data_2gw9_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 2gw9 _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 15.7 m-85 . . . . . 0 CA--C 1.517 -0.289 0 CA-C-O 121.301 0.572 . . . . 0.0 112.011 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 98.2 m -80.99 135.95 35.94 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.14 -0.936 . . . . 0.0 109.365 177.432 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 74.3 mmt-85 -124.63 146.86 48.85 Favored 'General case' 0 C--N 1.311 -1.107 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.551 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.665 ' HG2' ' CE2' ' A' ' 25' ' ' PHE . 43.9 mtpt -91.27 119.84 31.67 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.779 -179.123 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 75.73 -44.74 1.79 Allowed Glycine 0 N--CA 1.452 -0.283 0 CA-C-N 116.043 -0.526 . . . . 0.0 114.234 179.168 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -167.54 157.04 10.26 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.153 0.501 . . . . 0.0 112.01 -179.148 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 3.6 m -79.71 165.91 22.34 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.015 -0.993 . . . . 0.0 110.786 179.743 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 50.8 mtmt -80.46 165.36 22.25 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 178.113 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -66.72 70.4 0.08 Allowed 'General case' 0 N--CA 1.466 0.375 0 CA-C-O 121.002 0.43 . . . . 0.0 111.402 179.667 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 168.83 -26.24 0.12 Allowed Glycine 0 N--CA 1.443 -0.895 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.575 -179.318 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.557 ' HA ' ' HA ' ' A' ' 30' ' ' PRO . 26.1 mt-10 -96.46 124.24 40.39 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-O 121.025 0.441 . . . . 0.0 110.427 -179.739 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.449 ' HD3' ' HA ' ' A' ' 16' ' ' ARG . 19.1 mmt85 -93.88 137.13 33.44 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.86 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 16.7 t -61.7 125.91 18.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.983 -179.682 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.89 -30.72 8.34 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.533 -0.758 . . . . 0.0 109.335 179.144 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -174.25 -161.1 23.62 Favored Glycine 0 N--CA 1.446 -0.636 0 C-N-CA 120.585 -0.817 . . . . 0.0 112.405 179.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 16.6 p -111.31 143.02 42.77 Favored 'General case' 0 C--N 1.32 -0.693 0 C-N-CA 122.201 0.2 . . . . 0.0 111.033 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 39.7 m -99.28 -35.82 9.83 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.505 0.669 . . . . 0.0 110.255 179.288 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 171.31 -159.86 31.81 Favored Glycine 0 N--CA 1.439 -1.101 0 CA-C-N 115.304 -0.862 . . . . 0.0 111.066 179.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.544 HD13 ' H ' ' A' ' 23' ' ' ILE . 4.3 mp -64.36 109.1 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 N-CA-C 109.941 -0.392 . . . . 0.0 109.941 179.496 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.492 ' HB2' ' O ' ' A' ' 23' ' ' ILE . 61.6 mtp85 75.22 16.52 2.74 Favored 'General case' 0 N--CA 1.466 0.372 0 O-C-N 124.019 0.824 . . . . 0.0 112.697 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.665 ' CE2' ' HG2' ' A' ' 8' ' ' LYS . 14.0 m-85 -128.2 132.4 48.83 Favored 'General case' 0 CA--C 1.513 -0.469 0 CA-C-O 121.121 0.486 . . . . 0.0 110.004 178.861 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 72.8 mt -117.96 140.47 49.68 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.685 -179.307 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -89.24 107.87 19.3 Favored 'General case' 0 C--N 1.317 -0.844 0 N-CA-C 107.84 -1.17 . . . . 0.0 107.84 178.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 3.9 m -110.98 140.37 45.56 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.934 -177.715 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 35.0 m -114.83 121.26 35.81 Favored Pre-proline 0 C--N 1.319 -0.76 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.282 178.51 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.557 ' HA ' ' HA ' ' A' ' 15' ' ' GLU . 51.7 Cg_exo . . . . . 0 C--O 1.232 0.199 0 C-N-CA 122.862 2.374 . . . . 0.0 111.473 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 51.7 m-85 . . . . . 0 C--O 1.233 0.198 0 CA-C-O 120.936 0.398 . . . . 0.0 111.498 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 91.8 m -81.07 133.02 35.4 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.394 177.761 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 58.5 mtt-85 -137.82 139.59 40.05 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-O 121.06 0.457 . . . . 0.0 110.085 179.615 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.446 ' HA ' ' O ' ' A' ' 24' ' ' ARG . 0.0 OUTLIER -82.46 133.55 35.21 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 115.525 -0.761 . . . . 0.0 112.021 -178.798 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 87.12 -55.6 4.58 Favored Glycine 0 N--CA 1.451 -0.312 0 CA-C-N 115.242 -0.89 . . . . 0.0 113.355 179.423 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -175.05 165.82 3.47 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.88 0.371 . . . . 0.0 111.136 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.69 ' SG ' HG22 ' A' ' 17' ' ' VAL . 3.7 m -72.04 160.66 32.12 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.291 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.492 ' HB3' ' OE1' ' A' ' 15' ' ' GLU . 13.0 ttpp -87.24 151.14 23.41 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 107.358 -1.349 . . . . 0.0 107.358 177.01 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 53.2 mmm-85 -48.84 116.46 1.65 Allowed 'General case' 0 C--O 1.235 0.295 0 CA-C-O 120.764 0.316 . . . . 0.0 110.378 -179.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 123.36 -30.99 4.8 Favored Glycine 0 N--CA 1.445 -0.759 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.644 -178.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.547 ' HA ' ' HA ' ' A' ' 30' ' ' PRO . 3.4 mt-10 -97.73 131.29 44.4 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-O 121.257 0.551 . . . . 0.0 111.793 -179.211 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 47.4 mmm-85 -94.52 138.27 32.63 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.141 179.317 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.69 HG22 ' SG ' ' A' ' 11' ' ' CYS . 11.0 t -64.98 123.8 18.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-O 120.908 0.385 . . . . 0.0 111.14 -179.737 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.615 ' HD2' ' SG ' ' A' ' 29' ' ' CYS . 51.4 ttt-85 -100.72 -34.05 10.01 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.071 -0.715 . . . . 0.0 109.071 178.65 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 176.8 -158.05 23.7 Favored Glycine 0 N--CA 1.446 -0.639 0 CA-C-N 115.371 -0.831 . . . . 0.0 112.45 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 7.9 p -107.17 143.34 35.5 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 120.583 0.23 . . . . 0.0 111.314 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.426 ' SG ' ' HB2' ' A' ' 27' ' ' TYR . 49.9 m -99.38 -38.15 8.95 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.325 0.583 . . . . 0.0 110.513 179.436 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 175.04 -157.02 23.66 Favored Glycine 0 N--CA 1.442 -0.952 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.603 179.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.495 HG23 ' HD3' ' A' ' 24' ' ' ARG . 46.7 mm -61.54 103.6 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 120.532 0.206 . . . . 0.0 110.963 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.495 ' HD3' HG23 ' A' ' 23' ' ' ILE . 0.9 OUTLIER 74.66 15.53 3.26 Favored 'General case' 0 N--CA 1.469 0.478 0 O-C-N 124.108 0.88 . . . . 0.0 112.961 179.775 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 34.0 m-85 -124.11 133.59 53.57 Favored 'General case' 0 CA--C 1.512 -0.514 0 CA-C-N 118.479 0.581 . . . . 0.0 110.04 178.782 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.6 mp -115.28 144.13 44.2 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.028 -179.741 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.426 ' HB2' ' SG ' ' A' ' 21' ' ' CYS . 3.9 t80 -94.43 112.56 24.34 Favored 'General case' 0 C--N 1.316 -0.867 0 N-CA-C 108.158 -1.053 . . . . 0.0 108.158 179.204 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 10.9 m -117.01 139.56 50.53 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-N 116.122 -0.49 . . . . 0.0 112.264 -177.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.615 ' SG ' ' HD2' ' A' ' 18' ' ' ARG . 38.9 m -112.25 125.76 29.57 Favored Pre-proline 0 C--N 1.32 -0.698 0 CA-C-N 115.505 -0.771 . . . . 0.0 109.672 178.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.547 ' HA ' ' HA ' ' A' ' 15' ' ' GLU . 31.2 Cg_exo . . . . . 0 CA--C 1.52 -0.21 0 C-N-CA 122.879 2.386 . . . . 0.0 112.059 -179.708 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 89.6 m-85 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.924 0.392 . . . . 0.0 111.536 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 69.1 m -84.12 132.7 34.67 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.165 177.592 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.428 ' HE ' ' CD ' ' A' ' 15' ' ' GLU . 69.8 mtt-85 -136.27 143.45 44.25 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-O 121.399 0.618 . . . . 0.0 110.769 179.725 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 63.1 tttm -83.24 126.5 32.72 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.043 -0.98 . . . . 0.0 111.849 -178.66 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 88.29 -54.36 4.2 Favored Glycine 0 N--CA 1.448 -0.526 0 CA-C-N 115.558 -0.746 . . . . 0.0 114.711 178.228 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -172.02 158.2 4.61 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.576 0.584 . . . . 0.0 112.576 -178.716 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.518 ' SG ' HG21 ' A' ' 17' ' ' VAL . 3.3 m -72.92 162.39 29.55 Favored 'General case' 0 C--O 1.24 0.571 0 CA-C-N 115.054 -0.976 . . . . 0.0 111.453 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 61.0 tttp -72.36 156.45 39.07 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 108.092 -1.077 . . . . 0.0 108.092 177.283 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.533 ' CZ ' ' HA ' ' A' ' 13' ' ' ARG . 8.9 mmp_? -67.93 78.53 0.22 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.28 0.562 . . . . 0.0 110.487 -179.742 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 163.9 -22.86 0.17 Allowed Glycine 0 N--CA 1.443 -0.891 0 CA-C-N 115.067 -0.97 . . . . 0.0 111.204 -178.65 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.562 ' HA ' ' HA ' ' A' ' 30' ' ' PRO . 46.5 mt-10 -92.56 139.92 30.09 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-O 121.548 0.689 . . . . 0.0 111.571 -179.456 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -98.94 131.8 44.74 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-N 114.8 -1.091 . . . . 0.0 109.061 178.892 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.518 HG21 ' SG ' ' A' ' 11' ' ' CYS . 21.2 t -62.16 123.59 15.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 121.147 0.499 . . . . 0.0 110.851 -179.707 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.545 ' HD2' ' SG ' ' A' ' 29' ' ' CYS . 41.6 ttt85 -97.03 -36.71 10.42 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.409 -0.814 . . . . 0.0 108.864 179.096 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 177.64 -159.14 24.87 Favored Glycine 0 N--CA 1.447 -0.617 0 CA-C-N 115.192 -0.913 . . . . 0.0 112.531 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 17.0 p -105.52 141.96 36.09 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 120.658 0.266 . . . . 0.0 111.355 -179.715 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.483 ' SG ' ' HB2' ' A' ' 27' ' ' TYR . 61.9 m -100.56 -37.61 8.72 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.183 0.516 . . . . 0.0 110.812 179.281 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 174.89 -157.87 25.3 Favored Glycine 0 N--CA 1.444 -0.786 0 C-N-CA 120.752 -0.737 . . . . 0.0 111.825 179.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.507 ' O ' ' HB2' ' A' ' 24' ' ' ARG . 57.6 mt -62.12 99.83 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 120.661 0.267 . . . . 0.0 110.849 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.755 ' HE ' ' HA ' ' A' ' 24' ' ' ARG . 1.6 mmp_? 75.58 20.23 1.93 Allowed 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 115.265 -0.879 . . . . 0.0 112.903 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 43.8 m-85 -124.19 132.84 53.64 Favored 'General case' 0 CA--C 1.512 -0.502 0 N-CA-C 109.438 -0.579 . . . . 0.0 109.438 177.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 80.6 mt -117.39 142.69 46.81 Favored 'General case' 0 C--N 1.313 -1.001 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.459 -179.186 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.483 ' HB2' ' SG ' ' A' ' 21' ' ' CYS . 3.4 t80 -94.26 110.62 22.35 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 107.583 -1.266 . . . . 0.0 107.583 178.865 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 4.4 m -117.69 143.43 46.2 Favored 'General case' 0 C--N 1.313 -0.984 0 N-CA-C 112.26 0.467 . . . . 0.0 112.26 -177.43 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.545 ' SG ' ' HD2' ' A' ' 18' ' ' ARG . 17.1 m -116.88 121.95 32.09 Favored Pre-proline 0 C--N 1.321 -0.653 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.366 178.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.562 ' HA ' ' HA ' ' A' ' 15' ' ' GLU . 50.7 Cg_exo . . . . . 0 C--O 1.233 0.243 0 C-N-CA 122.733 2.289 . . . . 0.0 112.235 -179.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 . . . . . 0 N--CA 1.462 0.148 0 CA-C-O 121.005 0.431 . . . . 0.0 111.202 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 89.2 m -86.42 131.16 34.26 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.504 -0.771 . . . . 0.0 109.239 177.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.409 ' HE ' ' CD ' ' A' ' 15' ' ' GLU . 71.2 mtt-85 -134.27 148.66 50.84 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-O 121.116 0.484 . . . . 0.0 111.143 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.466 ' HA ' ' O ' ' A' ' 24' ' ' ARG . 54.1 mtmt -79.68 126.14 30.55 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.347 -0.842 . . . . 0.0 112.225 -178.757 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 76.56 -48.32 2.56 Favored Glycine 0 N--CA 1.451 -0.361 0 N-CA-C 115.396 0.918 . . . . 0.0 115.396 177.608 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 26.4 p-80 -167.45 162.5 14.58 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 117.709 0.755 . . . . 0.0 112.672 -178.445 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.548 ' HB3' ' HB2' ' A' ' 15' ' ' GLU . 3.5 m -76.3 165.53 24.74 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 114.315 -1.312 . . . . 0.0 110.669 179.061 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.501 ' HG2' ' OE1' ' A' ' 15' ' ' GLU . 9.9 ptmm? -89.56 156.73 18.42 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 107.8 -1.185 . . . . 0.0 107.8 176.806 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 39.7 mmt180 -52.01 114.16 1.23 Allowed 'General case' 0 C--O 1.236 0.388 0 CA-C-O 120.894 0.378 . . . . 0.0 110.197 -179.707 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 127.36 -31.72 3.74 Favored Glycine 0 N--CA 1.446 -0.664 0 C-N-CA 120.85 -0.69 . . . . 0.0 112.657 -178.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.548 ' HB2' ' HB3' ' A' ' 11' ' ' CYS . 63.4 mt-10 -90.22 142.81 27.35 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-O 121.477 0.656 . . . . 0.0 111.715 -179.269 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.475 ' HD2' ' O ' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -105.83 137.59 43.46 Favored 'General case' 0 C--N 1.313 -1.006 0 CA-C-N 114.793 -1.094 . . . . 0.0 108.468 178.397 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 27.7 t -65.01 123.93 18.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-O 121.164 0.507 . . . . 0.0 111.027 -178.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.434 ' O ' ' HD3' ' A' ' 18' ' ' ARG . 4.2 tmt_? -98.48 -35.33 10.3 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 108.517 -0.92 . . . . 0.0 108.517 179.119 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 173.19 -158.5 28.18 Favored Glycine 0 N--CA 1.448 -0.547 0 CA-C-N 115.285 -0.871 . . . . 0.0 112.342 179.622 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 7.9 p -106.27 143.5 34.3 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-O 120.599 0.238 . . . . 0.0 110.948 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.406 ' SG ' ' HB2' ' A' ' 27' ' ' TYR . 58.4 m -98.21 -38.03 9.45 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.522 0.677 . . . . 0.0 110.347 179.513 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 171.24 -157.12 27.6 Favored Glycine 0 N--CA 1.441 -1.019 0 CA-C-N 115.194 -0.912 . . . . 0.0 111.063 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.474 ' O ' ' HB2' ' A' ' 24' ' ' ARG . 49.9 mm -61.87 110.28 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-O 120.575 0.226 . . . . 0.0 110.477 179.606 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.474 ' HB2' ' O ' ' A' ' 23' ' ' ILE . 19.4 mmt85 72.28 14.92 5.42 Favored 'General case' 0 N--CA 1.465 0.291 0 N-CA-C 113.291 0.849 . . . . 0.0 113.291 179.608 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 19.5 m-85 -127.49 132.57 49.96 Favored 'General case' 0 CA--C 1.511 -0.525 0 CA-C-N 118.704 0.684 . . . . 0.0 110.954 179.081 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.425 ' N ' HD12 ' A' ' 26' ' ' LEU . 6.1 mp -116.41 143.19 45.88 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 115.069 -0.969 . . . . 0.0 109.368 179.345 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.406 ' HB2' ' SG ' ' A' ' 21' ' ' CYS . 2.1 t80 -95.44 113.57 25.25 Favored 'General case' 0 C--N 1.314 -0.952 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 179.766 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.4 m -116.9 145.11 43.8 Favored 'General case' 0 C--N 1.314 -0.948 0 CA-C-O 121.228 0.537 . . . . 0.0 112.014 -178.608 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 8.8 m -130.53 130.08 22.88 Favored Pre-proline 0 C--N 1.321 -0.633 0 CA-C-N 115.395 -0.82 . . . . 0.0 108.983 179.055 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.5 ' HA ' ' HA ' ' A' ' 15' ' ' GLU . 82.8 Cg_exo . . . . . 0 C--O 1.235 0.348 0 C-N-CA 123.479 2.786 . . . . 0.0 113.615 -179.667 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 47.0 m-85 . . . . . 0 N--CA 1.452 -0.352 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 96.1 m -79.19 128.32 33.15 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.149 0.5 . . . . 0.0 109.892 178.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.47 ' HG3' ' HA ' ' A' ' 11' ' ' CYS . 32.4 mmt180 -123.63 143.09 50.45 Favored 'General case' 0 C--N 1.311 -1.077 0 CA-C-N 115.438 -0.801 . . . . 0.0 109.663 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 20.8 ptmt -88.09 123.54 32.87 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-O 121.15 0.5 . . . . 0.0 111.699 -179.239 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 78.28 -45.0 2.5 Favored Glycine 0 N--CA 1.452 -0.272 0 CA-C-N 115.732 -0.667 . . . . 0.0 114.053 178.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -167.23 156.6 10.45 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.833 0.349 . . . . 0.0 111.321 -179.424 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.595 ' SG ' HG22 ' A' ' 17' ' ' VAL . 4.6 m -69.21 161.46 29.15 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.257 -0.883 . . . . 0.0 111.563 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.407 ' HD2' ' N ' ' A' ' 13' ' ' ARG . 2.7 tmmm? -75.71 143.06 42.29 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 107.173 -1.417 . . . . 0.0 107.173 177.505 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.407 ' N ' ' HD2' ' A' ' 12' ' ' LYS . 26.8 mmm180 -48.42 105.34 0.07 Allowed 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 120.857 0.36 . . . . 0.0 111.274 -179.162 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 126.21 -23.63 5.77 Favored Glycine 0 N--CA 1.448 -0.559 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.344 -179.151 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.538 ' HA ' ' HA ' ' A' ' 30' ' ' PRO . 78.8 mt-10 -90.33 131.52 36.08 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-O 121.35 0.595 . . . . 0.0 111.11 -179.504 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 92.0 mtt180 -92.32 136.67 33.01 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.148 -0.933 . . . . 0.0 110.701 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.595 HG22 ' SG ' ' A' ' 11' ' ' CYS . 13.0 t -67.79 123.07 20.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-O 121.245 0.545 . . . . 0.0 110.846 179.756 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 7.7 tpm_? -102.97 -33.24 9.37 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.385 179.067 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -176.13 -159.37 21.71 Favored Glycine 0 N--CA 1.447 -0.616 0 CA-C-N 115.572 -0.74 . . . . 0.0 112.207 179.557 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 11.7 p -111.91 142.88 43.75 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 120.717 0.294 . . . . 0.0 111.181 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 42.7 m -97.67 -38.81 9.37 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.243 0.544 . . . . 0.0 110.725 179.404 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 171.92 -151.04 13.99 Favored Glycine 0 N--CA 1.444 -0.807 0 C-N-CA 120.716 -0.755 . . . . 0.0 112.054 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.452 ' H ' HD11 ' A' ' 23' ' ' ILE . 4.3 mp -61.55 103.64 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 120.892 0.377 . . . . 0.0 110.68 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.49 ' HA ' ' NE ' ' A' ' 24' ' ' ARG . 0.0 OUTLIER 67.96 22.93 8.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.275 -0.875 . . . . 0.0 112.133 -179.905 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 51.6 m-85 -124.15 132.11 53.6 Favored 'General case' 0 CA--C 1.512 -0.484 0 N-CA-C 109.727 -0.472 . . . . 0.0 109.727 178.793 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.441 ' N ' HD12 ' A' ' 26' ' ' LEU . 4.8 mp -118.42 140.51 49.74 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.495 -179.452 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -91.33 110.3 21.59 Favored 'General case' 0 C--N 1.317 -0.813 0 N-CA-C 107.702 -1.222 . . . . 0.0 107.702 179.09 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 4.8 m -120.97 136.55 54.95 Favored 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 113.179 0.807 . . . . 0.0 113.179 -176.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.413 ' HA ' ' HD3' ' A' ' 30' ' ' PRO . 1.6 m -105.42 126.82 29.91 Favored Pre-proline 0 C--N 1.323 -0.557 0 CA-C-N 115.657 -0.702 . . . . 0.0 110.406 177.876 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.538 ' HA ' ' HA ' ' A' ' 15' ' ' GLU . 37.8 Cg_exo . . . . . 0 C--O 1.234 0.3 0 C-N-CA 123.218 2.612 . . . . 0.0 113.161 -179.33 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 80.8 m-85 . . . . . 0 C--O 1.233 0.221 0 CA-C-O 120.751 0.31 . . . . 0.0 111.074 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 86.7 m -79.83 132.3 36.08 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 177.728 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.457 ' HG3' ' HA ' ' A' ' 11' ' ' CYS . 33.8 mmt180 -125.89 137.88 53.76 Favored 'General case' 0 C--N 1.313 -0.994 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 179.739 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.605 ' H ' ' HD3' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -88.53 127.95 35.55 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-O 121.245 0.545 . . . . 0.0 110.587 -179.826 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 87.4 -52.2 4.27 Favored Glycine 0 N--CA 1.45 -0.398 0 CA-C-N 115.319 -0.855 . . . . 0.0 112.958 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -174.75 157.78 2.54 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.992 0.425 . . . . 0.0 111.096 179.539 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.583 ' SG ' HG22 ' A' ' 17' ' ' VAL . 3.2 m -69.41 164.92 21.94 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 114.973 -1.012 . . . . 0.0 112.03 -179.323 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 50.8 tptt -71.4 161.4 31.12 Favored 'General case' 0 N--CA 1.451 -0.396 0 N-CA-C 108.456 -0.942 . . . . 0.0 108.456 178.022 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 18.9 mmt85 -65.87 69.97 0.05 Allowed 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 121.104 0.478 . . . . 0.0 111.589 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 163.19 -18.11 0.14 Allowed Glycine 0 N--CA 1.441 -0.995 0 CA-C-N 115.977 -0.556 . . . . 0.0 112.325 -179.4 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.564 ' HB2' ' HB3' ' A' ' 11' ' ' CYS . 60.0 mt-10 -88.33 132.34 34.45 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-O 121.709 0.766 . . . . 0.0 111.821 -179.2 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 8.8 tpt180 -89.77 126.39 35.65 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-N 114.541 -1.209 . . . . 0.0 109.791 178.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.583 HG22 ' SG ' ' A' ' 11' ' ' CYS . 17.0 t -62.71 120.59 9.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 121.081 0.467 . . . . 0.0 110.863 -179.867 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.582 ' HD2' ' SG ' ' A' ' 29' ' ' CYS . 49.5 ttt85 -96.78 -35.45 10.96 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.417 -0.81 . . . . 0.0 109.328 179.34 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 177.82 -156.29 19.34 Favored Glycine 0 N--CA 1.448 -0.562 0 CA-C-N 115.292 -0.867 . . . . 0.0 112.458 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 12.3 p -109.62 142.53 40.62 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 120.702 0.287 . . . . 0.0 111.405 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 54.1 m -98.79 -38.39 9.08 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.363 0.602 . . . . 0.0 110.491 179.331 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 175.64 -157.39 23.71 Favored Glycine 0 N--CA 1.443 -0.889 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.612 179.705 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.509 ' O ' ' HB2' ' A' ' 24' ' ' ARG . 48.9 mm -63.3 103.15 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 120.638 0.256 . . . . 0.0 110.8 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.509 ' HB2' ' O ' ' A' ' 23' ' ' ILE . 0.0 OUTLIER 77.09 14.74 1.92 Allowed 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 115.354 -0.839 . . . . 0.0 112.616 -179.949 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 36.8 m-85 -123.51 132.17 53.84 Favored 'General case' 0 CA--C 1.513 -0.454 0 C-N-CA 120.415 -0.514 . . . . 0.0 109.631 178.649 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.0 mp -116.78 141.8 47.75 Favored 'General case' 0 C--N 1.312 -1.053 0 CA-C-N 115.5 -0.773 . . . . 0.0 109.936 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -90.13 111.88 23.17 Favored 'General case' 0 C--N 1.317 -0.837 0 N-CA-C 107.793 -1.188 . . . . 0.0 107.793 178.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 4.6 m -119.44 140.62 50.14 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-O 121.163 0.506 . . . . 0.0 112.184 -177.356 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.582 ' SG ' ' HD2' ' A' ' 18' ' ' ARG . 21.0 m -112.51 120.67 40.71 Favored Pre-proline 0 C--N 1.322 -0.625 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.246 178.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.554 ' HA ' ' HA ' ' A' ' 15' ' ' GLU . 31.3 Cg_exo . . . . . 0 N--CA 1.464 -0.219 0 C-N-CA 122.649 2.232 . . . . 0.0 112.059 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 . . . . . 0 N--CA 1.455 -0.192 0 CA-C-O 120.992 0.425 . . . . 0.0 111.367 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.401 ' HA ' ' O ' ' A' ' 26' ' ' LEU . 84.6 m -84.78 133.13 34.36 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.237 177.913 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 60.1 mtt-85 -140.34 144.37 36.26 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-O 121.13 0.491 . . . . 0.0 110.458 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.41 ' HA ' ' O ' ' A' ' 24' ' ' ARG . 60.5 pttt -86.1 131.04 34.34 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.723 -179.094 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 81.49 -49.61 4.06 Favored Glycine 0 N--CA 1.451 -0.355 0 CA-C-N 115.456 -0.793 . . . . 0.0 114.507 178.679 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 26.4 p-80 -166.57 159.22 14.06 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.377 0.608 . . . . 0.0 112.208 -179.14 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.622 ' SG ' HG21 ' A' ' 17' ' ' VAL . 9.5 m -78.4 169.25 18.56 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 114.423 -1.262 . . . . 0.0 111.144 179.47 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 20.8 ttpp -90.73 146.22 24.17 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 107.899 -1.149 . . . . 0.0 107.899 177.096 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 38.1 tpt85 -46.05 105.29 0.06 Allowed 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 121.102 0.477 . . . . 0.0 111.231 -179.187 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 133.54 -34.36 2.43 Favored Glycine 0 N--CA 1.448 -0.525 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.939 -179.113 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.538 ' HA ' ' HA ' ' A' ' 30' ' ' PRO . 6.3 mt-10 -93.55 136.6 33.66 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.957 0.408 . . . . 0.0 110.68 -179.878 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 34.6 tpt85 -111.96 134.94 53.2 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.221 -0.445 . . . . 0.0 109.801 179.536 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.622 HG21 ' SG ' ' A' ' 11' ' ' CYS . 21.6 t -55.52 127.34 14.27 Favored 'Isoleucine or valine' 0 C--O 1.236 0.373 0 CA-C-O 121.043 0.449 . . . . 0.0 111.037 -179.401 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.641 ' HE ' ' HA ' ' A' ' 18' ' ' ARG . 3.5 mmp_? -117.84 -28.23 6.0 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.949 179.447 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -166.87 -162.17 17.83 Favored Glycine 0 N--CA 1.445 -0.708 0 C-N-CA 120.345 -0.931 . . . . 0.0 112.137 179.19 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 11.8 p -116.49 143.28 45.78 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 110.442 -0.207 . . . . 0.0 110.442 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.8 t -94.21 -41.06 9.68 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.782 0.801 . . . . 0.0 109.565 179.644 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 174.46 -155.6 21.52 Favored Glycine 0 N--CA 1.439 -1.162 0 CA-C-N 114.775 -1.102 . . . . 0.0 111.125 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.651 ' H ' HD11 ' A' ' 23' ' ' ILE . 4.3 mp -61.1 109.98 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-O 120.708 0.29 . . . . 