292 2.661 . . . . 0.9 113.282 -176.519 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 37.4 p -81.32 -17.9 47.61 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.451 0.644 . . . . 1.47 109.606 176.477 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -88.72 49.95 1.88 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.267 -0.879 . . . . 1.59 110.072 179.353 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 2.3 p -71.83 114.5 10.51 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.032 0 CA-C-O 121.506 0.669 . . . . 1.6 111.513 -179.676 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -113.72 137.38 51.7 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.037 -0.983 . . . . 2.78 109.896 -176.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 27.5 m -135.4 129.76 33.82 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.256 0.55 . . . . 0.53 112.127 -177.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' TYR . . . . . 0.481 ' CE2' ' HE1' ' A' ' 104' ' ' HIS . 4.7 m-30 -107.72 152.66 24.04 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 106.611 -1.625 . . . . 0.96 106.611 169.721 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . 0.466 ' O ' ' HA ' ' A' ' 127' ' ' MET . 35.4 mt-10 -130.18 131.7 45.72 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 119.278 0.945 . . . . 1.27 108.484 -178.282 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . 0.433 ' HD1' HD11 ' A' ' 125' ' ' LEU . 99.1 m-85 -104.87 95.49 5.91 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 120.83 0.348 . . . . 0.6 110.837 -177.404 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.49 151.71 23.93 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 109.842 -0.429 . . . . 3.41 109.842 179.649 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . 0.551 ' HB3' ' OD1' ' A' ' 98' ' ' ASN . 21.3 tpt180 -99.14 133.01 44.04 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 120.826 0.346 . . . . 1.96 110.708 -176.857 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -121.33 76.75 1.26 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.021 -0.536 . . . . 1.08 109.661 177.541 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 64.93 -95.32 0.19 Allowed Glycine 0 N--CA 1.447 -0.6 0 CA-C-N 115.541 -0.754 . . . . 0.92 112.562 -179.44 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -102.17 -10.31 19.73 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.174 0.512 . . . . 2.31 110.664 -178.703 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . 0.472 ' CD2' ' HB3' ' A' ' 141' ' ' LYS . 95.1 m-85 -104.69 146.95 28.23 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.157 0.503 . . . . 0.67 111.597 -177.259 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.433 HD11 ' HD1' ' A' ' 118' ' ' TYR . 2.7 tm? -99.36 122.01 41.9 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 107.363 -1.347 . . . . 1.03 107.363 172.054 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 59.9 t -117.38 127.55 74.84 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-O 121.224 0.535 . . . . 0.47 110.63 -171.27 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' MET . . . . . 0.466 ' HA ' ' O ' ' A' ' 117' ' ' GLU . 29.2 ttm -97.31 140.36 31.9 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 115.462 -0.79 . . . . 1.08 110.341 178.409 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -126.88 113.84 17.09 Favored 'General case' 0 C--N 1.316 -0.856 0 N-CA-C 109.485 -0.561 . . . . 2.2 109.485 176.47 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' MET . . . . . 0.502 ' O ' ' HA ' ' A' ' 135' ' ' SER . 24.5 mtp -113.62 143.04 45.24 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 108.641 -0.874 . . . . 1.11 108.641 179.854 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . 0.463 ' HA ' ' O ' ' A' ' 134' ' ' VAL . 11.7 p -141.17 130.31 23.41 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.453 -0.499 . . . . 1.06 112.187 -177.846 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' TRP . . . . . 0.531 ' CD1' ' HD3' ' A' ' 132' ' ' LYS . 43.4 t-105 -144.38 124.45 13.62 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.259 -0.882 . . . . 0.76 109.768 175.791 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . 0.531 ' HD3' ' CD1' ' A' ' 131' ' ' TRP . 14.3 mptt 51.78 44.28 29.42 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-O 121.1 0.476 . . . . 1.96 111.484 -176.472 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 85.18 -27.14 5.17 Favored Glycine 0 N--CA 1.45 -0.413 0 CA-C-N 115.844 -0.616 . . . . 0.53 112.661 178.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . 0.463 ' O ' ' HA ' ' A' ' 130' ' ' SER . 16.0 t -70.18 105.12 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 120.836 0.35 . . . . 0.43 110.206 -177.321 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . 0.502 ' HA ' ' O ' ' A' ' 129' ' ' MET . 4.6 m -102.77 142.16 34.37 Favored 'General case' 0 N--CA 1.43 -1.449 0 CA-C-O 121.241 0.543 . . . . 1.14 110.228 177.522 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . 0.498 ' CG2' ' HB2' ' A' ' 129' ' ' MET . 2.6 t -129.05 125.28 36.92 Favored 'General case' 0 C--N 1.306 -1.315 0 CA-C-N 115.273 -0.876 . . . . 0.4 110.126 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 6.5 m -102.98 108.01 19.02 Favored 'General case' 0 N--CA 1.448 -0.571 0 N-CA-C 109.105 -0.702 . . . . 0.79 109.105 178.294 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . 0.604 ' HD2' ' CD1' ' A' ' 19' ' ' PHE . 47.5 mtp180 -107.35 125.45 51.21 Favored 'General case' 0 C--N 1.314 -0.977 0 CA-C-O 121.238 0.542 . . . . 1.84 109.955 -176.674 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 58.5 m-85 -97.95 117.85 33.22 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.222 -0.899 . . . . 0.64 111.213 -167.743 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 95.4 m-85 -108.54 136.26 48.44 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.875 -0.602 . . . . 0.6 110.354 177.803 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . 0.472 ' HB3' ' CD2' ' A' ' 124' ' ' TYR . 0.0 OUTLIER -123.33 159.53 28.65 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 107.376 -1.342 . . . . 1.92 107.376 173.712 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . 0.53 ' O ' ' HG3' ' A' ' 12' ' ' LYS . 12.3 mmmm -50.05 171.89 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.751 0 N-CA-C 114.758 1.392 . . . . 2.13 114.758 -175.061 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . 0.535 ' NE2' ' HB3' ' A' ' 12' ' ' LYS . 12.8 mm-40 . . . . . 0 C--O 1.25 1.088 0 CA-C-N 114.707 -1.133 . . . . 1.46 110.767 160.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1001 ' ' OLA . . . . . 0.741 H141 ' C10' ' A' 1001 ' ' OLA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 stop_ save_