0.0 110.686 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.487 ' HA ' ' NE ' ' A' ' 24' ' ' ARG . 14.1 mmp_? 72.47 14.94 5.21 Favored 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 113.645 0.979 . . . . 0.0 113.645 179.37 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 40.6 m-85 -127.05 132.76 50.61 Favored 'General case' 0 CA--C 1.512 -0.499 0 CA-C-N 118.826 0.739 . . . . 0.0 110.535 178.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.482 ' N ' HD12 ' A' ' 26' ' ' LEU . 5.3 mp -110.48 143.93 40.05 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-N 115.084 -0.962 . . . . 0.0 109.653 -179.787 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -95.15 110.06 22.07 Favored 'General case' 0 C--N 1.314 -0.967 0 N-CA-C 108.109 -1.071 . . . . 0.0 108.109 179.295 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 13.5 m -108.25 139.04 43.53 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 115.576 -0.738 . . . . 0.0 112.239 -177.522 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.525 ' SG ' ' HG3' ' A' ' 18' ' ' ARG . 59.0 m -122.76 133.95 24.73 Favored Pre-proline 0 C--N 1.32 -0.708 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 178.303 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.538 ' HA ' ' HA ' ' A' ' 15' ' ' GLU . 49.8 Cg_exo . . . . . 0 N--CA 1.465 -0.176 0 C-N-CA 122.459 2.106 . . . . 0.0 111.987 -179.58 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 39.8 m-85 . . . . . 0 N--CA 1.452 -0.348 0 N-CA-C 109.43 -0.581 . . . . 0.0 109.43 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 93.6 m -84.44 128.32 34.52 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 121.099 0.476 . . . . 0.0 110.325 179.389 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 61.8 mtt-85 -137.11 140.78 42.15 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.112 179.555 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 25.3 pttm -84.16 132.95 34.63 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.444 -179.359 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 88.23 -52.73 4.11 Favored Glycine 0 N--CA 1.449 -0.475 0 CA-C-N 115.681 -0.69 . . . . 0.0 114.061 179.092 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -173.28 163.44 4.57 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.122 0.487 . . . . 0.0 112.184 -179.417 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.501 ' SG ' HG21 ' A' ' 17' ' ' VAL . 3.7 m -72.14 169.47 16.01 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 114.857 -1.065 . . . . 0.0 111.171 179.625 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 50.2 tptt -74.07 161.02 30.46 Favored 'General case' 0 N--CA 1.45 -0.463 0 N-CA-C 108.174 -1.047 . . . . 0.0 108.174 177.508 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 20.4 mmm180 -66.0 70.13 0.06 Allowed 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 120.89 0.376 . . . . 0.0 111.82 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 160.63 -18.96 0.21 Allowed Glycine 0 N--CA 1.444 -0.81 0 CA-C-N 116.024 -0.535 . . . . 0.0 112.011 -179.5 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.558 ' HA ' ' HA ' ' A' ' 30' ' ' PRO . 93.6 mt-10 -84.53 141.73 30.52 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-O 121.431 0.634 . . . . 0.0 111.914 -179.264 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 36.0 mmt180 -101.62 132.73 47.14 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.238 -0.892 . . . . 0.0 109.273 178.737 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.501 HG21 ' SG ' ' A' ' 11' ' ' CYS . 17.7 t -62.98 124.85 18.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 121.075 0.464 . . . . 0.0 110.934 -179.257 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 28.7 tpt180 -101.46 -33.46 9.96 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.066 179.16 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 176.17 -160.33 28.12 Favored Glycine 0 N--CA 1.444 -0.801 0 CA-C-N 115.223 -0.898 . . . . 0.0 112.068 179.618 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 15.8 p -104.89 142.21 35.16 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-O 120.461 0.172 . . . . 0.0 110.962 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 7.9 t -90.5 -42.02 11.08 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 122.089 0.947 . . . . 0.0 108.93 178.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 173.0 -157.46 26.59 Favored Glycine 0 N--CA 1.438 -1.201 0 CA-C-N 114.192 -1.367 . . . . 0.0 110.558 179.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.447 ' O ' ' HB2' ' A' ' 24' ' ' ARG . 61.0 mt -61.27 109.96 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-O 120.576 0.227 . . . . 0.0 110.882 179.802 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.447 ' HB2' ' O ' ' A' ' 23' ' ' ILE . 68.3 mtp85 72.71 18.62 4.18 Favored 'General case' 0 N--CA 1.465 0.316 0 N-CA-C 113.436 0.902 . . . . 0.0 113.436 179.191 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 62.6 m-85 -132.13 132.35 43.17 Favored 'General case' 0 CA--C 1.513 -0.466 0 CA-C-N 118.611 0.641 . . . . 0.0 110.236 178.652 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 86.7 mt -109.5 143.53 39.01 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-N 115.206 -0.906 . . . . 0.0 110.022 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -101.12 107.92 19.46 Favored 'General case' 0 C--N 1.315 -0.909 0 N-CA-C 107.816 -1.179 . . . . 0.0 107.816 179.173 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 6.4 m -120.06 139.36 52.65 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 113.281 0.845 . . . . 0.0 113.281 -176.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.4 m -105.98 125.74 32.39 Favored Pre-proline 0 C--N 1.326 -0.415 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.33 177.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.558 ' HA ' ' HA ' ' A' ' 15' ' ' GLU . 34.3 Cg_exo . . . . . 0 C--O 1.235 0.34 0 C-N-CA 122.761 2.307 . . . . 0.0 111.853 179.697 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 29.6 m-85 . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.82 0.343 . . . . 0.0 111.141 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 68.5 m -101.35 136.0 41.91 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 177.705 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.521 ' HD2' ' HA ' ' A' ' 11' ' ' CYS . 0.0 OUTLIER -132.63 156.0 47.72 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.725 179.705 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.448 ' HG2' ' CZ ' ' A' ' 25' ' ' PHE . 59.8 mttp -81.3 129.37 34.58 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.501 -179.514 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 74.56 -47.94 1.83 Allowed Glycine 0 N--CA 1.452 -0.258 0 N-CA-C 115.379 0.912 . . . . 0.0 115.379 177.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . 0.502 ' HA ' HD13 ' A' ' 26' ' ' LEU . 0.5 OUTLIER -167.49 166.4 14.29 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 117.507 0.654 . . . . 0.0 112.481 -178.395 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.67 ' SG ' HG23 ' A' ' 17' ' ' VAL . 3.2 m -75.86 161.54 28.9 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.24 -0.891 . . . . 0.0 111.194 179.653 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.635 ' HB3' ' OE1' ' A' ' 15' ' ' GLU . 0.0 OUTLIER -84.82 148.38 26.34 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 107.402 -1.333 . . . . 0.0 107.402 176.958 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 24.3 mmt85 -46.63 111.33 0.37 Allowed 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 120.948 0.404 . . . . 0.0 111.63 -178.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 123.86 -26.3 5.94 Favored Glycine 0 N--CA 1.447 -0.591 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.719 -179.593 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.635 ' OE1' ' HB3' ' A' ' 12' ' ' LYS . 26.7 mt-10 -96.11 132.05 41.9 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-O 121.5 0.667 . . . . 0.0 111.469 -179.093 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 4.3 tpm_? -95.5 136.36 35.98 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.14 -0.936 . . . . 0.0 110.25 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.67 HG23 ' SG ' ' A' ' 11' ' ' CYS . 17.2 t -63.86 123.51 16.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 120.696 0.284 . . . . 0.0 110.608 179.62 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 4.6 tmt_? -96.54 -33.93 11.64 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 108.729 -0.841 . . . . 0.0 108.729 179.047 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 173.72 176.6 42.29 Favored Glycine 0 N--CA 1.443 -0.841 0 CA-C-N 115.17 -0.923 . . . . 0.0 111.631 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 8.2 p -76.8 141.32 40.78 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 116.597 0.198 . . . . 0.0 110.888 179.71 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.433 ' HB3' ' CB ' ' A' ' 25' ' ' PHE . 5.9 t -96.89 -43.75 7.34 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.686 0.755 . . . . 0.0 109.326 179.346 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 176.32 -157.86 23.86 Favored Glycine 0 N--CA 1.442 -0.909 0 CA-C-N 114.8 -1.091 . . . . 0.0 111.221 179.722 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.469 ' O ' ' HB2' ' A' ' 24' ' ' ARG . 48.5 mm -62.36 103.22 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-O 120.603 0.24 . . . . 0.0 110.875 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.469 ' HB2' ' O ' ' A' ' 23' ' ' ILE . 10.1 mpt_? 74.14 22.91 2.21 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 115.39 -0.823 . . . . 0.0 112.506 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.448 ' CZ ' ' HG2' ' A' ' 8' ' ' LYS . 14.8 m-85 -130.76 133.33 45.91 Favored 'General case' 0 CA--C 1.51 -0.592 0 C-N-CA 120.463 -0.495 . . . . 0.0 110.246 179.052 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.502 HD13 ' HA ' ' A' ' 10' ' ' HIS . 85.5 mt -116.76 134.48 54.74 Favored 'General case' 0 C--N 1.314 -0.966 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.131 179.393 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 13.7 t80 -91.16 111.75 23.35 Favored 'General case' 0 C--N 1.312 -1.051 0 N-CA-C 107.443 -1.317 . . . . 0.0 107.443 178.697 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 4.7 m -121.16 145.01 48.27 Favored 'General case' 0 C--N 1.314 -0.971 0 N-CA-C 112.556 0.576 . . . . 0.0 112.556 -177.385 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.417 ' HA ' ' HD3' ' A' ' 30' ' ' PRO . 35.0 m -113.23 127.87 26.32 Favored Pre-proline 0 C--N 1.323 -0.549 0 CA-C-N 115.141 -0.936 . . . . 0.0 109.405 178.508 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.568 ' HA ' ' HA ' ' A' ' 15' ' ' GLU . 37.6 Cg_exo . . . . . 0 C--O 1.235 0.328 0 C-N-CA 122.604 2.202 . . . . 0.0 111.949 -179.708 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 46.2 m-85 . . . . . 0 N--CA 1.451 -0.385 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 64.9 m -80.03 129.02 34.17 Favored 'General case' 0 C--N 1.317 -0.837 0 N-CA-C 109.759 -0.459 . . . . 0.0 109.759 178.471 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.405 ' HD2' ' HA ' ' A' ' 11' ' ' CYS . 27.9 mtt-85 -133.53 139.59 46.7 Favored 'General case' 0 C--N 1.312 -1.044 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.365 179.799 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 12.1 ptmm? -82.63 127.26 33.21 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.412 -0.813 . . . . 0.0 112.234 -178.729 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 86.57 -51.03 4.3 Favored Glycine 0 N--CA 1.451 -0.344 0 CA-C-N 115.612 -0.722 . . . . 0.0 113.592 178.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -174.8 164.63 3.56 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.879 0.371 . . . . 0.0 111.141 -179.753 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.405 ' HA ' ' HD2' ' A' ' 7' ' ' ARG . 3.4 m -70.16 160.74 31.54 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.435 -0.802 . . . . 0.0 111.019 179.696 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.487 ' HB3' ' OE1' ' A' ' 15' ' ' GLU . 20.3 ttpp -84.24 152.76 24.0 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 107.872 -1.159 . . . . 0.0 107.872 177.63 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 26.0 mmm180 -54.09 101.87 0.05 Allowed 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 140.01 -34.21 2.03 Favored Glycine 0 N--CA 1.445 -0.739 0 C-N-CA 120.99 -0.624 . . . . 0.0 112.117 -178.419 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.551 ' HA ' ' HA ' ' A' ' 30' ' ' PRO . 3.0 mp0 -93.26 135.88 34.06 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-O 121.297 0.57 . . . . 0.0 111.953 -179.626 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 58.1 mtp85 -96.87 138.77 33.9 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.126 -0.943 . . . . 0.0 109.982 178.651 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 13.9 t -63.97 129.09 27.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 121.161 0.505 . . . . 0.0 111.037 -179.771 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 31.4 tpt180 -111.55 -31.55 6.97 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.445 -0.798 . . . . 0.0 109.505 179.19 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -179.78 -159.58 23.89 Favored Glycine 0 N--CA 1.447 -0.627 0 CA-C-N 115.586 -0.734 . . . . 0.0 112.199 179.666 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 11.6 p -112.76 143.15 44.48 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 120.6 0.238 . . . . 0.0 111.043 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 56.1 m -96.29 -37.4 10.53 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.455 0.645 . . . . 0.0 110.448 179.422 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 171.56 -157.37 27.72 Favored Glycine 0 N--CA 1.441 -0.994 0 CA-C-N 115.261 -0.881 . . . . 0.0 111.305 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.477 ' O ' ' HB2' ' A' ' 24' ' ' ARG . 4.3 mp -62.67 108.43 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 N-CA-C 110.163 -0.31 . . . . 0.0 110.163 179.736 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.477 ' HB2' ' O ' ' A' ' 23' ' ' ILE . 20.2 mmt85 72.67 17.7 4.44 Favored 'General case' 0 N--CA 1.464 0.274 0 O-C-N 124.041 0.838 . . . . 0.0 113.204 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 44.1 m-85 -129.17 133.09 47.44 Favored 'General case' 0 CA--C 1.512 -0.482 0 CA-C-N 118.32 0.509 . . . . 0.0 109.962 178.454 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.435 HD13 ' N ' ' A' ' 26' ' ' LEU . 5.2 mp -117.36 143.14 46.27 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.326 -179.419 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -94.16 110.47 22.19 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 179.297 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.3 m -119.02 135.12 54.79 Favored 'General case' 0 C--N 1.315 -0.893 0 N-CA-C 112.874 0.694 . . . . 0.0 112.874 -177.216 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.448 ' HA ' ' HD3' ' A' ' 30' ' ' PRO . 1.5 m -105.58 131.11 22.03 Favored Pre-proline 0 C--N 1.321 -0.655 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.315 177.671 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.551 ' HA ' ' HA ' ' A' ' 15' ' ' GLU . 34.4 Cg_exo . . . . . 0 C--O 1.231 0.151 0 C-N-CA 122.99 2.46 . . . . 0.0 112.124 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 68.9 m-85 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.971 0.415 . . . . 0.0 111.468 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 90.8 m -79.83 131.47 35.89 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.225 -0.658 . . . . 0.0 109.225 177.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.53 ' HG3' ' HA ' ' A' ' 11' ' ' CYS . 35.0 mmt180 -124.82 142.11 51.66 Favored 'General case' 0 C--N 1.312 -1.038 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 25.6 pttm -86.46 126.14 34.21 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 121.286 0.565 . . . . 0.0 111.274 -179.353 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 78.29 -47.86 3.0 Favored Glycine 0 N--CA 1.451 -0.325 0 CA-C-N 115.499 -0.773 . . . . 0.0 113.856 179.415 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 30.1 p-80 -167.16 156.85 10.79 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.874 0.369 . . . . 0.0 111.127 -179.765 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.544 ' HB3' ' HB2' ' A' ' 15' ' ' GLU . 3.6 m -70.61 163.3 27.29 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.051 -0.977 . . . . 0.0 111.318 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 23.8 tptm -72.36 147.59 46.12 Favored 'General case' 0 N--CA 1.447 -0.607 0 N-CA-C 107.368 -1.345 . . . . 0.0 107.368 177.006 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 29.8 tpt180 -56.14 92.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.955 0.407 . . . . 0.0 110.402 -179.518 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 146.12 -27.56 1.71 Allowed Glycine 0 N--CA 1.443 -0.861 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.931 -178.639 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.544 ' HB2' ' HB3' ' A' ' 11' ' ' CYS . 59.7 mt-10 -84.69 135.19 34.26 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-O 121.626 0.727 . . . . 0.0 111.686 -179.484 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.51 126.81 37.76 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-N 114.747 -1.115 . . . . 0.0 109.029 179.149 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.518 HG22 ' SG ' ' A' ' 11' ' ' CYS . 17.8 t -59.94 123.48 12.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 121.048 0.452 . . . . 0.0 111.155 -179.639 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.438 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 43.7 tpt85 -101.46 -33.05 10.12 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.617 -0.72 . . . . 0.0 109.718 179.495 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 175.03 -155.02 19.77 Favored Glycine 0 N--CA 1.447 -0.614 0 CA-C-N 115.49 -0.777 . . . . 0.0 112.327 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 10.7 p -111.81 143.22 43.1 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 120.607 0.241 . . . . 0.0 111.08 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 51.4 m -98.34 -38.34 9.28 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.364 0.602 . . . . 0.0 110.369 179.337 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 172.57 -155.96 24.2 Favored Glycine 0 N--CA 1.44 -1.035 0 CA-C-N 115.306 -0.861 . . . . 0.0 111.445 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.475 ' O ' ' HB2' ' A' ' 24' ' ' ARG . 62.2 mt -61.38 108.01 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-O 120.66 0.267 . . . . 0.0 110.765 179.771 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.497 ' HA ' ' NE ' ' A' ' 24' ' ' ARG . 13.5 mmp_? 72.68 14.02 5.14 Favored 'General case' 0 N--CA 1.466 0.361 0 N-CA-C 113.321 0.86 . . . . 0.0 113.321 179.561 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 40.1 m-85 -127.48 134.04 49.85 Favored 'General case' 0 CA--C 1.513 -0.463 0 C-N-CA 120.076 -0.65 . . . . 0.0 110.342 178.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.439 ' N ' HD12 ' A' ' 26' ' ' LEU . 5.1 mp -117.5 143.68 45.82 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 115.198 -0.91 . . . . 0.0 109.684 -179.864 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -89.96 114.37 26.19 Favored 'General case' 0 C--N 1.316 -0.873 0 N-CA-C 108.01 -1.108 . . . . 0.0 108.01 179.208 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.8 m -120.56 139.48 52.88 Favored 'General case' 0 C--N 1.312 -1.05 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.936 -177.672 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.438 ' SG ' ' HB2' ' A' ' 18' ' ' ARG . 21.6 m -111.62 122.22 37.88 Favored Pre-proline 0 C--N 1.32 -0.687 0 CA-C-N 115.745 -0.661 . . . . 0.0 109.703 179.267 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.525 ' HA ' ' HA ' ' A' ' 15' ' ' GLU . 31.3 Cg_exo . . . . . 0 N--CA 1.465 -0.153 0 C-N-CA 122.434 2.09 . . . . 0.0 111.379 179.773 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 17.1 m-85 . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 69.9 m -84.02 126.5 33.11 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.009 0.433 . . . . 0.0 110.247 178.701 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.555 ' HD2' ' HA ' ' A' ' 11' ' ' CYS . 43.3 mtt-85 -136.11 143.2 44.43 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.55 179.115 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.507 ' HA ' ' O ' ' A' ' 24' ' ' ARG . 18.8 ptpt -82.87 131.48 35.19 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.817 -0.629 . . . . 0.0 112.378 -178.583 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 76.18 -50.22 2.7 Favored Glycine 0 C--O 1.227 -0.308 0 CA-C-N 115.35 -0.841 . . . . 0.0 114.271 178.642 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 26.1 p-80 -169.31 160.9 9.76 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.094 0.473 . . . . 0.0 111.034 -179.276 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.555 ' HA ' ' HD2' ' A' ' 7' ' ' ARG . 90.3 m -100.87 -176.86 3.29 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 114.977 -1.01 . . . . 0.0 110.441 179.441 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.424 ' HZ2' ' CD ' ' A' ' 15' ' ' GLU . 7.7 ptpp? -78.29 163.1 26.02 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.755 -0.378 . . . . 0.0 110.288 -179.11 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.69 ' H ' ' HD2' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -69.15 53.86 0.1 Allowed 'General case' 0 N--CA 1.471 0.619 0 CA-C-O 122.09 0.948 . . . . 0.0 110.952 179.48 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -166.24 -30.36 0.02 OUTLIER Glycine 0 N--CA 1.44 -1.035 0 CA-C-N 114.689 -1.141 . . . . 0.0 110.836 -179.706 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.547 ' HB2' ' HB3' ' A' ' 11' ' ' CYS . 29.7 mt-10 -87.86 125.49 34.51 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-O 121.342 0.591 . . . . 0.0 109.713 179.106 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.5 ptp180 -97.64 131.98 43.7 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-N 115.221 -0.9 . . . . 0.0 110.023 -178.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.42 HG23 ' SG ' ' A' ' 28' ' ' CYS . 39.4 t -64.23 122.61 15.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-O 121.017 0.437 . . . . 0.0 110.88 -179.333 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 62.7 ttt-85 -105.4 -28.7 10.7 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.663 179.586 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -172.52 -169.83 35.62 Favored Glycine 0 N--CA 1.445 -0.735 0 C-N-CA 120.614 -0.803 . . . . 0.0 112.2 179.726 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 16.4 p -103.5 142.3 34.51 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 120.532 0.206 . . . . 0.0 110.911 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.446 ' SG ' ' HB2' ' A' ' 27' ' ' TYR . 62.4 m -96.69 -37.92 10.13 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.523 0.678 . . . . 0.0 110.296 179.425 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 170.96 -158.07 29.38 Favored Glycine 0 N--CA 1.44 -1.034 0 CA-C-N 115.196 -0.911 . . . . 0.0 111.162 179.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.514 ' O ' ' HB2' ' A' ' 24' ' ' ARG . 60.3 mt -62.16 106.85 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-O 120.532 0.206 . . . . 0.0 110.628 179.758 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.514 ' HB2' ' O ' ' A' ' 23' ' ' ILE . 51.8 mmt-85 74.51 17.6 3.04 Favored 'General case' 0 N--CA 1.464 0.264 0 N-CA-C 113.16 0.8 . . . . 0.0 113.16 179.692 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 55.5 m-85 -127.6 132.16 49.84 Favored 'General case' 0 CA--C 1.514 -0.431 0 C-N-CA 120.035 -0.666 . . . . 0.0 110.71 178.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.505 HD22 ' N ' ' A' ' 26' ' ' LEU . 2.8 mm? -113.26 141.86 46.5 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 115.139 -0.937 . . . . 0.0 110.136 -179.829 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.446 ' HB2' ' SG ' ' A' ' 21' ' ' CYS . 2.6 t80 -98.94 105.35 17.48 Favored 'General case' 0 C--N 1.315 -0.902 0 N-CA-C 108.515 -0.92 . . . . 0.0 108.515 179.59 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.42 ' SG ' HG23 ' A' ' 17' ' ' VAL . 7.2 m -114.4 139.33 49.58 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 113.549 0.944 . . . . 0.0 113.549 -177.86 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.7 m -110.05 129.52 23.85 Favored Pre-proline 0 C--N 1.322 -0.59 0 CA-C-N 115.167 -0.924 . . . . 0.0 109.129 176.461 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.521 ' HA ' ' HA ' ' A' ' 15' ' ' GLU . 54.0 Cg_exo . . . . . 0 C--O 1.234 0.298 0 C-N-CA 123.221 2.614 . . . . 0.0 112.481 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 37.7 m-85 . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.868 0.366 . . . . 0.0 111.56 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 90.4 m -80.66 131.99 35.54 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 177.206 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.519 ' HD2' ' HA ' ' A' ' 11' ' ' CYS . 66.6 mtt-85 -136.12 143.79 44.74 Favored 'General case' 0 C--N 1.313 -0.993 0 CA-C-O 121.21 0.528 . . . . 0.0 111.063 -179.859 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.468 ' HB2' ' CE2' ' A' ' 25' ' ' PHE . 37.4 ttpt -87.88 124.86 34.1 Favored 'General case' 0 C--N 1.315 -0.908 0 CA-C-N 115.262 -0.881 . . . . 0.0 112.098 -178.562 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 82.24 -45.06 3.28 Favored Glycine 0 N--CA 1.451 -0.337 0 N-CA-C 115.232 0.853 . . . . 0.0 115.232 177.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 31.3 p-80 -165.15 158.13 16.3 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 117.692 0.746 . . . . 0.0 112.537 -178.629 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.631 ' SG ' HG22 ' A' ' 17' ' ' VAL . 15.1 m -87.85 170.92 10.77 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 114.645 -1.161 . . . . 0.0 110.808 179.186 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.444 ' HG2' ' N ' ' A' ' 13' ' ' ARG . 13.4 ttmt -71.66 155.41 40.54 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.598 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.444 ' N ' ' HG2' ' A' ' 12' ' ' LYS . 38.7 mmt180 -67.63 62.17 0.07 Allowed 'General case' 0 N--CA 1.469 0.475 0 CA-C-O 121.481 0.658 . . . . 0.0 111.077 179.648 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 175.87 -24.17 0.06 OUTLIER Glycine 0 N--CA 1.441 -1.029 0 CA-C-N 115.371 -0.831 . . . . 0.0 111.73 -179.178 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.603 ' HG2' ' HG3' ' A' ' 30' ' ' PRO . 41.5 mt-10 -93.8 131.53 39.08 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-O 121.273 0.559 . . . . 0.0 110.803 -179.839 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 4.1 ptm180 -94.99 140.44 29.95 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 115.182 -0.917 . . . . 0.0 110.16 179.645 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.631 HG22 ' SG ' ' A' ' 11' ' ' CYS . 23.2 t -66.53 119.6 12.13 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 CA-C-O 120.973 0.416 . . . . 0.0 111.066 -179.811 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 34.8 ttm180 -91.37 -37.2 13.38 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 108.32 -0.993 . . . . 0.0 108.32 177.767 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -175.69 -158.62 19.89 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.261 -0.971 . . . . 0.0 112.724 179.527 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 11.5 p -105.61 142.62 35.04 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 120.657 0.265 . . . . 0.0 111.292 -179.79 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.407 ' SG ' ' HB2' ' A' ' 27' ' ' TYR . 37.8 m -99.31 -37.63 9.18 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.343 0.592 . . . . 0.0 110.706 179.538 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 175.59 -159.51 27.37 Favored Glycine 0 N--CA 1.442 -0.955 0 CA-C-N 115.497 -0.774 . . . . 0.0 111.501 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.491 ' O ' ' HB2' ' A' ' 24' ' ' ARG . 60.2 mt -62.21 103.14 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-O 120.54 0.21 . . . . 0.0 110.837 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.491 ' HB2' ' O ' ' A' ' 23' ' ' ILE . 65.6 mtp180 76.19 18.34 1.94 Allowed 'General case' 0 N--CA 1.467 0.383 0 O-C-N 124.231 0.957 . . . . 0.0 112.935 179.59 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.468 ' CE2' ' HB2' ' A' ' 8' ' ' LYS . 57.7 m-85 -127.53 132.98 49.83 Favored 'General case' 0 CA--C 1.514 -0.438 0 CA-C-N 118.217 0.462 . . . . 0.0 109.868 178.373 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.3 mp -115.0 144.36 43.73 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.21 -179.304 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.407 ' HB2' ' SG ' ' A' ' 21' ' ' CYS . 7.0 t80 -92.67 108.79 20.25 Favored 'General case' 0 C--N 1.315 -0.891 0 N-CA-C 108.037 -1.097 . . . . 0.0 108.037 179.182 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 3.7 m -110.0 144.26 38.81 Favored 'General case' 0 C--N 1.319 -0.74 0 O-C-N 123.782 0.676 . . . . 0.0 112.184 -177.615 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 33.2 m -127.6 128.32 23.96 Favored Pre-proline 0 C--N 1.324 -0.542 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.395 178.723 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.603 ' HG3' ' HG2' ' A' ' 15' ' ' GLU . 44.9 Cg_exo . . . . . 0 C--O 1.232 0.225 0 C-N-CA 122.958 2.439 . . . . 0.0 112.417 -179.605 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 73.3 m-85 . . . . . 0 CA--C 1.522 -0.123 0 CA-C-O 121.032 0.444 . . . . 0.0 111.901 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 97.8 m -83.65 132.58 34.87 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.353 -0.84 . . . . 0.0 109.389 177.742 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 54.7 mtt-85 -137.86 141.48 40.73 Favored 'General case' 0 C--N 1.313 -0.998 0 CA-C-O 121.067 0.461 . . . . 0.0 110.343 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.553 ' O ' ' HD3' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -83.39 132.17 35.0 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.576 -0.738 . . . . 0.0 112.633 -178.687 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 83.57 -52.43 4.72 Favored Glycine 0 N--CA 1.451 -0.356 0 CA-C-N 115.205 -0.907 . . . . 0.0 114.642 178.374 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -169.54 161.77 9.73 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.126 0.488 . . . . 0.0 112.12 -179.1 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 7.5 m -77.59 167.79 21.04 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 114.886 -1.052 . . . . 0.0 111.506 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.475 ' HG2' ' N ' ' A' ' 13' ' ' ARG . 8.7 ttmt -71.19 154.9 41.33 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 107.918 -1.141 . . . . 0.0 107.918 177.327 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.475 ' N ' ' HG2' ' A' ' 12' ' ' LYS . 23.7 mmm180 -65.2 69.64 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 121.019 0.438 . . . . 0.0 111.564 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.408 ' N ' ' O ' ' A' ' 12' ' ' LYS . . . 166.18 -23.94 0.14 Allowed Glycine 0 N--CA 1.443 -0.844 0 CA-C-N 115.747 -0.661 . . . . 0.0 111.868 -179.246 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.554 ' HA ' ' HA ' ' A' ' 30' ' ' PRO . 51.3 mt-10 -90.31 136.76 32.85 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-O 121.43 0.633 . . . . 0.0 110.999 -179.65 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -94.36 134.22 37.09 Favored 'General case' 0 C--N 1.313 -0.998 0 CA-C-N 114.951 -1.022 . . . . 0.0 110.219 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 15.9 t -62.28 120.8 9.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 120.92 0.391 . . . . 0.0 110.473 179.62 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.419 ' HD2' ' HD2' ' A' ' 27' ' ' TYR . 0.0 OUTLIER -95.52 -33.84 12.27 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 179.414 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 178.96 -160.36 25.92 Favored Glycine 0 N--CA 1.447 -0.615 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.463 179.802 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 14.3 p -106.38 142.85 35.36 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 120.656 0.265 . . . . 0.0 111.082 -179.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.483 ' SG ' ' HB2' ' A' ' 27' ' ' TYR . 56.9 m -100.9 -36.42 9.06 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.33 0.586 . . . . 0.0 110.415 179.393 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 173.28 -162.44 33.64 Favored Glycine 0 N--CA 1.439 -1.13 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.288 179.728 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.515 ' O ' ' HB2' ' A' ' 24' ' ' ARG . 60.3 mt -64.13 103.88 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 N-CA-C 110.589 -0.152 . . . . 0.0 110.589 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.515 ' HB2' ' O ' ' A' ' 23' ' ' ILE . 67.1 mtm180 81.41 15.44 0.55 Allowed 'General case' 0 N--CA 1.469 0.505 0 O-C-N 124.447 1.092 . . . . 0.0 112.642 179.668 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 61.6 m-85 -128.63 132.15 48.12 Favored 'General case' 0 CA--C 1.516 -0.361 0 C-N-CA 120.334 -0.546 . . . . 0.0 110.289 179.064 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 83.1 mt -115.69 143.6 45.13 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.386 -179.725 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.483 ' HB2' ' SG ' ' A' ' 21' ' ' CYS . 6.4 t80 -94.65 111.72 23.49 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 107.861 -1.163 . . . . 0.0 107.861 178.855 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 4.2 m -115.88 140.62 49.05 Favored 'General case' 0 C--N 1.315 -0.916 0 N-CA-C 112.813 0.672 . . . . 0.0 112.813 -177.457 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.438 ' HA ' ' HD3' ' A' ' 30' ' ' PRO . 60.8 m -113.71 125.15 29.92 Favored Pre-proline 0 C--N 1.323 -0.574 0 CA-C-N 115.305 -0.861 . . . . 0.0 108.903 178.439 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.554 ' HA ' ' HA ' ' A' ' 15' ' ' GLU . 33.6 Cg_exo . . . . . 0 CA--C 1.52 -0.183 0 C-N-CA 122.833 2.355 . . . . 0.0 112.977 -179.187 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 82.5 m-85 . . . . . 0 CA--C 1.52 -0.184 0 CA-C-O 120.866 0.365 . . . . 0.0 111.383 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 90.8 m -79.39 130.56 35.55 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 177.801 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.568 ' HG3' ' HA ' ' A' ' 11' ' ' CYS . 34.8 mmt180 -123.77 144.62 49.58 Favored 'General case' 0 C--N 1.312 -1.036 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.73 -179.77 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 7.1 ptpp? -91.34 122.43 33.94 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-O 121.152 0.501 . . . . 0.0 111.457 -179.51 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 75.83 -42.08 1.53 Allowed Glycine 0 C--O 1.227 -0.316 0 CA-C-N 115.58 -0.736 . . . . 0.0 114.186 179.169 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 27.9 p-80 -164.59 154.35 13.8 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.048 0.451 . . . . 0.0 111.52 -179.134 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.568 ' HA ' ' HG3' ' A' ' 7' ' ' ARG . 3.9 m -75.67 164.52 26.21 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 114.8 -1.091 . . . . 0.0 110.57 179.353 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.496 ' HG2' ' CD ' ' A' ' 15' ' ' GLU . 17.4 pttm -76.76 152.95 35.43 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 107.485 -1.302 . . . . 0.0 107.485 177.646 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 23.0 mmt85 -50.83 102.24 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.916 0.389 . . . . 0.0 111.415 -178.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 130.01 -30.51 3.51 Favored Glycine 0 N--CA 1.443 -0.841 0 C-N-CA 120.403 -0.903 . . . . 0.0 113.638 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.583 ' HA ' ' HA ' ' A' ' 30' ' ' PRO . 76.8 mt-10 -79.88 133.54 36.25 Favored 'General case' 0 CA--C 1.512 -0.484 0 CA-C-O 121.652 0.739 . . . . 0.0 112.085 -178.849 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 7.4 mpt_? -94.86 133.68 38.32 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 114.573 -1.194 . . . . 0.0 110.247 179.229 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 25.4 t -64.02 120.18 10.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 121.315 0.579 . . . . 0.0 111.03 -179.503 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.428 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 7.5 tpm_? -96.82 -35.44 10.94 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.556 -0.747 . . . . 0.0 109.324 179.084 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -179.98 -156.73 18.67 Favored Glycine 0 N--CA 1.447 -0.597 0 CA-C-N 115.394 -0.821 . . . . 0.0 112.315 179.746 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 11.2 p -109.5 143.05 39.67 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 120.57 0.224 . . . . 0.0 111.136 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 31.8 m -98.49 -38.42 9.19 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.489 0.661 . . . . 0.0 110.328 179.41 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 172.32 -157.94 28.0 Favored Glycine 0 N--CA 1.44 -1.058 0 CA-C-N 115.27 -0.877 . . . . 0.0 111.282 179.761 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.484 ' H ' HD12 ' A' ' 23' ' ' ILE . 4.3 mp -62.48 109.54 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 110.409 -0.219 . . . . 0.0 110.409 179.804 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.438 ' HB2' ' O ' ' A' ' 23' ' ' ILE . 69.3 mtp85 72.98 18.26 4.0 Favored 'General case' 0 CA--C 1.532 0.283 0 O-C-N 124.05 0.844 . . . . 0.0 112.991 179.585 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 71.8 m-85 -133.44 133.4 42.28 Favored 'General case' 0 CA--C 1.514 -0.442 0 CA-C-N 118.325 0.511 . . . . 0.0 110.345 178.681 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.435 HD13 ' N ' ' A' ' 26' ' ' LEU . 5.2 mp -118.91 142.63 47.59 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.444 -0.798 . . . . 0.0 109.629 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -88.0 109.69 20.02 Favored 'General case' 0 C--N 1.316 -0.891 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 179.388 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 9.4 m -113.95 135.98 53.4 Favored 'General case' 0 C--N 1.313 -0.983 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.574 -178.413 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.428 ' SG ' ' HB2' ' A' ' 18' ' ' ARG . 46.5 m -106.46 120.62 47.94 Favored Pre-proline 0 C--N 1.315 -0.899 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 178.538 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.583 ' HA ' ' HA ' ' A' ' 15' ' ' GLU . 35.0 Cg_exo . . . . . 0 N--CA 1.461 -0.436 0 C-N-CA 122.482 2.122 . . . . 0.0 111.524 -179.659 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 32.9 m-85 . . . . . 0 C--O 1.233 0.214 0 CA-C-O 120.695 0.283 . . . . 0.0 111.514 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 67.5 m -84.51 133.93 34.45 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 177.298 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.514 ' HB2' ' SG ' ' A' ' 11' ' ' CYS . 2.4 mpt_? -134.63 160.12 39.1 Favored 'General case' 0 C--N 1.312 -1.039 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.977 178.899 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 57.4 pttt -105.1 123.16 47.33 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.219 0.533 . . . . 0.0 111.432 -179.594 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 75.84 -43.8 1.71 Allowed Glycine 0 CA--C 1.519 0.302 0 CA-C-N 115.747 -0.66 . . . . 0.0 114.157 179.22 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 28.8 p-80 -163.35 156.73 19.24 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.951 0.405 . . . . 0.0 111.121 -179.383 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.553 ' HB3' ' HB2' ' A' ' 15' ' ' GLU . 90.7 m -102.93 -178.56 3.7 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 115.088 -0.96 . . . . 0.0 111.047 179.756 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.455 ' HD3' ' OE2' ' A' ' 15' ' ' GLU . 28.9 mtpp -76.04 160.58 29.66 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.683 -179.422 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -68.48 62.28 0.1 Allowed 'General case' 0 N--CA 1.47 0.55 0 CA-C-O 121.834 0.826 . . . . 0.0 110.957 179.365 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 179.47 -29.29 0.06 OUTLIER Glycine 0 N--CA 1.438 -1.209 0 CA-C-N 115.011 -0.995 . . . . 0.0 110.827 -179.071 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.553 ' HB2' ' HB3' ' A' ' 11' ' ' CYS . 37.0 mt-10 -84.61 125.06 32.13 Favored 'General case' 0 N--CA 1.443 -0.803 0 CA-C-O 121.471 0.653 . . . . 0.0 110.0 179.472 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.466 ' HB3' ' NH1' ' A' ' 16' ' ' ARG . 16.4 ttp-105 -100.0 127.75 46.17 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 115.03 -0.986 . . . . 0.0 110.082 -179.281 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 36.3 t -57.87 125.34 13.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-O 121.366 0.603 . . . . 0.0 111.595 -179.352 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.555 ' HD2' ' SG ' ' A' ' 29' ' ' CYS . 34.4 ttt-85 -106.56 -32.96 7.83 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.12 -0.945 . . . . 0.0 109.407 179.224 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -176.21 -160.31 23.35 Favored Glycine 0 N--CA 1.447 -0.633 0 CA-C-N 115.325 -0.852 . . . . 0.0 112.265 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 7.9 p -107.38 144.71 33.88 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 120.741 0.305 . . . . 0.0 111.372 -179.697 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.408 ' SG ' ' HB2' ' A' ' 27' ' ' TYR . 56.9 m -98.85 -37.71 9.33 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.46 0.648 . . . . 0.0 110.199 179.304 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 172.27 -157.6 27.47 Favored Glycine 0 N--CA 1.441 -0.995 0 CA-C-N 115.211 -0.904 . . . . 0.0 111.178 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.475 ' O ' ' HB2' ' A' ' 24' ' ' ARG . 62.6 mt -62.42 109.81 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-O 120.557 0.217 . . . . 0.0 110.512 179.663 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.475 ' HB2' ' O ' ' A' ' 23' ' ' ILE . 85.7 mtt-85 73.38 14.51 4.43 Favored 'General case' 0 N--CA 1.466 0.338 0 O-C-N 123.976 0.798 . . . . 0.0 113.119 179.628 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 42.8 m-85 -129.32 135.92 49.37 Favored 'General case' 0 CA--C 1.514 -0.424 0 CA-C-N 118.526 0.603 . . . . 0.0 110.649 179.123 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.519 HD11 ' N ' ' A' ' 26' ' ' LEU . 0.0 OUTLIER -121.72 146.11 47.36 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.439 -0.801 . . . . 0.0 110.059 179.379 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.408 ' HB2' ' SG ' ' A' ' 21' ' ' CYS . 2.6 t80 -96.37 111.98 23.88 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.715 -178.631 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 83.6 m -111.31 145.33 39.0 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-O 121.225 0.536 . . . . 0.0 112.165 -179.551 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.555 ' SG ' ' HD2' ' A' ' 18' ' ' ARG . 20.1 m -120.48 132.94 23.98 Favored Pre-proline 0 C--N 1.317 -0.835 0 N-CA-C 108.348 -0.982 . . . . 0.0 108.348 177.694 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_exo . . . . . 0 C--O 1.237 0.445 0 C-N-CA 123.231 2.621 . . . . 0.0 113.496 -178.901 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 31.4 m-85 . . . . . 0 N--CA 1.453 -0.296 0 CA-C-O 120.834 0.35 . . . . 0.0 110.448 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.46 ' SG ' ' HB3' ' A' ' 25' ' ' PHE . 43.5 t -90.03 140.83 29.26 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 108.186 -1.042 . . . . 0.0 108.186 178.056 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.459 ' O ' HD23 ' A' ' 26' ' ' LEU . 50.9 mtt-85 -141.0 146.83 37.78 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.111 0.481 . . . . 0.0 111.401 -178.253 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.507 ' HB3' ' CE2' ' A' ' 25' ' ' PHE . 5.8 ptmm? -91.84 113.56 25.86 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.324 -0.853 . . . . 0.0 111.452 -179.872 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 108.9 -55.45 0.51 Allowed Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.895 -0.669 . . . . 0.0 113.453 178.73 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -176.29 161.77 2.33 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.947 0.403 . . . . 0.0 111.475 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.493 ' SG ' HD13 ' A' ' 26' ' ' LEU . 4.2 m -75.53 164.52 26.26 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.158 -0.928 . . . . 0.0 111.064 179.791 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 28.0 mtpp -78.89 162.63 25.9 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.34 177.668 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 39.0 mmt180 -67.52 67.29 0.09 Allowed 'General case' 0 N--CA 1.467 0.418 0 CA-C-O 121.166 0.508 . . . . 0.0 110.99 179.514 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 175.25 -26.42 0.07 OUTLIER Glycine 0 N--CA 1.443 -0.865 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.362 -179.089 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.587 ' HA ' ' HA ' ' A' ' 30' ' ' PRO . 16.5 mt-10 -90.52 152.17 21.04 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-O 121.171 0.51 . . . . 0.0 111.705 -179.878 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 8.2 ptp180 -113.54 139.49 48.94 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 108.035 -1.098 . . . . 0.0 108.035 179.112 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.453 HG23 ' SG ' ' A' ' 11' ' ' CYS . 23.7 t -67.24 122.21 17.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-O 121.012 0.434 . . . . 0.0 110.979 -178.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.56 ' HD2' ' O ' ' A' ' 18' ' ' ARG . 4.7 tmm_? -98.98 -35.82 9.94 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 108.449 -0.945 . . . . 0.0 108.449 179.083 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 179.87 -178.48 48.58 Favored Glycine 0 N--CA 1.444 -0.8 0 CA-C-N 115.191 -0.913 . . . . 0.0 111.655 179.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 7.2 p -99.75 142.43 31.23 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-O 120.57 0.224 . . . . 0.0 111.312 179.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.451 ' HB2' ' CB ' ' A' ' 25' ' ' PHE . 90.7 m -87.73 -44.53 11.09 Favored 'General case' 0 CA--C 1.514 -0.438 0 CA-C-O 121.894 0.854 . . . . 0.0 109.239 178.732 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 171.52 -152.35 17.6 Favored Glycine 0 N--CA 1.439 -1.166 0 CA-C-N 114.311 -1.313 . . . . 0.0 111.064 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.72 ' H ' HD12 ' A' ' 23' ' ' ILE . 4.5 mp -60.11 106.76 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-O 120.731 0.3 . . . . 0.0 111.062 -179.827 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.507 ' O ' ' HA ' ' A' ' 8' ' ' LYS . 76.6 mtt85 72.94 18.54 3.98 Favored 'General case' 0 N--CA 1.467 0.419 0 N-CA-C 113.795 1.035 . . . . 0.0 113.795 179.032 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.507 ' CE2' ' HB3' ' A' ' 8' ' ' LYS . 33.1 m-85 -134.54 138.38 44.59 Favored 'General case' 0 CA--C 1.516 -0.365 0 CA-C-N 118.898 0.772 . . . . 0.0 109.866 178.554 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.493 HD13 ' SG ' ' A' ' 11' ' ' CYS . 1.1 pt? -134.98 142.95 46.59 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.188 0.518 . . . . 0.0 110.369 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -91.46 114.67 27.26 Favored 'General case' 0 C--O 1.242 0.67 0 CA-C-N 115.433 -0.803 . . . . 0.0 109.291 -179.492 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 6.1 m -113.8 141.48 47.26 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.419 -0.809 . . . . 0.0 112.163 -178.185 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 31.2 m -121.27 129.3 25.32 Favored Pre-proline 0 C--N 1.322 -0.588 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 178.324 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.587 ' HA ' ' HA ' ' A' ' 15' ' ' GLU . 72.5 Cg_exo . . . . . 0 C--N 1.346 0.444 0 C-N-CA 122.728 2.285 . . . . 0.0 112.257 -179.751 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 78.7 m-85 . . . . . 0 CA--C 1.519 -0.213 0 CA-C-O 120.914 0.388 . . . . 0.0 111.099 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 88.6 m -79.67 129.76 34.76 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 177.644 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.55 ' HG3' ' HA ' ' A' ' 11' ' ' CYS . 35.1 mmt180 -121.99 141.79 50.98 Favored 'General case' 0 C--N 1.311 -1.07 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.807 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.405 ' HB3' ' CE2' ' A' ' 25' ' ' PHE . 54.5 pttt -88.24 123.27 32.69 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.337 -179.294 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 78.43 -47.33 2.95 Favored Glycine 0 N--CA 1.451 -0.338 0 CA-C-N 115.625 -0.716 . . . . 0.0 113.664 179.363 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -166.62 155.09 10.36 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.14 0.495 . . . . 0.0 111.635 -179.756 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.559 ' HB3' ' HB2' ' A' ' 15' ' ' GLU . 3.9 m -71.66 166.7 21.36 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 114.915 -1.039 . . . . 0.0 111.282 -179.862 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 32.7 mmmt -74.13 160.26 31.47 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 177.729 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 28.9 tpt180 -64.4 75.96 0.04 OUTLIER 'General case' 0 CA--C 1.532 0.27 0 CA-C-O 121.042 0.448 . . . . 0.0 111.188 -179.5 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 159.16 -25.09 0.33 Allowed Glycine 0 N--CA 1.444 -0.784 0 C-N-CA 121.19 -0.529 . . . . 0.0 112.077 -179.285 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.559 ' HB2' ' HB3' ' A' ' 11' ' ' CYS . 52.1 mt-10 -86.01 138.22 32.13 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-O 121.562 0.696 . . . . 0.0 111.799 -179.131 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.41 ' HD3' ' HA ' ' A' ' 16' ' ' ARG . 26.7 mmt180 -102.07 131.45 48.53 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 115.023 -0.99 . . . . 0.0 110.393 178.599 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.543 HG21 ' SG ' ' A' ' 11' ' ' CYS . 10.8 t -64.79 127.26 25.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.591 -179.793 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 60.9 ttp85 -118.59 -22.47 7.49 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.153 179.251 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -167.78 -169.1 30.86 Favored Glycine 0 N--CA 1.446 -0.651 0 C-N-CA 119.983 -1.103 . . . . 0.0 112.82 179.549 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 16.4 p -112.7 143.87 43.18 Favored 'General case' 0 C--N 1.318 -0.769 0 C-N-CA 122.419 0.288 . . . . 0.0 110.31 179.724 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 55.8 m -102.31 -37.29 8.14 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.296 0.57 . . . . 0.0 110.897 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 170.09 -158.39 30.38 Favored Glycine 0 N--CA 1.442 -0.966 0 C-N-CA 120.753 -0.737 . . . . 0.0 111.424 179.731 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.486 ' O ' ' HB2' ' A' ' 24' ' ' ARG . 60.0 mt -62.46 107.17 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 N-CA-C 110.563 -0.162 . . . . 0.0 110.563 179.654 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.486 ' HB2' ' O ' ' A' ' 23' ' ' ILE . 79.7 mtp180 74.8 17.63 2.82 Favored 'General case' 0 N--CA 1.466 0.345 0 O-C-N 124.151 0.907 . . . . 0.0 113.003 179.662 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.405 ' CE2' ' HB3' ' A' ' 8' ' ' LYS . 58.5 m-85 -129.94 130.94 45.74 Favored 'General case' 0 CA--C 1.512 -0.49 0 C-N-CA 120.198 -0.601 . . . . 0.0 110.293 178.592 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 78.2 mt -115.18 141.35 48.13 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-N 115.085 -0.961 . . . . 0.0 110.35 -179.646 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -88.5 105.82 17.88 Favored 'General case' 0 C--N 1.316 -0.874 0 N-CA-C 108.137 -1.06 . . . . 0.0 108.137 178.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.4 m -111.99 139.9 47.11 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 115.492 -0.776 . . . . 0.0 111.864 -177.701 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 13.6 m -112.47 123.08 34.84 Favored Pre-proline 0 C--N 1.318 -0.797 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 178.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.524 ' HA ' ' HA ' ' A' ' 15' ' ' GLU . 38.7 Cg_exo . . . . . 0 N--CA 1.464 -0.234 0 C-N-CA 122.626 2.217 . . . . 0.0 111.574 -179.829 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 26.6 m-85 . . . . . 0 N--CA 1.45 -0.448 0 N-CA-C 110.096 -0.335 . . . . 0.0 110.096 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 95.7 m -81.67 126.96 32.4 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.026 178.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 62.2 mtt-85 -135.28 139.89 44.74 Favored 'General case' 0 C--N 1.312 -1.056 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.253 179.447 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.638 ' H ' ' HD3' ' A' ' 8' ' ' LYS . 0.3 OUTLIER -81.33 134.64 35.61 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 115.501 -0.772 . . . . 0.0 111.694 -178.867 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 85.81 -53.7 4.71 Favored Glycine 0 N--CA 1.449 -0.498 0 CA-C-N 115.396 -0.82 . . . . 0.0 114.096 178.822 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -174.3 164.77 3.97 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.065 0.459 . . . . 0.0 111.694 -179.534 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.568 ' SG ' HG23 ' A' ' 17' ' ' VAL . 3.3 m -71.21 161.68 30.69 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.084 -0.962 . . . . 0.0 111.135 179.67 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 21.8 tttm -77.98 147.61 34.8 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 107.596 -1.261 . . . . 0.0 107.596 176.803 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 27.7 mmm180 -50.6 110.81 0.45 Allowed 'General case' 0 C--O 1.238 0.45 0 N-CA-C 110.047 -0.353 . . . . 0.0 110.047 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 124.4 -21.75 6.75 Favored Glycine 0 N--CA 1.445 -0.757 0 C-N-CA 120.878 -0.677 . . . . 0.0 112.81 -178.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.599 ' HA ' ' HA ' ' A' ' 30' ' ' PRO . 56.5 mt-10 -94.98 137.27 34.26 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-O 121.707 0.765 . . . . 0.0 111.871 -178.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 15.2 tpt180 -97.05 132.58 42.71 Favored 'General case' 0 C--N 1.314 -0.967 0 CA-C-N 114.547 -1.206 . . . . 0.0 109.391 178.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.568 HG23 ' SG ' ' A' ' 11' ' ' CYS . 13.5 t -62.92 124.56 17.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-O 121.077 0.465 . . . . 0.0 110.944 -179.578 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 29.3 tpt180 -98.65 -33.9 10.77 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.355 -0.839 . . . . 0.0 108.941 178.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 176.5 -160.21 27.62 Favored Glycine 0 N--CA 1.446 -0.683 0 CA-C-N 115.305 -0.861 . . . . 0.0 112.122 179.64 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 13.1 p -106.74 142.46 36.34 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 120.602 0.239 . . . . 0.0 110.931 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 55.0 m -96.8 -37.31 10.32 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.429 0.633 . . . . 0.0 110.37 179.514 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 172.86 -160.66 31.67 Favored Glycine 0 N--CA 1.439 -1.139 0 CA-C-N 115.195 -0.911 . . . . 0.0 111.143 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.51 ' O ' ' HB2' ' A' ' 24' ' ' ARG . 44.7 mm -63.61 106.92 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 N-CA-C 110.385 -0.228 . . . . 0.0 110.385 179.702 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.51 ' HB2' ' O ' ' A' ' 23' ' ' ILE . 90.3 mtm-85 77.39 15.98 1.66 Allowed 'General case' 0 N--CA 1.468 0.45 0 O-C-N 124.249 0.968 . . . . 0.0 112.948 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 55.0 m-85 -128.21 131.71 48.83 Favored 'General case' 0 CA--C 1.512 -0.507 0 CA-C-N 118.637 0.653 . . . . 0.0 110.466 178.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.485 HD11 ' N ' ' A' ' 26' ' ' LEU . 5.5 mp -112.8 142.78 45.05 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 115.13 -0.941 . . . . 0.0 110.383 -179.773 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -96.55 109.8 22.32 Favored 'General case' 0 C--N 1.316 -0.86 0 N-CA-C 107.884 -1.154 . . . . 0.0 107.884 179.275 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.8 m -123.23 141.61 51.8 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 113.663 0.986 . . . . 0.0 113.663 -177.153 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.4 m -115.36 129.13 25.36 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 115.179 -0.919 . . . . 0.0 110.159 177.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.599 ' HA ' ' HA ' ' A' ' 15' ' ' GLU . 32.9 Cg_exo . . . . . 0 C--O 1.233 0.241 0 C-N-CA 122.558 2.172 . . . . 0.0 111.699 179.5 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 54.0 m-85 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 121.425 0.631 . . . . 0.0 111.855 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.485 ' HA ' ' O ' ' A' ' 26' ' ' LEU . 72.0 m -90.59 134.14 34.59 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.225 -0.898 . . . . 0.0 109.547 177.763 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.638 ' HB2' ' O ' ' A' ' 10' ' ' HIS . 70.9 mtt-85 -144.79 144.74 31.32 Favored 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 108.809 -0.811 . . . . 0.0 108.809 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 53.2 tttm -66.74 102.21 0.91 Allowed 'General case' 0 C--N 1.316 -0.856 0 N-CA-C 113.428 0.899 . . . . 0.0 113.428 -177.486 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 50.77 40.97 42.6 Favored Glycine 0 C--O 1.228 -0.245 0 CA-C-N 114.112 -1.403 . . . . 0.0 115.87 177.109 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . 0.638 ' O ' ' HB2' ' A' ' 7' ' ' ARG . 1.1 p-80 179.4 163.02 0.9 Allowed 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 117.135 0.468 . . . . 0.0 110.594 178.311 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.54 ' HB3' ' HB2' ' A' ' 15' ' ' GLU . 5.0 m -124.32 161.04 26.71 Favored 'General case' 0 C--N 1.314 -0.975 0 CA-C-N 115.855 -0.612 . . . . 0.0 110.15 179.851 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.605 ' HB3' ' CD ' ' A' ' 15' ' ' GLU . 18.3 tttt -64.98 150.23 48.39 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 107.517 -1.29 . . . . 0.0 107.517 177.088 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 37.2 mmt180 -58.21 96.97 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 179.652 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 131.42 -19.91 4.75 Favored Glycine 0 N--CA 1.445 -0.735 0 C-N-CA 120.92 -0.657 . . . . 0.0 112.179 -178.476 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.61 ' HA ' ' HA ' ' A' ' 30' ' ' PRO . 98.2 mt-10 -81.11 131.67 35.31 Favored 'General case' 0 CA--C 1.515 -0.394 0 CA-C-O 121.413 0.625 . . . . 0.0 111.808 -179.473 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 38.9 ttm180 -94.92 133.09 39.03 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.126 -0.943 . . . . 0.0 110.001 178.306 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 46.5 t -57.77 125.11 13.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 121.27 0.557 . . . . 0.0 111.272 -179.776 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.444 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 13.5 tpt180 -99.56 -35.96 9.69 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.184 -0.916 . . . . 0.0 109.279 179.382 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.537 ' O ' HD11 ' A' ' 26' ' ' LEU . . . 163.17 -157.16 29.2 Favored Glycine 0 N--CA 1.446 -0.689 0 CA-C-N 114.881 -1.054 . . . . 0.0 111.465 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 10.9 p -94.19 142.53 27.29 Favored 'General case' 0 C--N 1.317 -0.84 0 O-C-N 122.968 -0.136 . . . . 0.0 110.825 179.401 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 13.7 t -90.5 -46.57 8.24 Favored 'General case' 0 CA--C 1.513 -0.453 0 CA-C-O 121.984 0.897 . . . . 0.0 109.056 179.172 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 173.98 -153.76 17.85 Favored Glycine 0 N--CA 1.436 -1.347 0 CA-C-N 114.143 -1.39 . . . . 0.0 110.608 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 49.6 mm -58.97 108.23 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-O 120.862 0.363 . . . . 0.0 111.284 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 22.6 mmt85 69.17 23.37 6.42 Favored 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 113.718 1.007 . . . . 0.0 113.718 178.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 71.1 m-85 -133.93 136.08 43.99 Favored 'General case' 0 CA--C 1.507 -0.676 0 CA-C-O 121.711 0.767 . . . . 0.0 111.436 178.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.537 HD11 ' O ' ' A' ' 19' ' ' GLY . 41.0 tp -104.61 143.09 33.54 Favored 'General case' 0 C--N 1.311 -1.079 0 CA-C-N 114.081 -1.418 . . . . 0.0 108.572 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 10.8 t80 -106.79 112.54 25.57 Favored 'General case' 0 C--N 1.301 -1.507 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 -179.14 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.7 m -120.18 137.91 53.92 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-O 121.122 0.487 . . . . 0.0 111.671 -178.585 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.444 ' SG ' ' HB2' ' A' ' 18' ' ' ARG . 82.6 m -102.54 118.9 57.59 Favored Pre-proline 0 C--N 1.32 -0.678 0 N-CA-C 108.752 -0.833 . . . . 0.0 108.752 178.186 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.61 ' HA ' ' HA ' ' A' ' 15' ' ' GLU . 34.3 Cg_exo . . . . . 0 CA--C 1.512 -0.605 0 C-N-CA 122.725 2.284 . . . . 0.0 112.972 -178.668 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.678 0 N-CA-C 111.835 -0.506 . . . . 0.0 111.835 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 93.3 mt -76.74 76.97 3.37 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.061 0.458 . . . . 0.0 110.811 179.659 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.402 ' HA ' HD12 ' A' ' 3' ' ' LEU . 48.6 tp -164.79 126.95 2.21 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.637 -179.745 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.602 ' HB2' ' CZ ' ' A' ' 27' ' ' TYR . 26.2 m -124.85 160.0 29.79 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.098 -179.624 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 15.7 m-85 -137.02 151.5 49.03 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.301 0.572 . . . . 0.0 112.011 -179.054 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 98.2 m -80.99 135.95 35.94 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.14 -0.936 . . . . 0.0 109.365 177.432 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 74.3 mmt-85 -124.63 146.86 48.85 Favored 'General case' 0 C--N 1.311 -1.107 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.551 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.665 ' HG2' ' CE2' ' A' ' 25' ' ' PHE . 43.9 mtpt -91.27 119.84 31.67 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.779 -179.123 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 75.73 -44.74 1.79 Allowed Glycine 0 N--CA 1.452 -0.283 0 CA-C-N 116.043 -0.526 . . . . 0.0 114.234 179.168 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -167.54 157.04 10.26 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.153 0.501 . . . . 0.0 112.01 -179.148 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 3.6 m -79.71 165.91 22.34 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.015 -0.993 . . . . 0.0 110.786 179.743 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 50.8 mtmt -80.46 165.36 22.25 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 178.113 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -66.72 70.4 0.08 Allowed 'General case' 0 N--CA 1.466 0.375 0 CA-C-O 121.002 0.43 . . . . 0.0 111.402 179.667 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 168.83 -26.24 0.12 Allowed Glycine 0 N--CA 1.443 -0.895 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.575 -179.318 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.557 ' HA ' ' HA ' ' A' ' 30' ' ' PRO . 26.1 mt-10 -96.46 124.24 40.39 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-O 121.025 0.441 . . . . 0.0 110.427 -179.739 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.449 ' HD3' ' HA ' ' A' ' 16' ' ' ARG . 19.1 mmt85 -93.88 137.13 33.44 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.86 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 16.7 t -61.7 125.91 18.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.983 -179.682 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.89 -30.72 8.34 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.533 -0.758 . . . . 0.0 109.335 179.144 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -174.25 -161.1 23.62 Favored Glycine 0 N--CA 1.446 -0.636 0 C-N-CA 120.585 -0.817 . . . . 0.0 112.405 179.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 16.6 p -111.31 143.02 42.77 Favored 'General case' 0 C--N 1.32 -0.693 0 C-N-CA 122.201 0.2 . . . . 0.0 111.033 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 39.7 m -99.28 -35.82 9.83 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.505 0.669 . . . . 0.0 110.255 179.288 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 171.31 -159.86 31.81 Favored Glycine 0 N--CA 1.439 -1.101 0 CA-C-N 115.304 -0.862 . . . . 0.0 111.066 179.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.544 HD13 ' H ' ' A' ' 23' ' ' ILE . 4.3 mp -64.36 109.1 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 N-CA-C 109.941 -0.392 . . . . 0.0 109.941 179.496 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.492 ' HB2' ' O ' ' A' ' 23' ' ' ILE . 61.6 mtp85 75.22 16.52 2.74 Favored 'General case' 0 N--CA 1.466 0.372 0 O-C-N 124.019 0.824 . . . . 0.0 112.697 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.665 ' CE2' ' HG2' ' A' ' 8' ' ' LYS . 14.0 m-85 -128.2 132.4 48.83 Favored 'General case' 0 CA--C 1.513 -0.469 0 CA-C-O 121.121 0.486 . . . . 0.0 110.004 178.861 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 72.8 mt -117.96 140.47 49.68 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.685 -179.307 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.602 ' CZ ' ' HB2' ' A' ' 4' ' ' CYS . 3.9 t80 -89.24 107.87 19.3 Favored 'General case' 0 C--N 1.317 -0.844 0 N-CA-C 107.84 -1.17 . . . . 0.0 107.84 178.758 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 3.9 m -110.98 140.37 45.56 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.934 -177.715 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 35.0 m -114.83 121.26 35.81 Favored Pre-proline 0 C--N 1.319 -0.76 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.282 178.51 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.557 ' HA ' ' HA ' ' A' ' 15' ' ' GLU . 51.7 Cg_exo -55.68 149.58 48.73 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.862 2.374 . . . . 0.0 111.473 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.708 ' HA ' ' NE ' ' A' ' 31' ' ' ARG . 4.0 mmp_? -86.13 42.4 0.98 Allowed 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.177 0.513 . . . . 0.0 111.605 -179.253 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 14.3 tpp85 . . . . . 0 C--O 1.248 1.026 0 N-CA-C 108.371 -0.974 . . . . 0.0 108.371 179.349 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.464 ' H2 ' ' C ' ' A' ' 32' ' ' ARG . . . . . . . . 0 N--CA 1.481 1.667 0 N-CA-C 111.608 -0.597 . . . . 0.0 111.608 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 95.7 mt -75.87 65.56 1.98 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.235 0.541 . . . . 0.0 111.225 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 60.7 tp -162.49 128.9 3.54 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 108.747 -0.835 . . . . 0.0 108.747 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.635 ' HB2' ' CZ ' ' A' ' 27' ' ' TYR . 5.7 m -89.01 154.32 20.3 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-O 120.966 0.412 . . . . 0.0 110.534 -179.08 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 51.7 m-85 -133.91 142.64 47.82 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.498 -179.149 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 91.8 m -81.07 133.02 35.4 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.394 177.761 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 58.5 mtt-85 -137.82 139.59 40.05 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-O 121.06 0.457 . . . . 0.0 110.085 179.615 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.446 ' HA ' ' O ' ' A' ' 24' ' ' ARG . 0.0 OUTLIER -82.46 133.55 35.21 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 115.525 -0.761 . . . . 0.0 112.021 -178.798 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 87.12 -55.6 4.58 Favored Glycine 0 N--CA 1.451 -0.312 0 CA-C-N 115.242 -0.89 . . . . 0.0 113.355 179.423 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -175.05 165.82 3.47 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.88 0.371 . . . . 0.0 111.136 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.69 ' SG ' HG22 ' A' ' 17' ' ' VAL . 3.7 m -72.04 160.66 32.12 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.291 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.492 ' HB3' ' OE1' ' A' ' 15' ' ' GLU . 13.0 ttpp -87.24 151.14 23.41 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 107.358 -1.349 . . . . 0.0 107.358 177.01 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 53.2 mmm-85 -48.84 116.46 1.65 Allowed 'General case' 0 C--O 1.235 0.295 0 CA-C-O 120.764 0.316 . . . . 0.0 110.378 -179.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 123.36 -30.99 4.8 Favored Glycine 0 N--CA 1.445 -0.759 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.644 -178.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.547 ' HA ' ' HA ' ' A' ' 30' ' ' PRO . 3.4 mt-10 -97.73 131.29 44.4 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-O 121.257 0.551 . . . . 0.0 111.793 -179.211 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 47.4 mmm-85 -94.52 138.27 32.63 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.141 179.317 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.69 HG22 ' SG ' ' A' ' 11' ' ' CYS . 11.0 t -64.98 123.8 18.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-O 120.908 0.385 . . . . 0.0 111.14 -179.737 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.615 ' HD2' ' SG ' ' A' ' 29' ' ' CYS . 51.4 ttt-85 -100.72 -34.05 10.01 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.071 -0.715 . . . . 0.0 109.071 178.65 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 176.8 -158.05 23.7 Favored Glycine 0 N--CA 1.446 -0.639 0 CA-C-N 115.371 -0.831 . . . . 0.0 112.45 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 7.9 p -107.17 143.34 35.5 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 120.583 0.23 . . . . 0.0 111.314 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.426 ' SG ' ' HB2' ' A' ' 27' ' ' TYR . 49.9 m -99.38 -38.15 8.95 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.325 0.583 . . . . 0.0 110.513 179.436 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 175.04 -157.02 23.66 Favored Glycine 0 N--CA 1.442 -0.952 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.603 179.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.495 HG23 ' HD3' ' A' ' 24' ' ' ARG . 46.7 mm -61.54 103.6 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 120.532 0.206 . . . . 0.0 110.963 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.495 ' HD3' HG23 ' A' ' 23' ' ' ILE . 0.9 OUTLIER 74.66 15.53 3.26 Favored 'General case' 0 N--CA 1.469 0.478 0 O-C-N 124.108 0.88 . . . . 0.0 112.961 179.775 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 34.0 m-85 -124.11 133.59 53.57 Favored 'General case' 0 CA--C 1.512 -0.514 0 CA-C-N 118.479 0.581 . . . . 0.0 110.04 178.782 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.6 mp -115.28 144.13 44.2 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.028 -179.741 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.635 ' CZ ' ' HB2' ' A' ' 4' ' ' CYS . 3.9 t80 -94.43 112.56 24.34 Favored 'General case' 0 C--N 1.316 -0.867 0 N-CA-C 108.158 -1.053 . . . . 0.0 108.158 179.204 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 10.9 m -117.01 139.56 50.53 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-N 116.122 -0.49 . . . . 0.0 112.264 -177.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.615 ' SG ' ' HD2' ' A' ' 18' ' ' ARG . 38.9 m -112.25 125.76 29.57 Favored Pre-proline 0 C--N 1.32 -0.698 0 CA-C-N 115.505 -0.771 . . . . 0.0 109.672 178.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.547 ' HA ' ' HA ' ' A' ' 15' ' ' GLU . 31.2 Cg_exo -61.17 145.33 98.84 Favored 'Trans proline' 0 CA--C 1.52 -0.21 0 C-N-CA 122.879 2.386 . . . . 0.0 112.059 -179.708 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.525 ' HD3' ' O ' ' A' ' 31' ' ' ARG . 0.9 OUTLIER -60.74 -33.46 72.95 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.706 -179.861 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.464 ' C ' ' H2 ' ' A' ' 1' ' ' GLY . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.112 0 CA-C-O 117.882 -1.056 . . . . 0.0 108.854 179.403 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.506 0 N-CA-C 111.413 -0.675 . . . . 0.0 111.413 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.733 HD22 ' H ' ' A' ' 2' ' ' LEU . 1.5 pt? -78.61 54.07 1.42 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.067 0.461 . . . . 0.0 111.091 179.432 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.443 ' N ' HD21 ' A' ' 3' ' ' LEU . 2.5 pt? -167.65 137.5 2.74 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 179.768 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.512 ' HB2' ' CZ ' ' A' ' 27' ' ' TYR . 21.5 m -140.77 157.02 46.01 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.57 -179.826 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 89.6 m-85 -142.03 145.44 34.4 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.924 0.392 . . . . 0.0 111.536 -178.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 69.1 m -84.12 132.7 34.67 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.165 177.592 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.428 ' HE ' ' CD ' ' A' ' 15' ' ' GLU . 69.8 mtt-85 -136.27 143.45 44.25 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-O 121.399 0.618 . . . . 0.0 110.769 179.725 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 63.1 tttm -83.24 126.5 32.72 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.043 -0.98 . . . . 0.0 111.849 -178.66 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 88.29 -54.36 4.2 Favored Glycine 0 N--CA 1.448 -0.526 0 CA-C-N 115.558 -0.746 . . . . 0.0 114.711 178.228 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -172.02 158.2 4.61 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.576 0.584 . . . . 0.0 112.576 -178.716 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.518 ' SG ' HG21 ' A' ' 17' ' ' VAL . 3.3 m -72.92 162.39 29.55 Favored 'General case' 0 C--O 1.24 0.571 0 CA-C-N 115.054 -0.976 . . . . 0.0 111.453 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 61.0 tttp -72.36 156.45 39.07 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 108.092 -1.077 . . . . 0.0 108.092 177.283 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.533 ' CZ ' ' HA ' ' A' ' 13' ' ' ARG . 8.9 mmp_? -67.93 78.53 0.22 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.28 0.562 . . . . 0.0 110.487 -179.742 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 163.9 -22.86 0.17 Allowed Glycine 0 N--CA 1.443 -0.891 0 CA-C-N 115.067 -0.97 . . . . 0.0 111.204 -178.65 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.562 ' HA ' ' HA ' ' A' ' 30' ' ' PRO . 46.5 mt-10 -92.56 139.92 30.09 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-O 121.548 0.689 . . . . 0.0 111.571 -179.456 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -98.94 131.8 44.74 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-N 114.8 -1.091 . . . . 0.0 109.061 178.892 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.518 HG21 ' SG ' ' A' ' 11' ' ' CYS . 21.2 t -62.16 123.59 15.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 121.147 0.499 . . . . 0.0 110.851 -179.707 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.545 ' HD2' ' SG ' ' A' ' 29' ' ' CYS . 41.6 ttt85 -97.03 -36.71 10.42 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.409 -0.814 . . . . 0.0 108.864 179.096 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 177.64 -159.14 24.87 Favored Glycine 0 N--CA 1.447 -0.617 0 CA-C-N 115.192 -0.913 . . . . 0.0 112.531 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 17.0 p -105.52 141.96 36.09 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 120.658 0.266 . . . . 0.0 111.355 -179.715 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.483 ' SG ' ' HB2' ' A' ' 27' ' ' TYR . 61.9 m -100.56 -37.61 8.72 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.183 0.516 . . . . 0.0 110.812 179.281 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 174.89 -157.87 25.3 Favored Glycine 0 N--CA 1.444 -0.786 0 C-N-CA 120.752 -0.737 . . . . 0.0 111.825 179.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.507 ' O ' ' HB2' ' A' ' 24' ' ' ARG . 57.6 mt -62.12 99.83 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 120.661 0.267 . . . . 0.0 110.849 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.755 ' HE ' ' HA ' ' A' ' 24' ' ' ARG . 1.6 mmp_? 75.58 20.23 1.93 Allowed 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 115.265 -0.879 . . . . 0.0 112.903 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 43.8 m-85 -124.19 132.84 53.64 Favored 'General case' 0 CA--C 1.512 -0.502 0 N-CA-C 109.438 -0.579 . . . . 0.0 109.438 177.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 80.6 mt -117.39 142.69 46.81 Favored 'General case' 0 C--N 1.313 -1.001 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.459 -179.186 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.512 ' CZ ' ' HB2' ' A' ' 4' ' ' CYS . 3.4 t80 -94.26 110.62 22.35 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 107.583 -1.266 . . . . 0.0 107.583 178.865 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 4.4 m -117.69 143.43 46.2 Favored 'General case' 0 C--N 1.313 -0.984 0 N-CA-C 112.26 0.467 . . . . 0.0 112.26 -177.43 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.545 ' SG ' ' HD2' ' A' ' 18' ' ' ARG . 17.1 m -116.88 121.95 32.09 Favored Pre-proline 0 C--N 1.321 -0.653 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.366 178.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.562 ' HA ' ' HA ' ' A' ' 15' ' ' GLU . 50.7 Cg_exo -56.39 147.73 66.19 Favored 'Trans proline' 0 C--O 1.233 0.243 0 C-N-CA 122.733 2.289 . . . . 0.0 112.235 -179.794 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -60.26 -41.35 93.03 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.791 -179.658 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 30.1 mmm-85 . . . . . 0 C--O 1.245 0.855 0 CA-C-O 118.652 -0.69 . . . . 0.0 110.31 178.875 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.408 ' H3 ' ' C ' ' A' ' 32' ' ' ARG . . . . . . . . 0 N--CA 1.483 1.769 0 N-CA-C 111.176 -0.769 . . . . 0.0 111.176 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.479 ' HA ' HD12 ' A' ' 2' ' ' LEU . 2.6 mm? -71.51 118.84 14.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 117.101 0.45 . . . . 0.0 110.475 179.176 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.549 ' O ' ' HD2' ' A' ' 30' ' ' PRO . 34.4 tp 178.57 137.55 0.09 Allowed 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 114.878 -1.055 . . . . 0.0 108.428 -179.414 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.437 ' HB2' ' CZ ' ' A' ' 27' ' ' TYR . 37.5 m -145.87 155.8 43.13 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 120.783 0.325 . . . . 0.0 110.708 -179.626 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -146.94 146.15 30.02 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.202 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 89.2 m -86.42 131.16 34.26 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.504 -0.771 . . . . 0.0 109.239 177.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.409 ' HE ' ' CD ' ' A' ' 15' ' ' GLU . 71.2 mtt-85 -134.27 148.66 50.84 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-O 121.116 0.484 . . . . 0.0 111.143 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.466 ' HA ' ' O ' ' A' ' 24' ' ' ARG . 54.1 mtmt -79.68 126.14 30.55 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.347 -0.842 . . . . 0.0 112.225 -178.757 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 76.56 -48.32 2.56 Favored Glycine 0 N--CA 1.451 -0.361 0 N-CA-C 115.396 0.918 . . . . 0.0 115.396 177.608 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 26.4 p-80 -167.45 162.5 14.58 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 117.709 0.755 . . . . 0.0 112.672 -178.445 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.548 ' HB3' ' HB2' ' A' ' 15' ' ' GLU . 3.5 m -76.3 165.53 24.74 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 114.315 -1.312 . . . . 0.0 110.669 179.061 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.501 ' HG2' ' OE1' ' A' ' 15' ' ' GLU . 9.9 ptmm? -89.56 156.73 18.42 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 107.8 -1.185 . . . . 0.0 107.8 176.806 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 39.7 mmt180 -52.01 114.16 1.23 Allowed 'General case' 0 C--O 1.236 0.388 0 CA-C-O 120.894 0.378 . . . . 0.0 110.197 -179.707 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 127.36 -31.72 3.74 Favored Glycine 0 N--CA 1.446 -0.664 0 C-N-CA 120.85 -0.69 . . . . 0.0 112.657 -178.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.548 ' HB2' ' HB3' ' A' ' 11' ' ' CYS . 63.4 mt-10 -90.22 142.81 27.35 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-O 121.477 0.656 . . . . 0.0 111.715 -179.269 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.475 ' HD2' ' O ' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -105.83 137.59 43.46 Favored 'General case' 0 C--N 1.313 -1.006 0 CA-C-N 114.793 -1.094 . . . . 0.0 108.468 178.397 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 27.7 t -65.01 123.93 18.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-O 121.164 0.507 . . . . 0.0 111.027 -178.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.434 ' O ' ' HD3' ' A' ' 18' ' ' ARG . 4.2 tmt_? -98.48 -35.33 10.3 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 108.517 -0.92 . . . . 0.0 108.517 179.119 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 173.19 -158.5 28.18 Favored Glycine 0 N--CA 1.448 -0.547 0 CA-C-N 115.285 -0.871 . . . . 0.0 112.342 179.622 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 7.9 p -106.27 143.5 34.3 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-O 120.599 0.238 . . . . 0.0 110.948 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.406 ' SG ' ' HB2' ' A' ' 27' ' ' TYR . 58.4 m -98.21 -38.03 9.45 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.522 0.677 . . . . 0.0 110.347 179.513 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 171.24 -157.12 27.6 Favored Glycine 0 N--CA 1.441 -1.019 0 CA-C-N 115.194 -0.912 . . . . 0.0 111.063 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.474 ' O ' ' HB2' ' A' ' 24' ' ' ARG . 49.9 mm -61.87 110.28 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-O 120.575 0.226 . . . . 0.0 110.477 179.606 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.474 ' HB2' ' O ' ' A' ' 23' ' ' ILE . 19.4 mmt85 72.28 14.92 5.42 Favored 'General case' 0 N--CA 1.465 0.291 0 N-CA-C 113.291 0.849 . . . . 0.0 113.291 179.608 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 19.5 m-85 -127.49 132.57 49.96 Favored 'General case' 0 CA--C 1.511 -0.525 0 CA-C-N 118.704 0.684 . . . . 0.0 110.954 179.081 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.425 ' N ' HD12 ' A' ' 26' ' ' LEU . 6.1 mp -116.41 143.19 45.88 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 115.069 -0.969 . . . . 0.0 109.368 179.345 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.437 ' CZ ' ' HB2' ' A' ' 4' ' ' CYS . 2.1 t80 -95.44 113.57 25.25 Favored 'General case' 0 C--N 1.314 -0.952 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 179.766 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.4 m -116.9 145.11 43.8 Favored 'General case' 0 C--N 1.314 -0.948 0 CA-C-O 121.228 0.537 . . . . 0.0 112.014 -178.608 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 8.8 m -130.53 130.08 22.88 Favored Pre-proline 0 C--N 1.321 -0.633 0 CA-C-N 115.395 -0.82 . . . . 0.0 108.983 179.055 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.549 ' HD2' ' O ' ' A' ' 3' ' ' LEU . 82.8 Cg_exo -45.57 151.77 1.06 Allowed 'Trans proline' 0 C--O 1.235 0.348 0 C-N-CA 123.479 2.786 . . . . 0.0 113.615 -179.667 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 39.8 mmm-85 -56.57 -34.33 67.03 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.408 -0.814 . . . . 0.0 112.538 -179.274 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.408 ' C ' ' H3 ' ' A' ' 1' ' ' GLY . 12.6 ptm180 . . . . . 0 C--O 1.252 1.204 0 CA-C-O 118.891 -0.576 . . . . 0.0 110.122 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.451 ' H1 ' ' C ' ' A' ' 32' ' ' ARG . . . . . . . . 0 N--CA 1.482 1.701 0 N-CA-C 111.673 -0.571 . . . . 0.0 111.673 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.529 HD13 HD23 ' A' ' 3' ' ' LEU . 0.8 OUTLIER -80.69 40.61 0.52 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.187 0.518 . . . . 0.0 111.418 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.529 HD23 HD13 ' A' ' 2' ' ' LEU . 2.6 pt? -172.01 133.4 0.71 Allowed 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.536 -0.913 . . . . 0.0 108.536 179.592 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.539 ' HB2' ' CE2' ' A' ' 27' ' ' TYR . 63.3 m -89.82 161.9 15.76 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-O 121.085 0.469 . . . . 0.0 110.308 -179.057 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 47.0 m-85 -127.72 143.67 51.13 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.614 179.466 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 96.1 m -79.19 128.32 33.15 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.149 0.5 . . . . 0.0 109.892 178.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.47 ' HG3' ' HA ' ' A' ' 11' ' ' CYS . 32.4 mmt180 -123.63 143.09 50.45 Favored 'General case' 0 C--N 1.311 -1.077 0 CA-C-N 115.438 -0.801 . . . . 0.0 109.663 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 20.8 ptmt -88.09 123.54 32.87 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-O 121.15 0.5 . . . . 0.0 111.699 -179.239 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 78.28 -45.0 2.5 Favored Glycine 0 N--CA 1.452 -0.272 0 CA-C-N 115.732 -0.667 . . . . 0.0 114.053 178.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -167.23 156.6 10.45 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.833 0.349 . . . . 0.0 111.321 -179.424 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.595 ' SG ' HG22 ' A' ' 17' ' ' VAL . 4.6 m -69.21 161.46 29.15 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.257 -0.883 . . . . 0.0 111.563 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.407 ' HD2' ' N ' ' A' ' 13' ' ' ARG . 2.7 tmmm? -75.71 143.06 42.29 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 107.173 -1.417 . . . . 0.0 107.173 177.505 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.407 ' N ' ' HD2' ' A' ' 12' ' ' LYS . 26.8 mmm180 -48.42 105.34 0.07 Allowed 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 120.857 0.36 . . . . 0.0 111.274 -179.162 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 126.21 -23.63 5.77 Favored Glycine 0 N--CA 1.448 -0.559 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.344 -179.151 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.538 ' HA ' ' HA ' ' A' ' 30' ' ' PRO . 78.8 mt-10 -90.33 131.52 36.08 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-O 121.35 0.595 . . . . 0.0 111.11 -179.504 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 92.0 mtt180 -92.32 136.67 33.01 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.148 -0.933 . . . . 0.0 110.701 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.595 HG22 ' SG ' ' A' ' 11' ' ' CYS . 13.0 t -67.79 123.07 20.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-O 121.245 0.545 . . . . 0.0 110.846 179.756 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 7.7 tpm_? -102.97 -33.24 9.37 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.385 179.067 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -176.13 -159.37 21.71 Favored Glycine 0 N--CA 1.447 -0.616 0 CA-C-N 115.572 -0.74 . . . . 0.0 112.207 179.557 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 11.7 p -111.91 142.88 43.75 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 120.717 0.294 . . . . 0.0 111.181 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 42.7 m -97.67 -38.81 9.37 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.243 0.544 . . . . 0.0 110.725 179.404 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 171.92 -151.04 13.99 Favored Glycine 0 N--CA 1.444 -0.807 0 C-N-CA 120.716 -0.755 . . . . 0.0 112.054 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.452 ' H ' HD11 ' A' ' 23' ' ' ILE . 4.3 mp -61.55 103.64 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 120.892 0.377 . . . . 0.0 110.68 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.49 ' HA ' ' NE ' ' A' ' 24' ' ' ARG . 0.0 OUTLIER 67.96 22.93 8.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.275 -0.875 . . . . 0.0 112.133 -179.905 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 51.6 m-85 -124.15 132.11 53.6 Favored 'General case' 0 CA--C 1.512 -0.484 0 N-CA-C 109.727 -0.472 . . . . 0.0 109.727 178.793 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.441 ' N ' HD12 ' A' ' 26' ' ' LEU . 4.8 mp -118.42 140.51 49.74 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.495 -179.452 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.539 ' CE2' ' HB2' ' A' ' 4' ' ' CYS . 1.4 t80 -91.33 110.3 21.59 Favored 'General case' 0 C--N 1.317 -0.813 0 N-CA-C 107.702 -1.222 . . . . 0.0 107.702 179.09 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 4.8 m -120.97 136.55 54.95 Favored 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 113.179 0.807 . . . . 0.0 113.179 -176.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.413 ' HA ' ' HD3' ' A' ' 30' ' ' PRO . 1.6 m -105.42 126.82 29.91 Favored Pre-proline 0 C--N 1.323 -0.557 0 CA-C-N 115.657 -0.702 . . . . 0.0 110.406 177.876 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.538 ' HA ' ' HA ' ' A' ' 15' ' ' GLU . 37.8 Cg_exo -59.65 145.96 96.66 Favored 'Trans proline' 0 C--O 1.234 0.3 0 C-N-CA 123.218 2.612 . . . . 0.0 113.161 -179.33 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 36.1 ttt85 -48.5 -47.13 39.03 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 115.002 -0.999 . . . . 0.0 112.088 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.451 ' C ' ' H1 ' ' A' ' 1' ' ' GLY . 3.1 tmm_? . . . . . 0 C--O 1.245 0.848 0 N-CA-C 108.443 -0.947 . . . . 0.0 108.443 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.463 ' H3 ' ' C ' ' A' ' 32' ' ' ARG . . . . . . . . 0 N--CA 1.482 1.711 0 N-CA-C 111.56 -0.616 . . . . 0.0 111.56 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 35.3 tp -75.63 71.04 2.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.166 0.508 . . . . 0.0 110.825 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 59.6 tp -166.85 133.41 2.36 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 108.331 -0.989 . . . . 0.0 108.331 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.579 ' HB2' ' CZ ' ' A' ' 27' ' ' TYR . 5.8 m -88.31 152.39 21.97 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-O 121.225 0.536 . . . . 0.0 110.804 -179.023 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 80.8 m-85 -136.53 146.28 46.02 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.433 -0.803 . . . . 0.0 111.074 -179.258 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 86.7 m -79.83 132.3 36.08 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 177.728 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.457 ' HG3' ' HA ' ' A' ' 11' ' ' CYS . 33.8 mmt180 -125.89 137.88 53.76 Favored 'General case' 0 C--N 1.313 -0.994 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 179.739 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.605 ' H ' ' HD3' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -88.53 127.95 35.55 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-O 121.245 0.545 . . . . 0.0 110.587 -179.826 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 87.4 -52.2 4.27 Favored Glycine 0 N--CA 1.45 -0.398 0 CA-C-N 115.319 -0.855 . . . . 0.0 112.958 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -174.75 157.78 2.54 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.992 0.425 . . . . 0.0 111.096 179.539 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.583 ' SG ' HG22 ' A' ' 17' ' ' VAL . 3.2 m -69.41 164.92 21.94 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 114.973 -1.012 . . . . 0.0 112.03 -179.323 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 50.8 tptt -71.4 161.4 31.12 Favored 'General case' 0 N--CA 1.451 -0.396 0 N-CA-C 108.456 -0.942 . . . . 0.0 108.456 178.022 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 18.9 mmt85 -65.87 69.97 0.05 Allowed 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 121.104 0.478 . . . . 0.0 111.589 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 163.19 -18.11 0.14 Allowed Glycine 0 N--CA 1.441 -0.995 0 CA-C-N 115.977 -0.556 . . . . 0.0 112.325 -179.4 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.564 ' HB2' ' HB3' ' A' ' 11' ' ' CYS . 60.0 mt-10 -88.33 132.34 34.45 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-O 121.709 0.766 . . . . 0.0 111.821 -179.2 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 8.8 tpt180 -89.77 126.39 35.65 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-N 114.541 -1.209 . . . . 0.0 109.791 178.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.583 HG22 ' SG ' ' A' ' 11' ' ' CYS . 17.0 t -62.71 120.59 9.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 121.081 0.467 . . . . 0.0 110.863 -179.867 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.582 ' HD2' ' SG ' ' A' ' 29' ' ' CYS . 49.5 ttt85 -96.78 -35.45 10.96 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.417 -0.81 . . . . 0.0 109.328 179.34 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 177.82 -156.29 19.34 Favored Glycine 0 N--CA 1.448 -0.562 0 CA-C-N 115.292 -0.867 . . . . 0.0 112.458 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 12.3 p -109.62 142.53 40.62 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 120.702 0.287 . . . . 0.0 111.405 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 54.1 m -98.79 -38.39 9.08 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.363 0.602 . . . . 0.0 110.491 179.331 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 175.64 -157.39 23.71 Favored Glycine 0 N--CA 1.443 -0.889 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.612 179.705 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.509 ' O ' ' HB2' ' A' ' 24' ' ' ARG . 48.9 mm -63.3 103.15 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 120.638 0.256 . . . . 0.0 110.8 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.509 ' HB2' ' O ' ' A' ' 23' ' ' ILE . 0.0 OUTLIER 77.09 14.74 1.92 Allowed 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 115.354 -0.839 . . . . 0.0 112.616 -179.949 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 36.8 m-85 -123.51 132.17 53.84 Favored 'General case' 0 CA--C 1.513 -0.454 0 C-N-CA 120.415 -0.514 . . . . 0.0 109.631 178.649 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.0 mp -116.78 141.8 47.75 Favored 'General case' 0 C--N 1.312 -1.053 0 CA-C-N 115.5 -0.773 . . . . 0.0 109.936 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.579 ' CZ ' ' HB2' ' A' ' 4' ' ' CYS . 3.4 t80 -90.13 111.88 23.17 Favored 'General case' 0 C--N 1.317 -0.837 0 N-CA-C 107.793 -1.188 . . . . 0.0 107.793 178.855 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 4.6 m -119.44 140.62 50.14 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-O 121.163 0.506 . . . . 0.0 112.184 -177.356 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.582 ' SG ' ' HD2' ' A' ' 18' ' ' ARG . 21.0 m -112.51 120.67 40.71 Favored Pre-proline 0 C--N 1.322 -0.625 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.246 178.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.554 ' HA ' ' HA ' ' A' ' 15' ' ' GLU . 31.3 Cg_exo -59.34 144.15 99.5 Favored 'Trans proline' 0 N--CA 1.464 -0.219 0 C-N-CA 122.649 2.232 . . . . 0.0 112.059 -179.854 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 27.4 ptt180 -61.78 -23.6 66.3 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.326 -179.703 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.463 ' C ' ' H3 ' ' A' ' 1' ' ' GLY . 37.6 ptt180 . . . . . 0 C--O 1.248 1.0 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 179.155 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.893 0 N-CA-C 111.263 -0.735 . . . . 0.0 111.263 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 96.9 mt -74.09 140.05 45.03 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.895 0.348 . . . . 0.0 110.442 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 28.8 tp -80.36 54.99 2.13 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.502 0.668 . . . . 0.0 110.442 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.633 ' HB2' ' CZ ' ' A' ' 27' ' ' TYR . 33.5 m -108.55 161.24 15.25 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.549 -0.751 . . . . 0.0 109.807 -179.82 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 -134.06 137.96 44.99 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.992 0.425 . . . . 0.0 111.367 -179.165 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.401 ' HA ' ' O ' ' A' ' 26' ' ' LEU . 84.6 m -84.78 133.13 34.36 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.237 177.913 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 60.1 mtt-85 -140.34 144.37 36.26 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-O 121.13 0.491 . . . . 0.0 110.458 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.41 ' HA ' ' O ' ' A' ' 24' ' ' ARG . 60.5 pttt -86.1 131.04 34.34 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.723 -179.094 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 81.49 -49.61 4.06 Favored Glycine 0 N--CA 1.451 -0.355 0 CA-C-N 115.456 -0.793 . . . . 0.0 114.507 178.679 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 26.4 p-80 -166.57 159.22 14.06 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.377 0.608 . . . . 0.0 112.208 -179.14 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.622 ' SG ' HG21 ' A' ' 17' ' ' VAL . 9.5 m -78.4 169.25 18.56 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 114.423 -1.262 . . . . 0.0 111.144 179.47 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 20.8 ttpp -90.73 146.22 24.17 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 107.899 -1.149 . . . . 0.0 107.899 177.096 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 38.1 tpt85 -46.05 105.29 0.06 Allowed 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 121.102 0.477 . . . . 0.0 111.231 -179.187 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 133.54 -34.36 2.43 Favored Glycine 0 N--CA 1.448 -0.525 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.939 -179.113 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.538 ' HA ' ' HA ' ' A' ' 30' ' ' PRO . 6.3 mt-10 -93.55 136.6 33.66 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.957 0.408 . . . . 0.0 110.68 -179.878 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 34.6 tpt85 -111.96 134.94 53.2 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.221 -0.445 . . . . 0.0 109.801 179.536 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.622 HG21 ' SG ' ' A' ' 11' ' ' CYS . 21.6 t -55.52 127.34 14.27 Favored 'Isoleucine or valine' 0 C--O 1.236 0.373 0 CA-C-O 121.043 0.449 . . . . 0.0 111.037 -179.401 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.641 ' HE ' ' HA ' ' A' ' 18' ' ' ARG . 3.5 mmp_? -117.84 -28.23 6.0 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.949 179.447 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -166.87 -162.17 17.83 Favored Glycine 0 N--CA 1.445 -0.708 0 C-N-CA 120.345 -0.931 . . . . 0.0 112.137 179.19 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 11.8 p -116.49 143.28 45.78 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 110.442 -0.207 . . . . 0.0 110.442 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.8 t -94.21 -41.06 9.68 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.782 0.801 . . . . 0.0 109.565 179.644 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 174.46 -155.6 21.52 Favored Glycine 0 N--CA 1.439 -1.162 0 CA-C-N 114.775 -1.102 . . . . 0.0 111.125 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.651 ' H ' HD11 ' A' ' 23' ' ' ILE . 4.3 mp -61.1 109.98 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-O 120.708 0.29 . . . . 0.0 110.686 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.487 ' HA ' ' NE ' ' A' ' 24' ' ' ARG . 14.1 mmp_? 72.47 14.94 5.21 Favored 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 113.645 0.979 . . . . 0.0 113.645 179.37 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 40.6 m-85 -127.05 132.76 50.61 Favored 'General case' 0 CA--C 1.512 -0.499 0 CA-C-N 118.826 0.739 . . . . 0.0 110.535 178.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.482 ' N ' HD12 ' A' ' 26' ' ' LEU . 5.3 mp -110.48 143.93 40.05 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-N 115.084 -0.962 . . . . 0.0 109.653 -179.787 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.633 ' CZ ' ' HB2' ' A' ' 4' ' ' CYS . 4.8 t80 -95.15 110.06 22.07 Favored 'General case' 0 C--N 1.314 -0.967 0 N-CA-C 108.109 -1.071 . . . . 0.0 108.109 179.295 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 13.5 m -108.25 139.04 43.53 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 115.576 -0.738 . . . . 0.0 112.239 -177.522 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.525 ' SG ' ' HG3' ' A' ' 18' ' ' ARG . 59.0 m -122.76 133.95 24.73 Favored Pre-proline 0 C--N 1.32 -0.708 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 178.303 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.538 ' HA ' ' HA ' ' A' ' 15' ' ' GLU . 49.8 Cg_exo -54.84 143.5 70.95 Favored 'Trans proline' 0 N--CA 1.465 -0.176 0 C-N-CA 122.459 2.106 . . . . 0.0 111.987 -179.58 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 2.1 tmm_? -61.22 -43.67 98.51 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.527 -179.135 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.246 0.907 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.597 -179.299 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.848 0 N-CA-C 112.202 -0.359 . . . . 0.0 112.202 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.409 ' HA ' HD22 ' A' ' 2' ' ' LEU . 93.1 mt -79.13 57.32 2.22 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.125 0.488 . . . . 0.0 111.31 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 62.8 tp -167.82 117.56 0.8 Allowed 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.277 179.787 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.542 ' HB2' ' CZ ' ' A' ' 27' ' ' TYR . 70.0 m -94.75 161.38 14.2 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.11 0.481 . . . . 0.0 110.086 -179.566 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 39.8 m-85 -130.72 140.71 50.35 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.466 -0.788 . . . . 0.0 109.43 179.035 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 93.6 m -84.44 128.32 34.52 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 121.099 0.476 . . . . 0.0 110.325 179.389 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 61.8 mtt-85 -137.11 140.78 42.15 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.112 179.555 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 25.3 pttm -84.16 132.95 34.63 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.444 -179.359 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 88.23 -52.73 4.11 Favored Glycine 0 N--CA 1.449 -0.475 0 CA-C-N 115.681 -0.69 . . . . 0.0 114.061 179.092 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -173.28 163.44 4.57 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.122 0.487 . . . . 0.0 112.184 -179.417 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.501 ' SG ' HG21 ' A' ' 17' ' ' VAL . 3.7 m -72.14 169.47 16.01 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 114.857 -1.065 . . . . 0.0 111.171 179.625 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 50.2 tptt -74.07 161.02 30.46 Favored 'General case' 0 N--CA 1.45 -0.463 0 N-CA-C 108.174 -1.047 . . . . 0.0 108.174 177.508 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 20.4 mmm180 -66.0 70.13 0.06 Allowed 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 120.89 0.376 . . . . 0.0 111.82 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 160.63 -18.96 0.21 Allowed Glycine 0 N--CA 1.444 -0.81 0 CA-C-N 116.024 -0.535 . . . . 0.0 112.011 -179.5 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.558 ' HA ' ' HA ' ' A' ' 30' ' ' PRO . 93.6 mt-10 -84.53 141.73 30.52 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-O 121.431 0.634 . . . . 0.0 111.914 -179.264 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 36.0 mmt180 -101.62 132.73 47.14 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.238 -0.892 . . . . 0.0 109.273 178.737 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.501 HG21 ' SG ' ' A' ' 11' ' ' CYS . 17.7 t -62.98 124.85 18.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 121.075 0.464 . . . . 0.0 110.934 -179.257 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 28.7 tpt180 -101.46 -33.46 9.96 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.066 179.16 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 176.17 -160.33 28.12 Favored Glycine 0 N--CA 1.444 -0.801 0 CA-C-N 115.223 -0.898 . . . . 0.0 112.068 179.618 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 15.8 p -104.89 142.21 35.16 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-O 120.461 0.172 . . . . 0.0 110.962 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 7.9 t -90.5 -42.02 11.08 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 122.089 0.947 . . . . 0.0 108.93 178.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 173.0 -157.46 26.59 Favored Glycine 0 N--CA 1.438 -1.201 0 CA-C-N 114.192 -1.367 . . . . 0.0 110.558 179.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.447 ' O ' ' HB2' ' A' ' 24' ' ' ARG . 61.0 mt -61.27 109.96 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-O 120.576 0.227 . . . . 0.0 110.882 179.802 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.447 ' HB2' ' O ' ' A' ' 23' ' ' ILE . 68.3 mtp85 72.71 18.62 4.18 Favored 'General case' 0 N--CA 1.465 0.316 0 N-CA-C 113.436 0.902 . . . . 0.0 113.436 179.191 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 62.6 m-85 -132.13 132.35 43.17 Favored 'General case' 0 CA--C 1.513 -0.466 0 CA-C-N 118.611 0.641 . . . . 0.0 110.236 178.652 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 86.7 mt -109.5 143.53 39.01 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-N 115.206 -0.906 . . . . 0.0 110.022 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.542 ' CZ ' ' HB2' ' A' ' 4' ' ' CYS . 2.6 t80 -101.12 107.92 19.46 Favored 'General case' 0 C--N 1.315 -0.909 0 N-CA-C 107.816 -1.179 . . . . 0.0 107.816 179.173 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 6.4 m -120.06 139.36 52.65 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 113.281 0.845 . . . . 0.0 113.281 -176.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.4 m -105.98 125.74 32.39 Favored Pre-proline 0 C--N 1.326 -0.415 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.33 177.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.558 ' HA ' ' HA ' ' A' ' 15' ' ' GLU . 34.3 Cg_exo -61.49 145.24 98.12 Favored 'Trans proline' 0 C--O 1.235 0.34 0 C-N-CA 122.761 2.307 . . . . 0.0 111.853 179.697 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.719 ' HD3' ' N ' ' A' ' 32' ' ' ARG . 0.0 OUTLIER -43.6 -35.57 1.79 Allowed 'General case' 0 N--CA 1.471 0.607 0 O-C-N 124.18 0.925 . . . . 0.0 112.599 -179.493 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.719 ' N ' ' HD3' ' A' ' 31' ' ' ARG . 11.0 tpp180 . . . . . 0 C--O 1.245 0.847 0 N-CA-C 107.916 -1.142 . . . . 0.0 107.916 179.479 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.441 ' H1 ' ' C ' ' A' ' 32' ' ' ARG . . . . . . . . 0 N--CA 1.482 1.709 0 N-CA-C 111.774 -0.53 . . . . 0.0 111.774 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.722 HD21 ' H ' ' A' ' 2' ' ' LEU . 1.9 pt? -86.98 38.67 0.82 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.089 0.471 . . . . 0.0 110.652 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 37.9 tp -176.12 130.89 0.23 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.602 -0.726 . . . . 0.0 109.115 179.767 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.656 ' HB2' ' CZ ' ' A' ' 27' ' ' TYR . 11.8 m -110.99 158.12 19.14 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 116.601 -0.272 . . . . 0.0 110.418 -179.252 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 29.6 m-85 -133.88 157.14 46.73 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.141 -179.487 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 68.5 m -101.35 136.0 41.91 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 177.705 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.521 ' HD2' ' HA ' ' A' ' 11' ' ' CYS . 0.0 OUTLIER -132.63 156.0 47.72 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.725 179.705 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.448 ' HG2' ' CZ ' ' A' ' 25' ' ' PHE . 59.8 mttp -81.3 129.37 34.58 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.501 -179.514 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 74.56 -47.94 1.83 Allowed Glycine 0 N--CA 1.452 -0.258 0 N-CA-C 115.379 0.912 . . . . 0.0 115.379 177.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.502 ' HA ' HD13 ' A' ' 26' ' ' LEU . 0.5 OUTLIER -167.49 166.4 14.29 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 117.507 0.654 . . . . 0.0 112.481 -178.395 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.67 ' SG ' HG23 ' A' ' 17' ' ' VAL . 3.2 m -75.86 161.54 28.9 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.24 -0.891 . . . . 0.0 111.194 179.653 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.635 ' HB3' ' OE1' ' A' ' 15' ' ' GLU . 0.0 OUTLIER -84.82 148.38 26.34 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 107.402 -1.333 . . . . 0.0 107.402 176.958 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 24.3 mmt85 -46.63 111.33 0.37 Allowed 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 120.948 0.404 . . . . 0.0 111.63 -178.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 123.86 -26.3 5.94 Favored Glycine 0 N--CA 1.447 -0.591 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.719 -179.593 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.635 ' OE1' ' HB3' ' A' ' 12' ' ' LYS . 26.7 mt-10 -96.11 132.05 41.9 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-O 121.5 0.667 . . . . 0.0 111.469 -179.093 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 4.3 tpm_? -95.5 136.36 35.98 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.14 -0.936 . . . . 0.0 110.25 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.67 HG23 ' SG ' ' A' ' 11' ' ' CYS . 17.2 t -63.86 123.51 16.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 120.696 0.284 . . . . 0.0 110.608 179.62 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 4.6 tmt_? -96.54 -33.93 11.64 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 108.729 -0.841 . . . . 0.0 108.729 179.047 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 173.72 176.6 42.29 Favored Glycine 0 N--CA 1.443 -0.841 0 CA-C-N 115.17 -0.923 . . . . 0.0 111.631 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 8.2 p -76.8 141.32 40.78 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 116.597 0.198 . . . . 0.0 110.888 179.71 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.433 ' HB3' ' CB ' ' A' ' 25' ' ' PHE . 5.9 t -96.89 -43.75 7.34 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.686 0.755 . . . . 0.0 109.326 179.346 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 176.32 -157.86 23.86 Favored Glycine 0 N--CA 1.442 -0.909 0 CA-C-N 114.8 -1.091 . . . . 0.0 111.221 179.722 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.469 ' O ' ' HB2' ' A' ' 24' ' ' ARG . 48.5 mm -62.36 103.22 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-O 120.603 0.24 . . . . 0.0 110.875 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.469 ' HB2' ' O ' ' A' ' 23' ' ' ILE . 10.1 mpt_? 74.14 22.91 2.21 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 115.39 -0.823 . . . . 0.0 112.506 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.448 ' CZ ' ' HG2' ' A' ' 8' ' ' LYS . 14.8 m-85 -130.76 133.33 45.91 Favored 'General case' 0 CA--C 1.51 -0.592 0 C-N-CA 120.463 -0.495 . . . . 0.0 110.246 179.052 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.502 HD13 ' HA ' ' A' ' 10' ' ' HIS . 85.5 mt -116.76 134.48 54.74 Favored 'General case' 0 C--N 1.314 -0.966 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.131 179.393 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.656 ' CZ ' ' HB2' ' A' ' 4' ' ' CYS . 13.7 t80 -91.16 111.75 23.35 Favored 'General case' 0 C--N 1.312 -1.051 0 N-CA-C 107.443 -1.317 . . . . 0.0 107.443 178.697 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 4.7 m -121.16 145.01 48.27 Favored 'General case' 0 C--N 1.314 -0.971 0 N-CA-C 112.556 0.576 . . . . 0.0 112.556 -177.385 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.417 ' HA ' ' HD3' ' A' ' 30' ' ' PRO . 35.0 m -113.23 127.87 26.32 Favored Pre-proline 0 C--N 1.323 -0.549 0 CA-C-N 115.141 -0.936 . . . . 0.0 109.405 178.508 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.568 ' HA ' ' HA ' ' A' ' 15' ' ' GLU . 37.6 Cg_exo -62.05 142.52 92.74 Favored 'Trans proline' 0 C--O 1.235 0.328 0 C-N-CA 122.604 2.202 . . . . 0.0 111.949 -179.708 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 18.3 tpp180 -58.52 -51.18 70.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.631 -179.739 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.441 ' C ' ' H1 ' ' A' ' 1' ' ' GLY . 67.7 mtm180 . . . . . 0 C--O 1.248 0.982 0 CA-C-O 118.009 -0.996 . . . . 0.0 109.294 178.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.668 0 N-CA-C 111.168 -0.773 . . . . 0.0 111.168 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.431 HD12 ' C ' ' A' ' 2' ' ' LEU . 1.5 tm? -82.2 105.78 13.55 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.192 0.52 . . . . 0.0 110.514 -179.64 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.5 pt? 179.47 133.03 0.09 Allowed 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 107.881 -1.155 . . . . 0.0 107.881 178.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.501 ' HB2' ' CE2' ' A' ' 27' ' ' TYR . 86.2 m -88.74 157.66 18.44 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-O 121.651 0.739 . . . . 0.0 111.308 -178.108 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 46.2 m-85 -127.85 138.91 52.87 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-N 114.599 -1.182 . . . . 0.0 109.348 179.315 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 64.9 m -80.03 129.02 34.17 Favored 'General case' 0 C--N 1.317 -0.837 0 N-CA-C 109.759 -0.459 . . . . 0.0 109.759 178.471 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.405 ' HD2' ' HA ' ' A' ' 11' ' ' CYS . 27.9 mtt-85 -133.53 139.59 46.7 Favored 'General case' 0 C--N 1.312 -1.044 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.365 179.799 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 12.1 ptmm? -82.63 127.26 33.21 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.412 -0.813 . . . . 0.0 112.234 -178.729 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 86.57 -51.03 4.3 Favored Glycine 0 N--CA 1.451 -0.344 0 CA-C-N 115.612 -0.722 . . . . 0.0 113.592 178.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -174.8 164.63 3.56 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.879 0.371 . . . . 0.0 111.141 -179.753 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.405 ' HA ' ' HD2' ' A' ' 7' ' ' ARG . 3.4 m -70.16 160.74 31.54 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.435 -0.802 . . . . 0.0 111.019 179.696 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.487 ' HB3' ' OE1' ' A' ' 15' ' ' GLU . 20.3 ttpp -84.24 152.76 24.0 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 107.872 -1.159 . . . . 0.0 107.872 177.63 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 26.0 mmm180 -54.09 101.87 0.05 Allowed 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 140.01 -34.21 2.03 Favored Glycine 0 N--CA 1.445 -0.739 0 C-N-CA 120.99 -0.624 . . . . 0.0 112.117 -178.419 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.551 ' HA ' ' HA ' ' A' ' 30' ' ' PRO . 3.0 mp0 -93.26 135.88 34.06 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-O 121.297 0.57 . . . . 0.0 111.953 -179.626 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 58.1 mtp85 -96.87 138.77 33.9 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.126 -0.943 . . . . 0.0 109.982 178.651 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 13.9 t -63.97 129.09 27.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 121.161 0.505 . . . . 0.0 111.037 -179.771 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 31.4 tpt180 -111.55 -31.55 6.97 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.445 -0.798 . . . . 0.0 109.505 179.19 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -179.78 -159.58 23.89 Favored Glycine 0 N--CA 1.447 -0.627 0 CA-C-N 115.586 -0.734 . . . . 0.0 112.199 179.666 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 11.6 p -112.76 143.15 44.48 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 120.6 0.238 . . . . 0.0 111.043 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 56.1 m -96.29 -37.4 10.53 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.455 0.645 . . . . 0.0 110.448 179.422 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 171.56 -157.37 27.72 Favored Glycine 0 N--CA 1.441 -0.994 0 CA-C-N 115.261 -0.881 . . . . 0.0 111.305 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.477 ' O ' ' HB2' ' A' ' 24' ' ' ARG . 4.3 mp -62.67 108.43 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 N-CA-C 110.163 -0.31 . . . . 0.0 110.163 179.736 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.477 ' HB2' ' O ' ' A' ' 23' ' ' ILE . 20.2 mmt85 72.67 17.7 4.44 Favored 'General case' 0 N--CA 1.464 0.274 0 O-C-N 124.041 0.838 . . . . 0.0 113.204 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 44.1 m-85 -129.17 133.09 47.44 Favored 'General case' 0 CA--C 1.512 -0.482 0 CA-C-N 118.32 0.509 . . . . 0.0 109.962 178.454 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.435 HD13 ' N ' ' A' ' 26' ' ' LEU . 5.2 mp -117.36 143.14 46.27 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.326 -179.419 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.501 ' CE2' ' HB2' ' A' ' 4' ' ' CYS . 1.0 OUTLIER -94.16 110.47 22.19 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 179.297 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.3 m -119.02 135.12 54.79 Favored 'General case' 0 C--N 1.315 -0.893 0 N-CA-C 112.874 0.694 . . . . 0.0 112.874 -177.216 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.448 ' HA ' ' HD3' ' A' ' 30' ' ' PRO . 1.5 m -105.58 131.11 22.03 Favored Pre-proline 0 C--N 1.321 -0.655 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.315 177.671 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.551 ' HA ' ' HA ' ' A' ' 15' ' ' GLU . 34.4 Cg_exo -60.62 155.76 46.23 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.99 2.46 . . . . 0.0 112.124 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 81.6 mtt-85 -48.91 -40.63 30.73 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 115.784 -0.644 . . . . 0.0 112.062 -179.697 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.251 1.15 0 CA-C-O 117.96 -1.019 . . . . 0.0 109.271 179.753 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.896 0 N-CA-C 111.339 -0.704 . . . . 0.0 111.339 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 9.3 tt -167.99 143.33 3.74 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 -179.573 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 60.2 tp -159.3 126.48 4.73 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.98 0.419 . . . . 0.0 110.045 -179.711 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.645 ' HB2' ' CZ ' ' A' ' 27' ' ' TYR . 8.7 m -94.43 157.78 15.86 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.855 179.824 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 68.9 m-85 -132.27 145.92 51.64 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 120.971 0.415 . . . . 0.0 111.468 -179.103 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 90.8 m -79.83 131.47 35.89 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.225 -0.658 . . . . 0.0 109.225 177.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.53 ' HG3' ' HA ' ' A' ' 11' ' ' CYS . 35.0 mmt180 -124.82 142.11 51.66 Favored 'General case' 0 C--N 1.312 -1.038 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 25.6 pttm -86.46 126.14 34.21 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 121.286 0.565 . . . . 0.0 111.274 -179.353 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 78.29 -47.86 3.0 Favored Glycine 0 N--CA 1.451 -0.325 0 CA-C-N 115.499 -0.773 . . . . 0.0 113.856 179.415 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 30.1 p-80 -167.16 156.85 10.79 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.874 0.369 . . . . 0.0 111.127 -179.765 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.544 ' HB3' ' HB2' ' A' ' 15' ' ' GLU . 3.6 m -70.61 163.3 27.29 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.051 -0.977 . . . . 0.0 111.318 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 23.8 tptm -72.36 147.59 46.12 Favored 'General case' 0 N--CA 1.447 -0.607 0 N-CA-C 107.368 -1.345 . . . . 0.0 107.368 177.006 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 29.8 tpt180 -56.14 92.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.955 0.407 . . . . 0.0 110.402 -179.518 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.452 ' O ' ' HG2' ' A' ' 31' ' ' ARG . . . 146.12 -27.56 1.71 Allowed Glycine 0 N--CA 1.443 -0.861 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.931 -178.639 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.544 ' HB2' ' HB3' ' A' ' 11' ' ' CYS . 59.7 mt-10 -84.69 135.19 34.26 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-O 121.626 0.727 . . . . 0.0 111.686 -179.484 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.51 126.81 37.76 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-N 114.747 -1.115 . . . . 0.0 109.029 179.149 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.518 HG22 ' SG ' ' A' ' 11' ' ' CYS . 17.8 t -59.94 123.48 12.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 121.048 0.452 . . . . 0.0 111.155 -179.639 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.438 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 43.7 tpt85 -101.46 -33.05 10.12 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.617 -0.72 . . . . 0.0 109.718 179.495 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 175.03 -155.02 19.77 Favored Glycine 0 N--CA 1.447 -0.614 0 CA-C-N 115.49 -0.777 . . . . 0.0 112.327 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 10.7 p -111.81 143.22 43.1 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 120.607 0.241 . . . . 0.0 111.08 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 51.4 m -98.34 -38.34 9.28 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.364 0.602 . . . . 0.0 110.369 179.337 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 172.57 -155.96 24.2 Favored Glycine 0 N--CA 1.44 -1.035 0 CA-C-N 115.306 -0.861 . . . . 0.0 111.445 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.475 ' O ' ' HB2' ' A' ' 24' ' ' ARG . 62.2 mt -61.38 108.01 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-O 120.66 0.267 . . . . 0.0 110.765 179.771 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.497 ' HA ' ' NE ' ' A' ' 24' ' ' ARG . 13.5 mmp_? 72.68 14.02 5.14 Favored 'General case' 0 N--CA 1.466 0.361 0 N-CA-C 113.321 0.86 . . . . 0.0 113.321 179.561 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 40.1 m-85 -127.48 134.04 49.85 Favored 'General case' 0 CA--C 1.513 -0.463 0 C-N-CA 120.076 -0.65 . . . . 0.0 110.342 178.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.439 ' N ' HD12 ' A' ' 26' ' ' LEU . 5.1 mp -117.5 143.68 45.82 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 115.198 -0.91 . . . . 0.0 109.684 -179.864 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.645 ' CZ ' ' HB2' ' A' ' 4' ' ' CYS . 3.1 t80 -89.96 114.37 26.19 Favored 'General case' 0 C--N 1.316 -0.873 0 N-CA-C 108.01 -1.108 . . . . 0.0 108.01 179.208 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.8 m -120.56 139.48 52.88 Favored 'General case' 0 C--N 1.312 -1.05 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.936 -177.672 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.438 ' SG ' ' HB2' ' A' ' 18' ' ' ARG . 21.6 m -111.62 122.22 37.88 Favored Pre-proline 0 C--N 1.32 -0.687 0 CA-C-N 115.745 -0.661 . . . . 0.0 109.703 179.267 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.525 ' HA ' ' HA ' ' A' ' 15' ' ' GLU . 31.3 Cg_exo -59.02 144.82 99.2 Favored 'Trans proline' 0 N--CA 1.465 -0.153 0 C-N-CA 122.434 2.09 . . . . 0.0 111.379 179.773 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.452 ' HG2' ' O ' ' A' ' 14' ' ' GLY . 2.6 ptm180 -73.62 11.81 0.75 Allowed 'General case' 0 CA--C 1.538 0.514 0 N-CA-C 112.396 0.517 . . . . 0.0 112.396 -179.033 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.255 1.354 0 C-N-CA 123.09 0.556 . . . . 0.0 111.197 179.678 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.839 0 N-CA-C 111.327 -0.709 . . . . 0.0 111.327 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.423 HD13 ' C ' ' A' ' 2' ' ' LEU . 1.4 tm? -84.33 103.51 13.57 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.239 0.543 . . . . 0.0 110.855 -179.64 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.6 pt? 179.09 129.31 0.07 Allowed 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 114.616 -1.175 . . . . 0.0 107.829 178.742 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.601 ' HB2' ' CZ ' ' A' ' 27' ' ' TYR . 83.1 m -89.42 156.7 18.51 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.552 0.691 . . . . 0.0 111.35 -178.017 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 17.1 m-85 -129.0 138.9 52.22 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 114.7 -1.136 . . . . 0.0 109.237 178.626 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 69.9 m -84.02 126.5 33.11 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.009 0.433 . . . . 0.0 110.247 178.701 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.555 ' HD2' ' HA ' ' A' ' 11' ' ' CYS . 43.3 mtt-85 -136.11 143.2 44.43 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.55 179.115 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.507 ' HA ' ' O ' ' A' ' 24' ' ' ARG . 18.8 ptpt -82.87 131.48 35.19 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.817 -0.629 . . . . 0.0 112.378 -178.583 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 76.18 -50.22 2.7 Favored Glycine 0 C--O 1.227 -0.308 0 CA-C-N 115.35 -0.841 . . . . 0.0 114.271 178.642 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 26.1 p-80 -169.31 160.9 9.76 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.094 0.473 . . . . 0.0 111.034 -179.276 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.555 ' HA ' ' HD2' ' A' ' 7' ' ' ARG . 90.3 m -100.87 -176.86 3.29 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 114.977 -1.01 . . . . 0.0 110.441 179.441 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.424 ' HZ2' ' CD ' ' A' ' 15' ' ' GLU . 7.7 ptpp? -78.29 163.1 26.02 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.755 -0.378 . . . . 0.0 110.288 -179.11 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.69 ' H ' ' HD2' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -69.15 53.86 0.1 Allowed 'General case' 0 N--CA 1.471 0.619 0 CA-C-O 122.09 0.948 . . . . 0.0 110.952 179.48 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.456 ' HA2' ' CZ ' ' A' ' 31' ' ' ARG . . . -166.24 -30.36 0.02 OUTLIER Glycine 0 N--CA 1.44 -1.035 0 CA-C-N 114.689 -1.141 . . . . 0.0 110.836 -179.706 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.547 ' HB2' ' HB3' ' A' ' 11' ' ' CYS . 29.7 mt-10 -87.86 125.49 34.51 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-O 121.342 0.591 . . . . 0.0 109.713 179.106 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.5 ptp180 -97.64 131.98 43.7 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-N 115.221 -0.9 . . . . 0.0 110.023 -178.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.42 HG23 ' SG ' ' A' ' 28' ' ' CYS . 39.4 t -64.23 122.61 15.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-O 121.017 0.437 . . . . 0.0 110.88 -179.333 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 62.7 ttt-85 -105.4 -28.7 10.7 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.663 179.586 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -172.52 -169.83 35.62 Favored Glycine 0 N--CA 1.445 -0.735 0 C-N-CA 120.614 -0.803 . . . . 0.0 112.2 179.726 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 16.4 p -103.5 142.3 34.51 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 120.532 0.206 . . . . 0.0 110.911 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.446 ' SG ' ' HB2' ' A' ' 27' ' ' TYR . 62.4 m -96.69 -37.92 10.13 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.523 0.678 . . . . 0.0 110.296 179.425 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 170.96 -158.07 29.38 Favored Glycine 0 N--CA 1.44 -1.034 0 CA-C-N 115.196 -0.911 . . . . 0.0 111.162 179.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.514 ' O ' ' HB2' ' A' ' 24' ' ' ARG . 60.3 mt -62.16 106.85 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-O 120.532 0.206 . . . . 0.0 110.628 179.758 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.514 ' HB2' ' O ' ' A' ' 23' ' ' ILE . 51.8 mmt-85 74.51 17.6 3.04 Favored 'General case' 0 N--CA 1.464 0.264 0 N-CA-C 113.16 0.8 . . . . 0.0 113.16 179.692 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 55.5 m-85 -127.6 132.16 49.84 Favored 'General case' 0 CA--C 1.514 -0.431 0 C-N-CA 120.035 -0.666 . . . . 0.0 110.71 178.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.505 HD22 ' N ' ' A' ' 26' ' ' LEU . 2.8 mm? -113.26 141.86 46.5 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 115.139 -0.937 . . . . 0.0 110.136 -179.829 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.601 ' CZ ' ' HB2' ' A' ' 4' ' ' CYS . 2.6 t80 -98.94 105.35 17.48 Favored 'General case' 0 C--N 1.315 -0.902 0 N-CA-C 108.515 -0.92 . . . . 0.0 108.515 179.59 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.42 ' SG ' HG23 ' A' ' 17' ' ' VAL . 7.2 m -114.4 139.33 49.58 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 113.549 0.944 . . . . 0.0 113.549 -177.86 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.419 ' SG ' ' N ' ' A' ' 4' ' ' CYS . 1.7 m -110.05 129.52 23.85 Favored Pre-proline 0 C--N 1.322 -0.59 0 CA-C-N 115.167 -0.924 . . . . 0.0 109.129 176.461 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.521 ' HA ' ' HA ' ' A' ' 15' ' ' GLU . 54.0 Cg_exo -52.3 150.91 18.77 Favored 'Trans proline' 0 C--O 1.234 0.298 0 C-N-CA 123.221 2.614 . . . . 0.0 112.481 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.456 ' CZ ' ' HA2' ' A' ' 14' ' ' GLY . 90.4 mtm-85 -58.91 -30.83 68.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.391 -179.529 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 54.2 ttp180 . . . . . 0 C--O 1.249 1.029 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 179.413 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.92 0 N-CA-C 111.238 -0.745 . . . . 0.0 111.238 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.459 ' N ' HD21 ' A' ' 2' ' ' LEU . 2.5 pt? -163.7 147.55 10.27 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 -179.685 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.6 pp -167.7 139.42 3.05 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.578 ' HB2' ' CZ ' ' A' ' 27' ' ' TYR . 39.8 m -141.63 161.83 36.97 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.607 -179.369 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 37.7 m-85 -140.9 140.09 34.47 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.868 0.366 . . . . 0.0 111.56 -179.024 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 90.4 m -80.66 131.99 35.54 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 177.206 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.519 ' HD2' ' HA ' ' A' ' 11' ' ' CYS . 66.6 mtt-85 -136.12 143.79 44.74 Favored 'General case' 0 C--N 1.313 -0.993 0 CA-C-O 121.21 0.528 . . . . 0.0 111.063 -179.859 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.468 ' HB2' ' CE2' ' A' ' 25' ' ' PHE . 37.4 ttpt -87.88 124.86 34.1 Favored 'General case' 0 C--N 1.315 -0.908 0 CA-C-N 115.262 -0.881 . . . . 0.0 112.098 -178.562 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 82.24 -45.06 3.28 Favored Glycine 0 N--CA 1.451 -0.337 0 N-CA-C 115.232 0.853 . . . . 0.0 115.232 177.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 31.3 p-80 -165.15 158.13 16.3 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 117.692 0.746 . . . . 0.0 112.537 -178.629 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.631 ' SG ' HG22 ' A' ' 17' ' ' VAL . 15.1 m -87.85 170.92 10.77 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 114.645 -1.161 . . . . 0.0 110.808 179.186 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.444 ' HG2' ' N ' ' A' ' 13' ' ' ARG . 13.4 ttmt -71.66 155.41 40.54 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.598 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.444 ' N ' ' HG2' ' A' ' 12' ' ' LYS . 38.7 mmt180 -67.63 62.17 0.07 Allowed 'General case' 0 N--CA 1.469 0.475 0 CA-C-O 121.481 0.658 . . . . 0.0 111.077 179.648 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 175.87 -24.17 0.06 OUTLIER Glycine 0 N--CA 1.441 -1.029 0 CA-C-N 115.371 -0.831 . . . . 0.0 111.73 -179.178 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.603 ' HG2' ' HG3' ' A' ' 30' ' ' PRO . 41.5 mt-10 -93.8 131.53 39.08 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-O 121.273 0.559 . . . . 0.0 110.803 -179.839 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 4.1 ptm180 -94.99 140.44 29.95 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 115.182 -0.917 . . . . 0.0 110.16 179.645 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.631 HG22 ' SG ' ' A' ' 11' ' ' CYS . 23.2 t -66.53 119.6 12.13 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 CA-C-O 120.973 0.416 . . . . 0.0 111.066 -179.811 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 34.8 ttm180 -91.37 -37.2 13.38 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 108.32 -0.993 . . . . 0.0 108.32 177.767 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -175.69 -158.62 19.89 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.261 -0.971 . . . . 0.0 112.724 179.527 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 11.5 p -105.61 142.62 35.04 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 120.657 0.265 . . . . 0.0 111.292 -179.79 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.407 ' SG ' ' HB2' ' A' ' 27' ' ' TYR . 37.8 m -99.31 -37.63 9.18 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.343 0.592 . . . . 0.0 110.706 179.538 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 175.59 -159.51 27.37 Favored Glycine 0 N--CA 1.442 -0.955 0 CA-C-N 115.497 -0.774 . . . . 0.0 111.501 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.491 ' O ' ' HB2' ' A' ' 24' ' ' ARG . 60.2 mt -62.21 103.14 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-O 120.54 0.21 . . . . 0.0 110.837 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.491 ' HB2' ' O ' ' A' ' 23' ' ' ILE . 65.6 mtp180 76.19 18.34 1.94 Allowed 'General case' 0 N--CA 1.467 0.383 0 O-C-N 124.231 0.957 . . . . 0.0 112.935 179.59 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.468 ' CE2' ' HB2' ' A' ' 8' ' ' LYS . 57.7 m-85 -127.53 132.98 49.83 Favored 'General case' 0 CA--C 1.514 -0.438 0 CA-C-N 118.217 0.462 . . . . 0.0 109.868 178.373 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.3 mp -115.0 144.36 43.73 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.21 -179.304 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.578 ' CZ ' ' HB2' ' A' ' 4' ' ' CYS . 7.0 t80 -92.67 108.79 20.25 Favored 'General case' 0 C--N 1.315 -0.891 0 N-CA-C 108.037 -1.097 . . . . 0.0 108.037 179.182 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 3.7 m -110.0 144.26 38.81 Favored 'General case' 0 C--N 1.319 -0.74 0 O-C-N 123.782 0.676 . . . . 0.0 112.184 -177.615 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 33.2 m -127.6 128.32 23.96 Favored Pre-proline 0 C--N 1.324 -0.542 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.395 178.723 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.603 ' HG3' ' HG2' ' A' ' 15' ' ' GLU . 44.9 Cg_exo -59.4 146.28 95.38 Favored 'Trans proline' 0 C--O 1.232 0.225 0 C-N-CA 122.958 2.439 . . . . 0.0 112.417 -179.605 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 95.4 mtm-85 -67.38 -34.14 76.66 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.078 179.702 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 40.2 tpt85 . . . . . 0 C--O 1.25 1.126 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 179.881 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.885 0 N-CA-C 111.259 -0.736 . . . . 0.0 111.259 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.47 ' N ' HD13 ' A' ' 2' ' ' LEU . 7.6 mp -71.47 138.15 48.77 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.825 0.312 . . . . 0.0 110.174 179.394 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.726 ' H ' HD22 ' A' ' 3' ' ' LEU . 1.5 pt? -81.95 58.95 4.1 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.097 -179.677 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.546 ' HB2' ' CZ ' ' A' ' 27' ' ' TYR . 7.0 m -87.69 151.29 23.04 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.166 0.508 . . . . 0.0 110.246 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 73.3 m-85 -139.95 149.2 43.0 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.617 -0.72 . . . . 0.0 111.901 -178.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 97.8 m -83.65 132.58 34.87 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.353 -0.84 . . . . 0.0 109.389 177.742 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 54.7 mtt-85 -137.86 141.48 40.73 Favored 'General case' 0 C--N 1.313 -0.998 0 CA-C-O 121.067 0.461 . . . . 0.0 110.343 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.553 ' O ' ' HD3' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -83.39 132.17 35.0 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.576 -0.738 . . . . 0.0 112.633 -178.687 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 83.57 -52.43 4.72 Favored Glycine 0 N--CA 1.451 -0.356 0 CA-C-N 115.205 -0.907 . . . . 0.0 114.642 178.374 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -169.54 161.77 9.73 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.126 0.488 . . . . 0.0 112.12 -179.1 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 7.5 m -77.59 167.79 21.04 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 114.886 -1.052 . . . . 0.0 111.506 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.475 ' HG2' ' N ' ' A' ' 13' ' ' ARG . 8.7 ttmt -71.19 154.9 41.33 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 107.918 -1.141 . . . . 0.0 107.918 177.327 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.475 ' N ' ' HG2' ' A' ' 12' ' ' LYS . 23.7 mmm180 -65.2 69.64 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 121.019 0.438 . . . . 0.0 111.564 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.408 ' N ' ' O ' ' A' ' 12' ' ' LYS . . . 166.18 -23.94 0.14 Allowed Glycine 0 N--CA 1.443 -0.844 0 CA-C-N 115.747 -0.661 . . . . 0.0 111.868 -179.246 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.554 ' HA ' ' HA ' ' A' ' 30' ' ' PRO . 51.3 mt-10 -90.31 136.76 32.85 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-O 121.43 0.633 . . . . 0.0 110.999 -179.65 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -94.36 134.22 37.09 Favored 'General case' 0 C--N 1.313 -0.998 0 CA-C-N 114.951 -1.022 . . . . 0.0 110.219 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 15.9 t -62.28 120.8 9.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 120.92 0.391 . . . . 0.0 110.473 179.62 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.419 ' HD2' ' HD2' ' A' ' 27' ' ' TYR . 0.0 OUTLIER -95.52 -33.84 12.27 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 179.414 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 178.96 -160.36 25.92 Favored Glycine 0 N--CA 1.447 -0.615 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.463 179.802 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 14.3 p -106.38 142.85 35.36 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 120.656 0.265 . . . . 0.0 111.082 -179.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.483 ' SG ' ' HB2' ' A' ' 27' ' ' TYR . 56.9 m -100.9 -36.42 9.06 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.33 0.586 . . . . 0.0 110.415 179.393 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 173.28 -162.44 33.64 Favored Glycine 0 N--CA 1.439 -1.13 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.288 179.728 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.515 ' O ' ' HB2' ' A' ' 24' ' ' ARG . 60.3 mt -64.13 103.88 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 N-CA-C 110.589 -0.152 . . . . 0.0 110.589 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.515 ' HB2' ' O ' ' A' ' 23' ' ' ILE . 67.1 mtm180 81.41 15.44 0.55 Allowed 'General case' 0 N--CA 1.469 0.505 0 O-C-N 124.447 1.092 . . . . 0.0 112.642 179.668 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 61.6 m-85 -128.63 132.15 48.12 Favored 'General case' 0 CA--C 1.516 -0.361 0 C-N-CA 120.334 -0.546 . . . . 0.0 110.289 179.064 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 83.1 mt -115.69 143.6 45.13 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.386 -179.725 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.546 ' CZ ' ' HB2' ' A' ' 4' ' ' CYS . 6.4 t80 -94.65 111.72 23.49 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 107.861 -1.163 . . . . 0.0 107.861 178.855 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 4.2 m -115.88 140.62 49.05 Favored 'General case' 0 C--N 1.315 -0.916 0 N-CA-C 112.813 0.672 . . . . 0.0 112.813 -177.457 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.438 ' HA ' ' HD3' ' A' ' 30' ' ' PRO . 60.8 m -113.71 125.15 29.92 Favored Pre-proline 0 C--N 1.323 -0.574 0 CA-C-N 115.305 -0.861 . . . . 0.0 108.903 178.439 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.554 ' HA ' ' HA ' ' A' ' 15' ' ' GLU . 33.6 Cg_exo -62.39 143.78 94.04 Favored 'Trans proline' 0 CA--C 1.52 -0.183 0 C-N-CA 122.833 2.355 . . . . 0.0 112.977 -179.187 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 47.4 ttm-85 -67.46 -35.51 79.35 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.832 179.45 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.021 0 N-CA-C 108.154 -1.054 . . . . 0.0 108.154 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.856 0 N-CA-C 111.073 -0.811 . . . . 0.0 111.073 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.497 ' N ' HD12 ' A' ' 2' ' ' LEU . 7.2 mp -69.02 144.26 54.1 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 110.052 -0.351 . . . . 0.0 110.052 179.207 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 48.4 tp -163.85 124.79 2.25 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 -179.699 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.626 ' HB2' ' CZ ' ' A' ' 27' ' ' TYR . 11.5 m -146.09 158.56 43.88 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 -179.588 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 82.5 m-85 -139.33 147.56 41.73 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.866 0.365 . . . . 0.0 111.383 -179.279 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 90.8 m -79.39 130.56 35.55 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 177.801 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.568 ' HG3' ' HA ' ' A' ' 11' ' ' CYS . 34.8 mmt180 -123.77 144.62 49.58 Favored 'General case' 0 C--N 1.312 -1.036 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.73 -179.77 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 7.1 ptpp? -91.34 122.43 33.94 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-O 121.152 0.501 . . . . 0.0 111.457 -179.51 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 75.83 -42.08 1.53 Allowed Glycine 0 C--O 1.227 -0.316 0 CA-C-N 115.58 -0.736 . . . . 0.0 114.186 179.169 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 27.9 p-80 -164.59 154.35 13.8 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.048 0.451 . . . . 0.0 111.52 -179.134 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.568 ' HA ' ' HG3' ' A' ' 7' ' ' ARG . 3.9 m -75.67 164.52 26.21 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 114.8 -1.091 . . . . 0.0 110.57 179.353 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.496 ' HG2' ' CD ' ' A' ' 15' ' ' GLU . 17.4 pttm -76.76 152.95 35.43 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 107.485 -1.302 . . . . 0.0 107.485 177.646 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 23.0 mmt85 -50.83 102.24 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.916 0.389 . . . . 0.0 111.415 -178.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 130.01 -30.51 3.51 Favored Glycine 0 N--CA 1.443 -0.841 0 C-N-CA 120.403 -0.903 . . . . 0.0 113.638 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.583 ' HA ' ' HA ' ' A' ' 30' ' ' PRO . 76.8 mt-10 -79.88 133.54 36.25 Favored 'General case' 0 CA--C 1.512 -0.484 0 CA-C-O 121.652 0.739 . . . . 0.0 112.085 -178.849 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 7.4 mpt_? -94.86 133.68 38.32 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 114.573 -1.194 . . . . 0.0 110.247 179.229 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 25.4 t -64.02 120.18 10.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 121.315 0.579 . . . . 0.0 111.03 -179.503 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.428 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 7.5 tpm_? -96.82 -35.44 10.94 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.556 -0.747 . . . . 0.0 109.324 179.084 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -179.98 -156.73 18.67 Favored Glycine 0 N--CA 1.447 -0.597 0 CA-C-N 115.394 -0.821 . . . . 0.0 112.315 179.746 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 11.2 p -109.5 143.05 39.67 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 120.57 0.224 . . . . 0.0 111.136 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 31.8 m -98.49 -38.42 9.19 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.489 0.661 . . . . 0.0 110.328 179.41 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 172.32 -157.94 28.0 Favored Glycine 0 N--CA 1.44 -1.058 0 CA-C-N 115.27 -0.877 . . . . 0.0 111.282 179.761 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.484 ' H ' HD12 ' A' ' 23' ' ' ILE . 4.3 mp -62.48 109.54 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 110.409 -0.219 . . . . 0.0 110.409 179.804 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.438 ' HB2' ' O ' ' A' ' 23' ' ' ILE . 69.3 mtp85 72.98 18.26 4.0 Favored 'General case' 0 CA--C 1.532 0.283 0 O-C-N 124.05 0.844 . . . . 0.0 112.991 179.585 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 71.8 m-85 -133.44 133.4 42.28 Favored 'General case' 0 CA--C 1.514 -0.442 0 CA-C-N 118.325 0.511 . . . . 0.0 110.345 178.681 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.435 HD13 ' N ' ' A' ' 26' ' ' LEU . 5.2 mp -118.91 142.63 47.59 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.444 -0.798 . . . . 0.0 109.629 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.626 ' CZ ' ' HB2' ' A' ' 4' ' ' CYS . 3.1 t80 -88.0 109.69 20.02 Favored 'General case' 0 C--N 1.316 -0.891 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 179.388 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 9.4 m -113.95 135.98 53.4 Favored 'General case' 0 C--N 1.313 -0.983 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.574 -178.413 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.428 ' SG ' ' HB2' ' A' ' 18' ' ' ARG . 46.5 m -106.46 120.62 47.94 Favored Pre-proline 0 C--N 1.315 -0.899 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 178.538 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.583 ' HA ' ' HA ' ' A' ' 15' ' ' GLU . 35.0 Cg_exo -61.41 142.91 97.06 Favored 'Trans proline' 0 N--CA 1.461 -0.436 0 C-N-CA 122.482 2.122 . . . . 0.0 111.524 -179.659 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 40.6 ttp85 -70.45 -22.73 62.66 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 179.562 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 3.0 ptm180 . . . . . 0 C--O 1.246 0.901 0 CA-C-N 114.253 -1.34 . . . . 0.0 107.8 179.196 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.829 0 N-CA-C 111.522 -0.631 . . . . 0.0 111.522 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.499 ' HA ' HD21 ' A' ' 2' ' ' LEU . 1.2 tm? -134.39 107.02 7.37 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.155 0.502 . . . . 0.0 110.153 179.582 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 45.0 tp 178.86 118.64 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 114.751 -1.113 . . . . 0.0 108.241 179.571 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.65 ' HB2' ' CZ ' ' A' ' 27' ' ' TYR . 12.2 m -89.82 155.25 19.29 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 121.031 0.443 . . . . 0.0 111.007 -178.745 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 32.9 m-85 -136.26 142.45 43.98 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.514 -178.649 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 67.5 m -84.51 133.93 34.45 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 177.298 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.514 ' HB2' ' SG ' ' A' ' 11' ' ' CYS . 2.4 mpt_? -134.63 160.12 39.1 Favored 'General case' 0 C--N 1.312 -1.039 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.977 178.899 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 57.4 pttt -105.1 123.16 47.33 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.219 0.533 . . . . 0.0 111.432 -179.594 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 75.84 -43.8 1.71 Allowed Glycine 0 CA--C 1.519 0.302 0 CA-C-N 115.747 -0.66 . . . . 0.0 114.157 179.22 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 28.8 p-80 -163.35 156.73 19.24 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.951 0.405 . . . . 0.0 111.121 -179.383 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.553 ' HB3' ' HB2' ' A' ' 15' ' ' GLU . 90.7 m -102.93 -178.56 3.7 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 115.088 -0.96 . . . . 0.0 111.047 179.756 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.455 ' HD3' ' OE2' ' A' ' 15' ' ' GLU . 28.9 mtpp -76.04 160.58 29.66 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.683 -179.422 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -68.48 62.28 0.1 Allowed 'General case' 0 N--CA 1.47 0.55 0 CA-C-O 121.834 0.826 . . . . 0.0 110.957 179.365 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.562 ' HA2' ' NH1' ' A' ' 31' ' ' ARG . . . 179.47 -29.29 0.06 OUTLIER Glycine 0 N--CA 1.438 -1.209 0 CA-C-N 115.011 -0.995 . . . . 0.0 110.827 -179.071 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.553 ' HB2' ' HB3' ' A' ' 11' ' ' CYS . 37.0 mt-10 -84.61 125.06 32.13 Favored 'General case' 0 N--CA 1.443 -0.803 0 CA-C-O 121.471 0.653 . . . . 0.0 110.0 179.472 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.466 ' HB3' ' NH1' ' A' ' 16' ' ' ARG . 16.4 ttp-105 -100.0 127.75 46.17 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 115.03 -0.986 . . . . 0.0 110.082 -179.281 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 36.3 t -57.87 125.34 13.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-O 121.366 0.603 . . . . 0.0 111.595 -179.352 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.555 ' HD2' ' SG ' ' A' ' 29' ' ' CYS . 34.4 ttt-85 -106.56 -32.96 7.83 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.12 -0.945 . . . . 0.0 109.407 179.224 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -176.21 -160.31 23.35 Favored Glycine 0 N--CA 1.447 -0.633 0 CA-C-N 115.325 -0.852 . . . . 0.0 112.265 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 7.9 p -107.38 144.71 33.88 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 120.741 0.305 . . . . 0.0 111.372 -179.697 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.408 ' SG ' ' HB2' ' A' ' 27' ' ' TYR . 56.9 m -98.85 -37.71 9.33 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.46 0.648 . . . . 0.0 110.199 179.304 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 172.27 -157.6 27.47 Favored Glycine 0 N--CA 1.441 -0.995 0 CA-C-N 115.211 -0.904 . . . . 0.0 111.178 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.475 ' O ' ' HB2' ' A' ' 24' ' ' ARG . 62.6 mt -62.42 109.81 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-O 120.557 0.217 . . . . 0.0 110.512 179.663 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.475 ' HB2' ' O ' ' A' ' 23' ' ' ILE . 85.7 mtt-85 73.38 14.51 4.43 Favored 'General case' 0 N--CA 1.466 0.338 0 O-C-N 123.976 0.798 . . . . 0.0 113.119 179.628 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 42.8 m-85 -129.32 135.92 49.37 Favored 'General case' 0 CA--C 1.514 -0.424 0 CA-C-N 118.526 0.603 . . . . 0.0 110.649 179.123 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.519 HD11 ' N ' ' A' ' 26' ' ' LEU . 0.0 OUTLIER -121.72 146.11 47.36 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.439 -0.801 . . . . 0.0 110.059 179.379 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.65 ' CZ ' ' HB2' ' A' ' 4' ' ' CYS . 2.6 t80 -96.37 111.98 23.88 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.715 -178.631 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 83.6 m -111.31 145.33 39.0 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-O 121.225 0.536 . . . . 0.0 112.165 -179.551 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.555 ' SG ' ' HD2' ' A' ' 18' ' ' ARG . 20.1 m -120.48 132.94 23.98 Favored Pre-proline 0 C--N 1.317 -0.835 0 N-CA-C 108.348 -0.982 . . . . 0.0 108.348 177.694 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_exo -50.6 149.51 13.51 Favored 'Trans proline' 0 C--O 1.237 0.445 0 C-N-CA 123.231 2.621 . . . . 0.0 113.496 -178.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.562 ' NH1' ' HA2' ' A' ' 14' ' ' GLY . 22.3 ptt-85 -65.22 -33.94 77.2 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.553 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.413 ' HD3' ' HA ' ' A' ' 32' ' ' ARG . 31.4 mmt-85 . . . . . 0 C--O 1.25 1.091 0 CA-C-O 117.989 -1.005 . . . . 0.0 108.884 179.433 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.92 0 N-CA-C 111.115 -0.794 . . . . 0.0 111.115 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 7.2 mp -69.14 138.47 54.22 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.85 0.325 . . . . 0.0 110.157 179.216 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 27.2 tp -163.43 54.04 0.17 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.648 0.737 . . . . 0.0 109.674 -179.674 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.546 ' HB2' ' CZ ' ' A' ' 27' ' ' TYR . 28.4 m -104.3 157.32 17.22 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.483 -0.78 . . . . 0.0 110.439 -179.662 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 31.4 m-85 -132.6 139.73 47.92 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.448 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.46 ' SG ' ' HB3' ' A' ' 25' ' ' PHE . 43.5 t -90.03 140.83 29.26 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 108.186 -1.042 . . . . 0.0 108.186 178.056 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.459 ' O ' HD23 ' A' ' 26' ' ' LEU . 50.9 mtt-85 -141.0 146.83 37.78 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.111 0.481 . . . . 0.0 111.401 -178.253 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.507 ' HB3' ' CE2' ' A' ' 25' ' ' PHE . 5.8 ptmm? -91.84 113.56 25.86 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.324 -0.853 . . . . 0.0 111.452 -179.872 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 108.9 -55.45 0.51 Allowed Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.895 -0.669 . . . . 0.0 113.453 178.73 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -176.29 161.77 2.33 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.947 0.403 . . . . 0.0 111.475 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.493 ' SG ' HD13 ' A' ' 26' ' ' LEU . 4.2 m -75.53 164.52 26.26 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.158 -0.928 . . . . 0.0 111.064 179.791 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 28.0 mtpp -78.89 162.63 25.9 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.34 177.668 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 39.0 mmt180 -67.52 67.29 0.09 Allowed 'General case' 0 N--CA 1.467 0.418 0 CA-C-O 121.166 0.508 . . . . 0.0 110.99 179.514 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.606 ' O ' ' HG2' ' A' ' 31' ' ' ARG . . . 175.25 -26.42 0.07 OUTLIER Glycine 0 N--CA 1.443 -0.865 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.362 -179.089 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.587 ' HA ' ' HA ' ' A' ' 30' ' ' PRO . 16.5 mt-10 -90.52 152.17 21.04 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-O 121.171 0.51 . . . . 0.0 111.705 -179.878 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.426 ' CZ ' ' HA ' ' A' ' 31' ' ' ARG . 8.2 ptp180 -113.54 139.49 48.94 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 108.035 -1.098 . . . . 0.0 108.035 179.112 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.453 HG23 ' SG ' ' A' ' 11' ' ' CYS . 23.7 t -67.24 122.21 17.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-O 121.012 0.434 . . . . 0.0 110.979 -178.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.56 ' HD2' ' O ' ' A' ' 18' ' ' ARG . 4.7 tmm_? -98.98 -35.82 9.94 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 108.449 -0.945 . . . . 0.0 108.449 179.083 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 179.87 -178.48 48.58 Favored Glycine 0 N--CA 1.444 -0.8 0 CA-C-N 115.191 -0.913 . . . . 0.0 111.655 179.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 7.2 p -99.75 142.43 31.23 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-O 120.57 0.224 . . . . 0.0 111.312 179.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.451 ' HB2' ' CB ' ' A' ' 25' ' ' PHE . 90.7 m -87.73 -44.53 11.09 Favored 'General case' 0 CA--C 1.514 -0.438 0 CA-C-O 121.894 0.854 . . . . 0.0 109.239 178.732 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 171.52 -152.35 17.6 Favored Glycine 0 N--CA 1.439 -1.166 0 CA-C-N 114.311 -1.313 . . . . 0.0 111.064 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.72 ' H ' HD12 ' A' ' 23' ' ' ILE . 4.5 mp -60.11 106.76 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-O 120.731 0.3 . . . . 0.0 111.062 -179.827 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.507 ' O ' ' HA ' ' A' ' 8' ' ' LYS . 76.6 mtt85 72.94 18.54 3.98 Favored 'General case' 0 N--CA 1.467 0.419 0 N-CA-C 113.795 1.035 . . . . 0.0 113.795 179.032 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.507 ' CE2' ' HB3' ' A' ' 8' ' ' LYS . 33.1 m-85 -134.54 138.38 44.59 Favored 'General case' 0 CA--C 1.516 -0.365 0 CA-C-N 118.898 0.772 . . . . 0.0 109.866 178.554 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.493 HD13 ' SG ' ' A' ' 11' ' ' CYS . 1.1 pt? -134.98 142.95 46.59 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.188 0.518 . . . . 0.0 110.369 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.546 ' CZ ' ' HB2' ' A' ' 4' ' ' CYS . 2.5 t80 -91.46 114.67 27.26 Favored 'General case' 0 C--O 1.242 0.67 0 CA-C-N 115.433 -0.803 . . . . 0.0 109.291 -179.492 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 6.1 m -113.8 141.48 47.26 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.419 -0.809 . . . . 0.0 112.163 -178.185 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 31.2 m -121.27 129.3 25.32 Favored Pre-proline 0 C--N 1.322 -0.588 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 178.324 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.587 ' HA ' ' HA ' ' A' ' 15' ' ' GLU . 72.5 Cg_exo -47.35 142.8 12.05 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.728 2.285 . . . . 0.0 112.257 -179.751 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.606 ' HG2' ' O ' ' A' ' 14' ' ' GLY . 2.8 ptp85 -80.65 47.8 1.0 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.062 0.458 . . . . 0.0 111.984 -179.28 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 41.0 tpt85 . . . . . 0 C--O 1.247 0.973 0 CA-C-O 118.461 -0.78 . . . . 0.0 109.31 178.378 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.756 0 N-CA-C 111.243 -0.743 . . . . 0.0 111.243 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 96.8 mt -69.08 137.21 53.33 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.815 0.308 . . . . 0.0 110.424 179.351 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.451 HD22 ' HH ' ' A' ' 5' ' ' TYR . 31.7 tp -79.1 69.35 5.27 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.574 -179.759 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.607 ' HB2' ' CZ ' ' A' ' 27' ' ' TYR . 6.7 m -89.23 155.47 19.38 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.678 -179.35 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . 0.451 ' HH ' HD22 ' A' ' 3' ' ' LEU . 78.7 m-85 -134.19 147.96 50.83 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.099 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 88.6 m -79.67 129.76 34.76 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 177.644 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.55 ' HG3' ' HA ' ' A' ' 11' ' ' CYS . 35.1 mmt180 -121.99 141.79 50.98 Favored 'General case' 0 C--N 1.311 -1.07 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.807 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.405 ' HB3' ' CE2' ' A' ' 25' ' ' PHE . 54.5 pttt -88.24 123.27 32.69 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.337 -179.294 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 78.43 -47.33 2.95 Favored Glycine 0 N--CA 1.451 -0.338 0 CA-C-N 115.625 -0.716 . . . . 0.0 113.664 179.363 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -166.62 155.09 10.36 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.14 0.495 . . . . 0.0 111.635 -179.756 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.559 ' HB3' ' HB2' ' A' ' 15' ' ' GLU . 3.9 m -71.66 166.7 21.36 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 114.915 -1.039 . . . . 0.0 111.282 -179.862 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 32.7 mmmt -74.13 160.26 31.47 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 177.729 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 28.9 tpt180 -64.4 75.96 0.04 OUTLIER 'General case' 0 CA--C 1.532 0.27 0 CA-C-O 121.042 0.448 . . . . 0.0 111.188 -179.5 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 159.16 -25.09 0.33 Allowed Glycine 0 N--CA 1.444 -0.784 0 C-N-CA 121.19 -0.529 . . . . 0.0 112.077 -179.285 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.559 ' HB2' ' HB3' ' A' ' 11' ' ' CYS . 52.1 mt-10 -86.01 138.22 32.13 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-O 121.562 0.696 . . . . 0.0 111.799 -179.131 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.41 ' HD3' ' HA ' ' A' ' 16' ' ' ARG . 26.7 mmt180 -102.07 131.45 48.53 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 115.023 -0.99 . . . . 0.0 110.393 178.599 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.543 HG21 ' SG ' ' A' ' 11' ' ' CYS . 10.8 t -64.79 127.26 25.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.591 -179.793 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 60.9 ttp85 -118.59 -22.47 7.49 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.153 179.251 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -167.78 -169.1 30.86 Favored Glycine 0 N--CA 1.446 -0.651 0 C-N-CA 119.983 -1.103 . . . . 0.0 112.82 179.549 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 16.4 p -112.7 143.87 43.18 Favored 'General case' 0 C--N 1.318 -0.769 0 C-N-CA 122.419 0.288 . . . . 0.0 110.31 179.724 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 55.8 m -102.31 -37.29 8.14 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.296 0.57 . . . . 0.0 110.897 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 170.09 -158.39 30.38 Favored Glycine 0 N--CA 1.442 -0.966 0 C-N-CA 120.753 -0.737 . . . . 0.0 111.424 179.731 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.486 ' O ' ' HB2' ' A' ' 24' ' ' ARG . 60.0 mt -62.46 107.17 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 N-CA-C 110.563 -0.162 . . . . 0.0 110.563 179.654 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.486 ' HB2' ' O ' ' A' ' 23' ' ' ILE . 79.7 mtp180 74.8 17.63 2.82 Favored 'General case' 0 N--CA 1.466 0.345 0 O-C-N 124.151 0.907 . . . . 0.0 113.003 179.662 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.405 ' CE2' ' HB3' ' A' ' 8' ' ' LYS . 58.5 m-85 -129.94 130.94 45.74 Favored 'General case' 0 CA--C 1.512 -0.49 0 C-N-CA 120.198 -0.601 . . . . 0.0 110.293 178.592 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 78.2 mt -115.18 141.35 48.13 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-N 115.085 -0.961 . . . . 0.0 110.35 -179.646 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.607 ' CZ ' ' HB2' ' A' ' 4' ' ' CYS . 3.4 t80 -88.5 105.82 17.88 Favored 'General case' 0 C--N 1.316 -0.874 0 N-CA-C 108.137 -1.06 . . . . 0.0 108.137 178.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.4 m -111.99 139.9 47.11 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 115.492 -0.776 . . . . 0.0 111.864 -177.701 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 13.6 m -112.47 123.08 34.84 Favored Pre-proline 0 C--N 1.318 -0.797 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 178.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.524 ' HA ' ' HA ' ' A' ' 15' ' ' GLU . 38.7 Cg_exo -59.43 145.69 97.19 Favored 'Trans proline' 0 N--CA 1.464 -0.234 0 C-N-CA 122.626 2.217 . . . . 0.0 111.574 -179.829 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 28.4 mtp85 -60.81 -37.27 81.4 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.428 -179.44 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.662 ' HD2' ' OXT' ' A' ' 32' ' ' ARG . 0.3 OUTLIER . . . . . 0 C--O 1.248 0.999 0 CA-C-O 117.554 -1.212 . . . . 0.0 108.02 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.849 0 N-CA-C 111.312 -0.715 . . . . 0.0 111.312 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.497 ' N ' HD23 ' A' ' 2' ' ' LEU . 2.6 pt? -162.53 151.8 15.48 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 179.615 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 32.6 tp -159.43 56.35 0.39 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.529 0.681 . . . . 0.0 109.466 -179.616 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.562 ' HB2' ' CZ ' ' A' ' 27' ' ' TYR . 43.2 m -89.03 162.68 15.89 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.165 -179.502 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 26.6 m-85 -117.51 138.02 52.16 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.096 179.652 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 95.7 m -81.67 126.96 32.4 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.026 178.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 62.2 mtt-85 -135.28 139.89 44.74 Favored 'General case' 0 C--N 1.312 -1.056 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.253 179.447 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.638 ' H ' ' HD3' ' A' ' 8' ' ' LYS . 0.3 OUTLIER -81.33 134.64 35.61 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 115.501 -0.772 . . . . 0.0 111.694 -178.867 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 85.81 -53.7 4.71 Favored Glycine 0 N--CA 1.449 -0.498 0 CA-C-N 115.396 -0.82 . . . . 0.0 114.096 178.822 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -174.3 164.77 3.97 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.065 0.459 . . . . 0.0 111.694 -179.534 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.568 ' SG ' HG23 ' A' ' 17' ' ' VAL . 3.3 m -71.21 161.68 30.69 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.084 -0.962 . . . . 0.0 111.135 179.67 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 21.8 tttm -77.98 147.61 34.8 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 107.596 -1.261 . . . . 0.0 107.596 176.803 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 27.7 mmm180 -50.6 110.81 0.45 Allowed 'General case' 0 C--O 1.238 0.45 0 N-CA-C 110.047 -0.353 . . . . 0.0 110.047 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 124.4 -21.75 6.75 Favored Glycine 0 N--CA 1.445 -0.757 0 C-N-CA 120.878 -0.677 . . . . 0.0 112.81 -178.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.599 ' HA ' ' HA ' ' A' ' 30' ' ' PRO . 56.5 mt-10 -94.98 137.27 34.26 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-O 121.707 0.765 . . . . 0.0 111.871 -178.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 15.2 tpt180 -97.05 132.58 42.71 Favored 'General case' 0 C--N 1.314 -0.967 0 CA-C-N 114.547 -1.206 . . . . 0.0 109.391 178.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.568 HG23 ' SG ' ' A' ' 11' ' ' CYS . 13.5 t -62.92 124.56 17.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-O 121.077 0.465 . . . . 0.0 110.944 -179.578 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 29.3 tpt180 -98.65 -33.9 10.77 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.355 -0.839 . . . . 0.0 108.941 178.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 176.5 -160.21 27.62 Favored Glycine 0 N--CA 1.446 -0.683 0 CA-C-N 115.305 -0.861 . . . . 0.0 112.122 179.64 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 13.1 p -106.74 142.46 36.34 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 120.602 0.239 . . . . 0.0 110.931 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 55.0 m -96.8 -37.31 10.32 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.429 0.633 . . . . 0.0 110.37 179.514 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 172.86 -160.66 31.67 Favored Glycine 0 N--CA 1.439 -1.139 0 CA-C-N 115.195 -0.911 . . . . 0.0 111.143 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.51 ' O ' ' HB2' ' A' ' 24' ' ' ARG . 44.7 mm -63.61 106.92 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 N-CA-C 110.385 -0.228 . . . . 0.0 110.385 179.702 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.51 ' HB2' ' O ' ' A' ' 23' ' ' ILE . 90.3 mtm-85 77.39 15.98 1.66 Allowed 'General case' 0 N--CA 1.468 0.45 0 O-C-N 124.249 0.968 . . . . 0.0 112.948 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 55.0 m-85 -128.21 131.71 48.83 Favored 'General case' 0 CA--C 1.512 -0.507 0 CA-C-N 118.637 0.653 . . . . 0.0 110.466 178.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.485 HD11 ' N ' ' A' ' 26' ' ' LEU . 5.5 mp -112.8 142.78 45.05 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 115.13 -0.941 . . . . 0.0 110.383 -179.773 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.562 ' CZ ' ' HB2' ' A' ' 4' ' ' CYS . 6.0 t80 -96.55 109.8 22.32 Favored 'General case' 0 C--N 1.316 -0.86 0 N-CA-C 107.884 -1.154 . . . . 0.0 107.884 179.275 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.8 m -123.23 141.61 51.8 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 113.663 0.986 . . . . 0.0 113.663 -177.153 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.4 m -115.36 129.13 25.36 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 115.179 -0.919 . . . . 0.0 110.159 177.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.599 ' HA ' ' HA ' ' A' ' 15' ' ' GLU . 32.9 Cg_exo -61.17 139.81 85.72 Favored 'Trans proline' 0 C--O 1.233 0.241 0 C-N-CA 122.558 2.172 . . . . 0.0 111.699 179.5 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 5.3 ptm180 -66.42 -34.12 77.23 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.481 -179.383 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 28.1 mtm-85 . . . . . 0 C--O 1.241 0.657 0 O-C-N 123.829 0.705 . . . . 0.0 110.124 -179.513 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.919 0 N-CA-C 111.075 -0.81 . . . . 0.0 111.075 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 98.5 mt -69.24 146.33 52.42 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.811 0.305 . . . . 0.0 110.188 178.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.439 ' O ' ' HD2' ' A' ' 30' ' ' PRO . 56.8 tp -162.04 126.12 3.2 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.325 -0.398 . . . . 0.0 109.949 -179.782 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.596 ' HB2' ' CZ ' ' A' ' 27' ' ' TYR . 10.7 m -147.58 158.46 44.01 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 -179.887 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 54.0 m-85 -133.76 144.99 49.4 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.425 0.631 . . . . 0.0 111.855 -178.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.485 ' HA ' ' O ' ' A' ' 26' ' ' LEU . 72.0 m -90.59 134.14 34.59 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.225 -0.898 . . . . 0.0 109.547 177.763 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.638 ' HB2' ' O ' ' A' ' 10' ' ' HIS . 70.9 mtt-85 -144.79 144.74 31.32 Favored 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 108.809 -0.811 . . . . 0.0 108.809 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 53.2 tttm -66.74 102.21 0.91 Allowed 'General case' 0 C--N 1.316 -0.856 0 N-CA-C 113.428 0.899 . . . . 0.0 113.428 -177.486 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 50.77 40.97 42.6 Favored Glycine 0 C--O 1.228 -0.245 0 CA-C-N 114.112 -1.403 . . . . 0.0 115.87 177.109 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.638 ' O ' ' HB2' ' A' ' 7' ' ' ARG . 1.1 p-80 179.4 163.02 0.9 Allowed 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 117.135 0.468 . . . . 0.0 110.594 178.311 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.54 ' HB3' ' HB2' ' A' ' 15' ' ' GLU . 5.0 m -124.32 161.04 26.71 Favored 'General case' 0 C--N 1.314 -0.975 0 CA-C-N 115.855 -0.612 . . . . 0.0 110.15 179.851 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.605 ' HB3' ' CD ' ' A' ' 15' ' ' GLU . 18.3 tttt -64.98 150.23 48.39 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 107.517 -1.29 . . . . 0.0 107.517 177.088 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 37.2 mmt180 -58.21 96.97 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 179.652 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 131.42 -19.91 4.75 Favored Glycine 0 N--CA 1.445 -0.735 0 C-N-CA 120.92 -0.657 . . . . 0.0 112.179 -178.476 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.61 ' HA ' ' HA ' ' A' ' 30' ' ' PRO . 98.2 mt-10 -81.11 131.67 35.31 Favored 'General case' 0 CA--C 1.515 -0.394 0 CA-C-O 121.413 0.625 . . . . 0.0 111.808 -179.473 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 38.9 ttm180 -94.92 133.09 39.03 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.126 -0.943 . . . . 0.0 110.001 178.306 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 46.5 t -57.77 125.11 13.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 121.27 0.557 . . . . 0.0 111.272 -179.776 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.444 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 13.5 tpt180 -99.56 -35.96 9.69 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.184 -0.916 . . . . 0.0 109.279 179.382 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.537 ' O ' HD11 ' A' ' 26' ' ' LEU . . . 163.17 -157.16 29.2 Favored Glycine 0 N--CA 1.446 -0.689 0 CA-C-N 114.881 -1.054 . . . . 0.0 111.465 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 10.9 p -94.19 142.53 27.29 Favored 'General case' 0 C--N 1.317 -0.84 0 O-C-N 122.968 -0.136 . . . . 0.0 110.825 179.401 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 13.7 t -90.5 -46.57 8.24 Favored 'General case' 0 CA--C 1.513 -0.453 0 CA-C-O 121.984 0.897 . . . . 0.0 109.056 179.172 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 173.98 -153.76 17.85 Favored Glycine 0 N--CA 1.436 -1.347 0 CA-C-N 114.143 -1.39 . . . . 0.0 110.608 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 49.6 mm -58.97 108.23 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-O 120.862 0.363 . . . . 0.0 111.284 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 22.6 mmt85 69.17 23.37 6.42 Favored 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 113.718 1.007 . . . . 0.0 113.718 178.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 71.1 m-85 -133.93 136.08 43.99 Favored 'General case' 0 CA--C 1.507 -0.676 0 CA-C-O 121.711 0.767 . . . . 0.0 111.436 178.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.537 HD11 ' O ' ' A' ' 19' ' ' GLY . 41.0 tp -104.61 143.09 33.54 Favored 'General case' 0 C--N 1.311 -1.079 0 CA-C-N 114.081 -1.418 . . . . 0.0 108.572 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.596 ' CZ ' ' HB2' ' A' ' 4' ' ' CYS . 10.8 t80 -106.79 112.54 25.57 Favored 'General case' 0 C--N 1.301 -1.507 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 -179.14 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.7 m -120.18 137.91 53.92 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-O 121.122 0.487 . . . . 0.0 111.671 -178.585 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.444 ' SG ' ' HB2' ' A' ' 18' ' ' ARG . 82.6 m -102.54 118.9 57.59 Favored Pre-proline 0 C--N 1.32 -0.678 0 N-CA-C 108.752 -0.833 . . . . 0.0 108.752 178.186 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.61 ' HA ' ' HA ' ' A' ' 15' ' ' GLU . 34.3 Cg_exo -62.92 135.42 51.55 Favored 'Trans proline' 0 CA--C 1.512 -0.605 0 C-N-CA 122.725 2.284 . . . . 0.0 112.972 -178.668 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 30.3 tpt180 -77.27 -30.55 54.4 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 107.731 -1.211 . . . . 0.0 107.731 177.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 11.6 tpt180 . . . . . 0 C--O 1.244 0.787 0 CA-C-N 114.091 -1.413 . . . . 0.0 107.907 179.119 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 15.7 m-85 . . . . . 0 CA--C 1.517 -0.289 0 CA-C-O 121.301 0.572 . . . . 0.0 112.011 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 98.2 m -80.99 135.95 35.94 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.14 -0.936 . . . . 0.0 109.365 177.432 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 74.3 mmt-85 -124.63 146.86 48.85 Favored 'General case' 0 C--N 1.311 -1.107 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.551 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.676 ' HG2' ' CE2' ' A' ' 25' ' ' PHE . 43.9 mtpt -91.27 119.84 31.67 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.779 -179.123 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 75.73 -44.74 1.79 Allowed Glycine 0 N--CA 1.452 -0.283 0 CA-C-N 116.043 -0.526 . . . . 0.0 114.234 179.168 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -167.54 157.04 10.26 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.153 0.501 . . . . 0.0 112.01 -179.148 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.588 ' SG ' HG22 ' A' ' 17' ' ' VAL . 3.6 m -79.71 165.91 22.34 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.015 -0.993 . . . . 0.0 110.786 179.743 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 50.8 mtmt -80.46 165.36 22.25 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 178.113 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -66.72 70.4 0.08 Allowed 'General case' 0 N--CA 1.466 0.375 0 CA-C-O 121.002 0.43 . . . . 0.0 111.402 179.667 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 168.83 -26.24 0.12 Allowed Glycine 0 N--CA 1.443 -0.895 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.575 -179.318 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.575 ' HA ' ' HA ' ' A' ' 30' ' ' PRO . 26.1 mt-10 -96.46 124.24 40.39 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-O 121.025 0.441 . . . . 0.0 110.427 -179.739 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.467 ' HD3' ' HA ' ' A' ' 16' ' ' ARG . 19.1 mmt85 -93.88 137.13 33.44 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.86 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.588 HG22 ' SG ' ' A' ' 11' ' ' CYS . 16.7 t -61.7 125.91 18.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.983 -179.682 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.89 -30.72 8.34 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.533 -0.758 . . . . 0.0 109.335 179.144 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -174.25 -161.1 23.62 Favored Glycine 0 N--CA 1.446 -0.636 0 C-N-CA 120.585 -0.817 . . . . 0.0 112.405 179.787 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 16.6 p -111.31 143.02 42.77 Favored 'General case' 0 C--N 1.32 -0.693 0 C-N-CA 122.201 0.2 . . . . 0.0 111.033 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 39.7 m -99.28 -35.82 9.83 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.505 0.669 . . . . 0.0 110.255 179.288 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 171.31 -159.86 31.81 Favored Glycine 0 N--CA 1.439 -1.101 0 CA-C-N 115.304 -0.862 . . . . 0.0 111.066 179.785 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.558 ' H ' HD12 ' A' ' 23' ' ' ILE . 4.3 mp -64.36 109.1 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 N-CA-C 109.941 -0.392 . . . . 0.0 109.941 179.496 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.478 ' HB2' ' O ' ' A' ' 23' ' ' ILE . 61.6 mtp85 75.22 16.52 2.74 Favored 'General case' 0 N--CA 1.466 0.372 0 O-C-N 124.019 0.824 . . . . 0.0 112.697 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.676 ' CE2' ' HG2' ' A' ' 8' ' ' LYS . 14.0 m-85 -128.2 132.4 48.83 Favored 'General case' 0 CA--C 1.513 -0.469 0 CA-C-O 121.121 0.486 . . . . 0.0 110.004 178.861 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 72.8 mt -117.96 140.47 49.68 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.685 -179.307 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -89.24 107.87 19.3 Favored 'General case' 0 C--N 1.317 -0.844 0 N-CA-C 107.84 -1.17 . . . . 0.0 107.84 178.758 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 3.9 m -110.98 140.37 45.56 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.934 -177.715 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 35.0 m -114.83 121.26 35.81 Favored Pre-proline 0 C--N 1.319 -0.76 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.282 178.51 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.575 ' HA ' ' HA ' ' A' ' 15' ' ' GLU . 51.7 Cg_exo . . . . . 0 C--O 1.232 0.199 0 C-N-CA 122.862 2.374 . . . . 0.0 111.473 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 51.7 m-85 . . . . . 0 C--O 1.233 0.198 0 CA-C-O 120.936 0.398 . . . . 0.0 111.498 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 91.8 m -81.07 133.02 35.4 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.394 177.761 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 58.5 mtt-85 -137.82 139.59 40.05 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-O 121.06 0.457 . . . . 0.0 110.085 179.615 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.461 ' HA ' ' O ' ' A' ' 24' ' ' ARG . 0.0 OUTLIER -82.46 133.55 35.21 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 115.525 -0.761 . . . . 0.0 112.021 -178.798 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 87.12 -55.6 4.58 Favored Glycine 0 N--CA 1.451 -0.312 0 CA-C-N 115.242 -0.89 . . . . 0.0 113.355 179.423 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -175.05 165.82 3.47 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.88 0.371 . . . . 0.0 111.136 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.651 ' SG ' HG22 ' A' ' 17' ' ' VAL . 3.7 m -72.04 160.66 32.12 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.291 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.499 ' HB3' ' OE1' ' A' ' 15' ' ' GLU . 13.0 ttpp -87.24 151.14 23.41 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 107.358 -1.349 . . . . 0.0 107.358 177.01 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 53.2 mmm-85 -48.84 116.46 1.65 Allowed 'General case' 0 C--O 1.235 0.295 0 CA-C-O 120.764 0.316 . . . . 0.0 110.378 -179.749 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 123.36 -30.99 4.8 Favored Glycine 0 N--CA 1.445 -0.759 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.644 -178.905 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.574 ' HA ' ' HA ' ' A' ' 30' ' ' PRO . 3.4 mt-10 -97.73 131.29 44.4 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-O 121.257 0.551 . . . . 0.0 111.793 -179.211 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 47.4 mmm-85 -94.52 138.27 32.63 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.141 179.317 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.651 HG22 ' SG ' ' A' ' 11' ' ' CYS . 11.0 t -64.98 123.8 18.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-O 120.908 0.385 . . . . 0.0 111.14 -179.737 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.629 ' HD2' ' SG ' ' A' ' 29' ' ' CYS . 51.4 ttt-85 -100.72 -34.05 10.01 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.071 -0.715 . . . . 0.0 109.071 178.65 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 176.8 -158.05 23.7 Favored Glycine 0 N--CA 1.446 -0.639 0 CA-C-N 115.371 -0.831 . . . . 0.0 112.45 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 7.9 p -107.17 143.34 35.5 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 120.583 0.23 . . . . 0.0 111.314 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.413 ' SG ' ' HB2' ' A' ' 27' ' ' TYR . 49.9 m -99.38 -38.15 8.95 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.325 0.583 . . . . 0.0 110.513 179.436 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 175.04 -157.02 23.66 Favored Glycine 0 N--CA 1.442 -0.952 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.603 179.791 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.487 ' O ' ' HB2' ' A' ' 24' ' ' ARG . 46.7 mm -61.54 103.6 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 120.532 0.206 . . . . 0.0 110.963 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.487 ' HB2' ' O ' ' A' ' 23' ' ' ILE . 0.9 OUTLIER 74.66 15.53 3.26 Favored 'General case' 0 N--CA 1.469 0.478 0 O-C-N 124.108 0.88 . . . . 0.0 112.961 179.775 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 34.0 m-85 -124.11 133.59 53.57 Favored 'General case' 0 CA--C 1.512 -0.514 0 CA-C-N 118.479 0.581 . . . . 0.0 110.04 178.782 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.6 mp -115.28 144.13 44.2 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.028 -179.741 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.413 ' HB2' ' SG ' ' A' ' 21' ' ' CYS . 3.9 t80 -94.43 112.56 24.34 Favored 'General case' 0 C--N 1.316 -0.867 0 N-CA-C 108.158 -1.053 . . . . 0.0 108.158 179.204 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 10.9 m -117.01 139.56 50.53 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-N 116.122 -0.49 . . . . 0.0 112.264 -177.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.629 ' SG ' ' HD2' ' A' ' 18' ' ' ARG . 38.9 m -112.25 125.76 29.57 Favored Pre-proline 0 C--N 1.32 -0.698 0 CA-C-N 115.505 -0.771 . . . . 0.0 109.672 178.912 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.574 ' HA ' ' HA ' ' A' ' 15' ' ' GLU . 31.2 Cg_exo . . . . . 0 CA--C 1.52 -0.21 0 C-N-CA 122.879 2.386 . . . . 0.0 112.059 -179.708 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 89.6 m-85 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.924 0.392 . . . . 0.0 111.536 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 69.1 m -84.12 132.7 34.67 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.165 177.592 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.46 ' HE ' ' CD ' ' A' ' 15' ' ' GLU . 69.8 mtt-85 -136.27 143.45 44.25 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-O 121.399 0.618 . . . . 0.0 110.769 179.725 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 63.1 tttm -83.24 126.5 32.72 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.043 -0.98 . . . . 0.0 111.849 -178.66 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 88.29 -54.36 4.2 Favored Glycine 0 N--CA 1.448 -0.526 0 CA-C-N 115.558 -0.746 . . . . 0.0 114.711 178.228 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -172.02 158.2 4.61 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.576 0.584 . . . . 0.0 112.576 -178.716 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.554 ' SG ' HG22 ' A' ' 17' ' ' VAL . 3.3 m -72.92 162.39 29.55 Favored 'General case' 0 C--O 1.24 0.571 0 CA-C-N 115.054 -0.976 . . . . 0.0 111.453 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 61.0 tttp -72.36 156.45 39.07 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 108.092 -1.077 . . . . 0.0 108.092 177.283 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.531 ' HA ' ' CZ ' ' A' ' 13' ' ' ARG . 8.9 mmp_? -67.93 78.53 0.22 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.28 0.562 . . . . 0.0 110.487 -179.742 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 163.9 -22.86 0.17 Allowed Glycine 0 N--CA 1.443 -0.891 0 CA-C-N 115.067 -0.97 . . . . 0.0 111.204 -178.65 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.612 ' HA ' ' HA ' ' A' ' 30' ' ' PRO . 46.5 mt-10 -92.56 139.92 30.09 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-O 121.548 0.689 . . . . 0.0 111.571 -179.456 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -98.94 131.8 44.74 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-N 114.8 -1.091 . . . . 0.0 109.061 178.892 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.554 HG22 ' SG ' ' A' ' 11' ' ' CYS . 21.2 t -62.16 123.59 15.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 121.147 0.499 . . . . 0.0 110.851 -179.707 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.545 ' HD2' ' SG ' ' A' ' 29' ' ' CYS . 41.6 ttt85 -97.03 -36.71 10.42 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.409 -0.814 . . . . 0.0 108.864 179.096 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 177.64 -159.14 24.87 Favored Glycine 0 N--CA 1.447 -0.617 0 CA-C-N 115.192 -0.913 . . . . 0.0 112.531 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 17.0 p -105.52 141.96 36.09 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 120.658 0.266 . . . . 0.0 111.355 -179.715 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.468 ' SG ' ' HB2' ' A' ' 27' ' ' TYR . 61.9 m -100.56 -37.61 8.72 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.183 0.516 . . . . 0.0 110.812 179.281 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 174.89 -157.87 25.3 Favored Glycine 0 N--CA 1.444 -0.786 0 C-N-CA 120.752 -0.737 . . . . 0.0 111.825 179.757 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.507 ' O ' ' HB2' ' A' ' 24' ' ' ARG . 57.6 mt -62.12 99.83 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 120.661 0.267 . . . . 0.0 110.849 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.76 ' HA ' ' HE ' ' A' ' 24' ' ' ARG . 1.6 mmp_? 75.58 20.23 1.93 Allowed 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 115.265 -0.879 . . . . 0.0 112.903 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 43.8 m-85 -124.19 132.84 53.64 Favored 'General case' 0 CA--C 1.512 -0.502 0 N-CA-C 109.438 -0.579 . . . . 0.0 109.438 177.882 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 80.6 mt -117.39 142.69 46.81 Favored 'General case' 0 C--N 1.313 -1.001 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.459 -179.186 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.468 ' HB2' ' SG ' ' A' ' 21' ' ' CYS . 3.4 t80 -94.26 110.62 22.35 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 107.583 -1.266 . . . . 0.0 107.583 178.865 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 4.4 m -117.69 143.43 46.2 Favored 'General case' 0 C--N 1.313 -0.984 0 N-CA-C 112.26 0.467 . . . . 0.0 112.26 -177.43 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.545 ' SG ' ' HD2' ' A' ' 18' ' ' ARG . 17.1 m -116.88 121.95 32.09 Favored Pre-proline 0 C--N 1.321 -0.653 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.366 178.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.612 ' HA ' ' HA ' ' A' ' 15' ' ' GLU . 50.7 Cg_exo . . . . . 0 C--O 1.233 0.243 0 C-N-CA 122.733 2.289 . . . . 0.0 112.235 -179.794 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 . . . . . 0 N--CA 1.462 0.148 0 CA-C-O 121.005 0.431 . . . . 0.0 111.202 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 89.2 m -86.42 131.16 34.26 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.504 -0.771 . . . . 0.0 109.239 177.807 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.442 ' HE ' ' CD ' ' A' ' 15' ' ' GLU . 71.2 mtt-85 -134.27 148.66 50.84 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-O 121.116 0.484 . . . . 0.0 111.143 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.466 ' HA ' ' O ' ' A' ' 24' ' ' ARG . 54.1 mtmt -79.68 126.14 30.55 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.347 -0.842 . . . . 0.0 112.225 -178.757 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 76.56 -48.32 2.56 Favored Glycine 0 N--CA 1.451 -0.361 0 N-CA-C 115.396 0.918 . . . . 0.0 115.396 177.608 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 26.4 p-80 -167.45 162.5 14.58 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 117.709 0.755 . . . . 0.0 112.672 -178.445 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.586 ' HB3' ' HB2' ' A' ' 15' ' ' GLU . 3.5 m -76.3 165.53 24.74 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 114.315 -1.312 . . . . 0.0 110.669 179.061 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.524 ' HG2' ' OE1' ' A' ' 15' ' ' GLU . 9.9 ptmm? -89.56 156.73 18.42 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 107.8 -1.185 . . . . 0.0 107.8 176.806 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 39.7 mmt180 -52.01 114.16 1.23 Allowed 'General case' 0 C--O 1.236 0.388 0 CA-C-O 120.894 0.378 . . . . 0.0 110.197 -179.707 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 127.36 -31.72 3.74 Favored Glycine 0 N--CA 1.446 -0.664 0 C-N-CA 120.85 -0.69 . . . . 0.0 112.657 -178.88 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.586 ' HB2' ' HB3' ' A' ' 11' ' ' CYS . 63.4 mt-10 -90.22 142.81 27.35 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-O 121.477 0.656 . . . . 0.0 111.715 -179.269 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.47 ' HD2' ' O ' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -105.83 137.59 43.46 Favored 'General case' 0 C--N 1.313 -1.006 0 CA-C-N 114.793 -1.094 . . . . 0.0 108.468 178.397 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.42 HG22 ' SG ' ' A' ' 11' ' ' CYS . 27.7 t -65.01 123.93 18.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-O 121.164 0.507 . . . . 0.0 111.027 -178.92 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.435 ' HD3' ' O ' ' A' ' 18' ' ' ARG . 4.2 tmt_? -98.48 -35.33 10.3 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 108.517 -0.92 . . . . 0.0 108.517 179.119 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 173.19 -158.5 28.18 Favored Glycine 0 N--CA 1.448 -0.547 0 CA-C-N 115.285 -0.871 . . . . 0.0 112.342 179.622 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 7.9 p -106.27 143.5 34.3 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-O 120.599 0.238 . . . . 0.0 110.948 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 58.4 m -98.21 -38.03 9.45 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.522 0.677 . . . . 0.0 110.347 179.513 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 171.24 -157.12 27.6 Favored Glycine 0 N--CA 1.441 -1.019 0 CA-C-N 115.194 -0.912 . . . . 0.0 111.063 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.467 ' O ' ' HB2' ' A' ' 24' ' ' ARG . 49.9 mm -61.87 110.28 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-O 120.575 0.226 . . . . 0.0 110.477 179.606 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.467 ' HB2' ' O ' ' A' ' 23' ' ' ILE . 19.4 mmt85 72.28 14.92 5.42 Favored 'General case' 0 N--CA 1.465 0.291 0 N-CA-C 113.291 0.849 . . . . 0.0 113.291 179.608 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 19.5 m-85 -127.49 132.57 49.96 Favored 'General case' 0 CA--C 1.511 -0.525 0 CA-C-N 118.704 0.684 . . . . 0.0 110.954 179.081 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 6.1 mp -116.41 143.19 45.88 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 115.069 -0.969 . . . . 0.0 109.368 179.345 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -95.44 113.57 25.25 Favored 'General case' 0 C--N 1.314 -0.952 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 179.766 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.4 m -116.9 145.11 43.8 Favored 'General case' 0 C--N 1.314 -0.948 0 CA-C-O 121.228 0.537 . . . . 0.0 112.014 -178.608 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 8.8 m -130.53 130.08 22.88 Favored Pre-proline 0 C--N 1.321 -0.633 0 CA-C-N 115.395 -0.82 . . . . 0.0 108.983 179.055 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.543 ' HA ' ' HA ' ' A' ' 15' ' ' GLU . 82.8 Cg_exo . . . . . 0 C--O 1.235 0.348 0 C-N-CA 123.479 2.786 . . . . 0.0 113.615 -179.667 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 47.0 m-85 . . . . . 0 N--CA 1.452 -0.352 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 96.1 m -79.19 128.32 33.15 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.149 0.5 . . . . 0.0 109.892 178.85 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.474 ' HG3' ' HA ' ' A' ' 11' ' ' CYS . 32.4 mmt180 -123.63 143.09 50.45 Favored 'General case' 0 C--N 1.311 -1.077 0 CA-C-N 115.438 -0.801 . . . . 0.0 109.663 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 20.8 ptmt -88.09 123.54 32.87 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-O 121.15 0.5 . . . . 0.0 111.699 -179.239 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 78.28 -45.0 2.5 Favored Glycine 0 N--CA 1.452 -0.272 0 CA-C-N 115.732 -0.667 . . . . 0.0 114.053 178.871 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -167.23 156.6 10.45 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.833 0.349 . . . . 0.0 111.321 -179.424 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.671 ' SG ' HG22 ' A' ' 17' ' ' VAL . 4.6 m -69.21 161.46 29.15 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.257 -0.883 . . . . 0.0 111.563 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.425 ' HE2' ' HB3' ' A' ' 12' ' ' LYS . 2.7 tmmm? -75.71 143.06 42.29 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 107.173 -1.417 . . . . 0.0 107.173 177.505 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.406 ' N ' ' HD2' ' A' ' 12' ' ' LYS . 26.8 mmm180 -48.42 105.34 0.07 Allowed 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 120.857 0.36 . . . . 0.0 111.274 -179.162 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 126.21 -23.63 5.77 Favored Glycine 0 N--CA 1.448 -0.559 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.344 -179.151 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.577 ' HA ' ' HA ' ' A' ' 30' ' ' PRO . 78.8 mt-10 -90.33 131.52 36.08 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-O 121.35 0.595 . . . . 0.0 111.11 -179.504 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 92.0 mtt180 -92.32 136.67 33.01 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.148 -0.933 . . . . 0.0 110.701 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.671 HG22 ' SG ' ' A' ' 11' ' ' CYS . 13.0 t -67.79 123.07 20.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-O 121.245 0.545 . . . . 0.0 110.846 179.756 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.413 ' NE ' ' HA ' ' A' ' 18' ' ' ARG . 7.7 tpm_? -102.97 -33.24 9.37 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.385 179.067 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -176.13 -159.37 21.71 Favored Glycine 0 N--CA 1.447 -0.616 0 CA-C-N 115.572 -0.74 . . . . 0.0 112.207 179.557 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 11.7 p -111.91 142.88 43.75 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 120.717 0.294 . . . . 0.0 111.181 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 42.7 m -97.67 -38.81 9.37 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.243 0.544 . . . . 0.0 110.725 179.404 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 171.92 -151.04 13.99 Favored Glycine 0 N--CA 1.444 -0.807 0 C-N-CA 120.716 -0.755 . . . . 0.0 112.054 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.638 ' H ' HD12 ' A' ' 23' ' ' ILE . 4.3 mp -61.55 103.64 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 120.892 0.377 . . . . 0.0 110.68 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.485 ' HA ' ' NE ' ' A' ' 24' ' ' ARG . 0.0 OUTLIER 67.96 22.93 8.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.275 -0.875 . . . . 0.0 112.133 -179.905 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 51.6 m-85 -124.15 132.11 53.6 Favored 'General case' 0 CA--C 1.512 -0.484 0 N-CA-C 109.727 -0.472 . . . . 0.0 109.727 178.793 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.8 mp -118.42 140.51 49.74 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.495 -179.452 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -91.33 110.3 21.59 Favored 'General case' 0 C--N 1.317 -0.813 0 N-CA-C 107.702 -1.222 . . . . 0.0 107.702 179.09 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 4.8 m -120.97 136.55 54.95 Favored 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 113.179 0.807 . . . . 0.0 113.179 -176.792 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.424 ' HA ' ' HD3' ' A' ' 30' ' ' PRO . 1.6 m -105.42 126.82 29.91 Favored Pre-proline 0 C--N 1.323 -0.557 0 CA-C-N 115.657 -0.702 . . . . 0.0 110.406 177.876 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.577 ' HA ' ' HA ' ' A' ' 15' ' ' GLU . 37.8 Cg_exo . . . . . 0 C--O 1.234 0.3 0 C-N-CA 123.218 2.612 . . . . 0.0 113.161 -179.33 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 80.8 m-85 . . . . . 0 C--O 1.233 0.221 0 CA-C-O 120.751 0.31 . . . . 0.0 111.074 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 86.7 m -79.83 132.3 36.08 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 177.728 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.468 ' HG3' ' HA ' ' A' ' 11' ' ' CYS . 33.8 mmt180 -125.89 137.88 53.76 Favored 'General case' 0 C--N 1.313 -0.994 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 179.739 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.714 ' HD3' ' H ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -88.53 127.95 35.55 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-O 121.245 0.545 . . . . 0.0 110.587 -179.826 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 87.4 -52.2 4.27 Favored Glycine 0 N--CA 1.45 -0.398 0 CA-C-N 115.319 -0.855 . . . . 0.0 112.958 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -174.75 157.78 2.54 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.992 0.425 . . . . 0.0 111.096 179.539 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.644 ' SG ' HG22 ' A' ' 17' ' ' VAL . 3.2 m -69.41 164.92 21.94 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 114.973 -1.012 . . . . 0.0 112.03 -179.323 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 50.8 tptt -71.4 161.4 31.12 Favored 'General case' 0 N--CA 1.451 -0.396 0 N-CA-C 108.456 -0.942 . . . . 0.0 108.456 178.022 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 18.9 mmt85 -65.87 69.97 0.05 Allowed 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 121.104 0.478 . . . . 0.0 111.589 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 163.19 -18.11 0.14 Allowed Glycine 0 N--CA 1.441 -0.995 0 CA-C-N 115.977 -0.556 . . . . 0.0 112.325 -179.4 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.621 ' HB2' ' HB3' ' A' ' 11' ' ' CYS . 60.0 mt-10 -88.33 132.34 34.45 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-O 121.709 0.766 . . . . 0.0 111.821 -179.2 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 8.8 tpt180 -89.77 126.39 35.65 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-N 114.541 -1.209 . . . . 0.0 109.791 178.825 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.644 HG22 ' SG ' ' A' ' 11' ' ' CYS . 17.0 t -62.71 120.59 9.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 121.081 0.467 . . . . 0.0 110.863 -179.867 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.592 ' HD2' ' SG ' ' A' ' 29' ' ' CYS . 49.5 ttt85 -96.78 -35.45 10.96 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.417 -0.81 . . . . 0.0 109.328 179.34 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 177.82 -156.29 19.34 Favored Glycine 0 N--CA 1.448 -0.562 0 CA-C-N 115.292 -0.867 . . . . 0.0 112.458 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 12.3 p -109.62 142.53 40.62 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 120.702 0.287 . . . . 0.0 111.405 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 54.1 m -98.79 -38.39 9.08 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.363 0.602 . . . . 0.0 110.491 179.331 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 175.64 -157.39 23.71 Favored Glycine 0 N--CA 1.443 -0.889 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.612 179.705 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.516 ' O ' ' HB2' ' A' ' 24' ' ' ARG . 48.9 mm -63.3 103.15 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 120.638 0.256 . . . . 0.0 110.8 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.516 ' HB2' ' O ' ' A' ' 23' ' ' ILE . 0.0 OUTLIER 77.09 14.74 1.92 Allowed 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 115.354 -0.839 . . . . 0.0 112.616 -179.949 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 36.8 m-85 -123.51 132.17 53.84 Favored 'General case' 0 CA--C 1.513 -0.454 0 C-N-CA 120.415 -0.514 . . . . 0.0 109.631 178.649 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.0 mp -116.78 141.8 47.75 Favored 'General case' 0 C--N 1.312 -1.053 0 CA-C-N 115.5 -0.773 . . . . 0.0 109.936 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -90.13 111.88 23.17 Favored 'General case' 0 C--N 1.317 -0.837 0 N-CA-C 107.793 -1.188 . . . . 0.0 107.793 178.855 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 4.6 m -119.44 140.62 50.14 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-O 121.163 0.506 . . . . 0.0 112.184 -177.356 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.592 ' SG ' ' HD2' ' A' ' 18' ' ' ARG . 21.0 m -112.51 120.67 40.71 Favored Pre-proline 0 C--N 1.322 -0.625 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.246 178.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.587 ' HA ' ' HA ' ' A' ' 15' ' ' GLU . 31.3 Cg_exo . . . . . 0 N--CA 1.464 -0.219 0 C-N-CA 122.649 2.232 . . . . 0.0 112.059 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 . . . . . 0 N--CA 1.455 -0.192 0 CA-C-O 120.992 0.425 . . . . 0.0 111.367 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 84.6 m -84.78 133.13 34.36 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.237 177.913 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.414 ' HD2' ' HA ' ' A' ' 11' ' ' CYS . 60.1 mtt-85 -140.34 144.37 36.26 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-O 121.13 0.491 . . . . 0.0 110.458 179.842 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.413 ' HA ' ' O ' ' A' ' 24' ' ' ARG . 60.5 pttt -86.1 131.04 34.34 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.723 -179.094 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 81.49 -49.61 4.06 Favored Glycine 0 N--CA 1.451 -0.355 0 CA-C-N 115.456 -0.793 . . . . 0.0 114.507 178.679 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 26.4 p-80 -166.57 159.22 14.06 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.377 0.608 . . . . 0.0 112.208 -179.14 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.483 ' SG ' HG22 ' A' ' 17' ' ' VAL . 9.5 m -78.4 169.25 18.56 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 114.423 -1.262 . . . . 0.0 111.144 179.47 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 20.8 ttpp -90.73 146.22 24.17 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 107.899 -1.149 . . . . 0.0 107.899 177.096 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 38.1 tpt85 -46.05 105.29 0.06 Allowed 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 121.102 0.477 . . . . 0.0 111.231 -179.187 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 133.54 -34.36 2.43 Favored Glycine 0 N--CA 1.448 -0.525 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.939 -179.113 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.557 ' HA ' ' HA ' ' A' ' 30' ' ' PRO . 6.3 mt-10 -93.55 136.6 33.66 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.957 0.408 . . . . 0.0 110.68 -179.878 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 34.6 tpt85 -111.96 134.94 53.2 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.221 -0.445 . . . . 0.0 109.801 179.536 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.483 HG22 ' SG ' ' A' ' 11' ' ' CYS . 21.6 t -55.52 127.34 14.27 Favored 'Isoleucine or valine' 0 C--O 1.236 0.373 0 CA-C-O 121.043 0.449 . . . . 0.0 111.037 -179.401 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.653 ' HA ' ' HE ' ' A' ' 18' ' ' ARG . 3.5 mmp_? -117.84 -28.23 6.0 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.949 179.447 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -166.87 -162.17 17.83 Favored Glycine 0 N--CA 1.445 -0.708 0 C-N-CA 120.345 -0.931 . . . . 0.0 112.137 179.19 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 11.8 p -116.49 143.28 45.78 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 110.442 -0.207 . . . . 0.0 110.442 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.8 t -94.21 -41.06 9.68 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.782 0.801 . . . . 0.0 109.565 179.644 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 174.46 -155.6 21.52 Favored Glycine 0 N--CA 1.439 -1.162 0 CA-C-N 114.775 -1.102 . . . . 0.0 111.125 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.614 ' H ' HD12 ' A' ' 23' ' ' ILE . 4.3 mp -61.1 109.98 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-O 120.708 0.29 . . . . 0.0 110.686 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.467 ' HA ' ' NE ' ' A' ' 24' ' ' ARG . 14.1 mmp_? 72.47 14.94 5.21 Favored 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 113.645 0.979 . . . . 0.0 113.645 179.37 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 40.6 m-85 -127.05 132.76 50.61 Favored 'General case' 0 CA--C 1.512 -0.499 0 CA-C-N 118.826 0.739 . . . . 0.0 110.535 178.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.3 mp -110.48 143.93 40.05 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-N 115.084 -0.962 . . . . 0.0 109.653 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -95.15 110.06 22.07 Favored 'General case' 0 C--N 1.314 -0.967 0 N-CA-C 108.109 -1.071 . . . . 0.0 108.109 179.295 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 13.5 m -108.25 139.04 43.53 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 115.576 -0.738 . . . . 0.0 112.239 -177.522 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.535 ' SG ' ' HG3' ' A' ' 18' ' ' ARG . 59.0 m -122.76 133.95 24.73 Favored Pre-proline 0 C--N 1.32 -0.708 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 178.303 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.557 ' HA ' ' HA ' ' A' ' 15' ' ' GLU . 49.8 Cg_exo . . . . . 0 N--CA 1.465 -0.176 0 C-N-CA 122.459 2.106 . . . . 0.0 111.987 -179.58 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 39.8 m-85 . . . . . 0 N--CA 1.452 -0.348 0 N-CA-C 109.43 -0.581 . . . . 0.0 109.43 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 93.6 m -84.44 128.32 34.52 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 121.099 0.476 . . . . 0.0 110.325 179.389 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.421 ' HE ' ' CD ' ' A' ' 15' ' ' GLU . 61.8 mtt-85 -137.11 140.78 42.15 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.112 179.555 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 25.3 pttm -84.16 132.95 34.63 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.444 -179.359 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 88.23 -52.73 4.11 Favored Glycine 0 N--CA 1.449 -0.475 0 CA-C-N 115.681 -0.69 . . . . 0.0 114.061 179.092 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' HIS . . . . . 0.426 ' HA ' HD12 ' A' ' 26' ' ' LEU . 0.5 OUTLIER -173.28 163.44 4.57 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.122 0.487 . . . . 0.0 112.184 -179.417 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.612 ' SG ' HG22 ' A' ' 17' ' ' VAL . 3.7 m -72.14 169.47 16.01 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 114.857 -1.065 . . . . 0.0 111.171 179.625 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 50.2 tptt -74.07 161.02 30.46 Favored 'General case' 0 N--CA 1.45 -0.463 0 N-CA-C 108.174 -1.047 . . . . 0.0 108.174 177.508 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 20.4 mmm180 -66.0 70.13 0.06 Allowed 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 120.89 0.376 . . . . 0.0 111.82 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 160.63 -18.96 0.21 Allowed Glycine 0 N--CA 1.444 -0.81 0 CA-C-N 116.024 -0.535 . . . . 0.0 112.011 -179.5 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.586 ' HA ' ' HA ' ' A' ' 30' ' ' PRO . 93.6 mt-10 -84.53 141.73 30.52 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-O 121.431 0.634 . . . . 0.0 111.914 -179.264 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 36.0 mmt180 -101.62 132.73 47.14 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.238 -0.892 . . . . 0.0 109.273 178.737 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.612 HG22 ' SG ' ' A' ' 11' ' ' CYS . 17.7 t -62.98 124.85 18.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 121.075 0.464 . . . . 0.0 110.934 -179.257 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 28.7 tpt180 -101.46 -33.46 9.96 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.066 179.16 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 176.17 -160.33 28.12 Favored Glycine 0 N--CA 1.444 -0.801 0 CA-C-N 115.223 -0.898 . . . . 0.0 112.068 179.618 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 15.8 p -104.89 142.21 35.16 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-O 120.461 0.172 . . . . 0.0 110.962 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.416 ' HB3' ' CB ' ' A' ' 25' ' ' PHE . 7.9 t -90.5 -42.02 11.08 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 122.089 0.947 . . . . 0.0 108.93 178.856 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 173.0 -157.46 26.59 Favored Glycine 0 N--CA 1.438 -1.201 0 CA-C-N 114.192 -1.367 . . . . 0.0 110.558 179.814 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.434 ' O ' ' HB2' ' A' ' 24' ' ' ARG . 61.0 mt -61.27 109.96 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-O 120.576 0.227 . . . . 0.0 110.882 179.802 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.434 ' HB2' ' O ' ' A' ' 23' ' ' ILE . 68.3 mtp85 72.71 18.62 4.18 Favored 'General case' 0 N--CA 1.465 0.316 0 N-CA-C 113.436 0.902 . . . . 0.0 113.436 179.191 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.416 ' CB ' ' HB3' ' A' ' 21' ' ' CYS . 62.6 m-85 -132.13 132.35 43.17 Favored 'General case' 0 CA--C 1.513 -0.466 0 CA-C-N 118.611 0.641 . . . . 0.0 110.236 178.652 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.426 HD12 ' HA ' ' A' ' 10' ' ' HIS . 86.7 mt -109.5 143.53 39.01 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-N 115.206 -0.906 . . . . 0.0 110.022 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -101.12 107.92 19.46 Favored 'General case' 0 C--N 1.315 -0.909 0 N-CA-C 107.816 -1.179 . . . . 0.0 107.816 179.173 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 6.4 m -120.06 139.36 52.65 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 113.281 0.845 . . . . 0.0 113.281 -176.793 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.405 ' HA ' ' HD3' ' A' ' 30' ' ' PRO . 1.4 m -105.98 125.74 32.39 Favored Pre-proline 0 C--N 1.326 -0.415 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.33 177.867 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.586 ' HA ' ' HA ' ' A' ' 15' ' ' GLU . 34.3 Cg_exo . . . . . 0 C--O 1.235 0.34 0 C-N-CA 122.761 2.307 . . . . 0.0 111.853 179.697 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 29.6 m-85 . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.82 0.343 . . . . 0.0 111.141 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 68.5 m -101.35 136.0 41.91 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 177.705 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.535 ' HD2' ' HA ' ' A' ' 11' ' ' CYS . 0.0 OUTLIER -132.63 156.0 47.72 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.725 179.705 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.461 ' HG2' ' CZ ' ' A' ' 25' ' ' PHE . 59.8 mttp -81.3 129.37 34.58 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.501 -179.514 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 74.56 -47.94 1.83 Allowed Glycine 0 N--CA 1.452 -0.258 0 N-CA-C 115.379 0.912 . . . . 0.0 115.379 177.885 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' HIS . . . . . 0.66 ' HA ' HD12 ' A' ' 26' ' ' LEU . 0.5 OUTLIER -167.49 166.4 14.29 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 117.507 0.654 . . . . 0.0 112.481 -178.395 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.665 ' SG ' HG22 ' A' ' 17' ' ' VAL . 3.2 m -75.86 161.54 28.9 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.24 -0.891 . . . . 0.0 111.194 179.653 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.648 ' HB3' ' OE1' ' A' ' 15' ' ' GLU . 0.0 OUTLIER -84.82 148.38 26.34 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 107.402 -1.333 . . . . 0.0 107.402 176.958 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 24.3 mmt85 -46.63 111.33 0.37 Allowed 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 120.948 0.404 . . . . 0.0 111.63 -178.878 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 123.86 -26.3 5.94 Favored Glycine 0 N--CA 1.447 -0.591 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.719 -179.593 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.648 ' OE1' ' HB3' ' A' ' 12' ' ' LYS . 26.7 mt-10 -96.11 132.05 41.9 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-O 121.5 0.667 . . . . 0.0 111.469 -179.093 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 4.3 tpm_? -95.5 136.36 35.98 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.14 -0.936 . . . . 0.0 110.25 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.665 HG22 ' SG ' ' A' ' 11' ' ' CYS . 17.2 t -63.86 123.51 16.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 120.696 0.284 . . . . 0.0 110.608 179.62 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 4.6 tmt_? -96.54 -33.93 11.64 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 108.729 -0.841 . . . . 0.0 108.729 179.047 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 173.72 176.6 42.29 Favored Glycine 0 N--CA 1.443 -0.841 0 CA-C-N 115.17 -0.923 . . . . 0.0 111.631 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 8.2 p -76.8 141.32 40.78 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 116.597 0.198 . . . . 0.0 110.888 179.71 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.446 ' HB3' ' CB ' ' A' ' 25' ' ' PHE . 5.9 t -96.89 -43.75 7.34 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.686 0.755 . . . . 0.0 109.326 179.346 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 176.32 -157.86 23.86 Favored Glycine 0 N--CA 1.442 -0.909 0 CA-C-N 114.8 -1.091 . . . . 0.0 111.221 179.722 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.475 ' O ' ' HB2' ' A' ' 24' ' ' ARG . 48.5 mm -62.36 103.22 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-O 120.603 0.24 . . . . 0.0 110.875 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.475 ' HB2' ' O ' ' A' ' 23' ' ' ILE . 10.1 mpt_? 74.14 22.91 2.21 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 115.39 -0.823 . . . . 0.0 112.506 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.461 ' CZ ' ' HG2' ' A' ' 8' ' ' LYS . 14.8 m-85 -130.76 133.33 45.91 Favored 'General case' 0 CA--C 1.51 -0.592 0 C-N-CA 120.463 -0.495 . . . . 0.0 110.246 179.052 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.66 HD12 ' HA ' ' A' ' 10' ' ' HIS . 85.5 mt -116.76 134.48 54.74 Favored 'General case' 0 C--N 1.314 -0.966 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.131 179.393 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 13.7 t80 -91.16 111.75 23.35 Favored 'General case' 0 C--N 1.312 -1.051 0 N-CA-C 107.443 -1.317 . . . . 0.0 107.443 178.697 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 4.7 m -121.16 145.01 48.27 Favored 'General case' 0 C--N 1.314 -0.971 0 N-CA-C 112.556 0.576 . . . . 0.0 112.556 -177.385 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.432 ' HA ' ' HD3' ' A' ' 30' ' ' PRO . 35.0 m -113.23 127.87 26.32 Favored Pre-proline 0 C--N 1.323 -0.549 0 CA-C-N 115.141 -0.936 . . . . 0.0 109.405 178.508 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.596 ' HA ' ' HA ' ' A' ' 15' ' ' GLU . 37.6 Cg_exo . . . . . 0 C--O 1.235 0.328 0 C-N-CA 122.604 2.202 . . . . 0.0 111.949 -179.708 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 46.2 m-85 . . . . . 0 N--CA 1.451 -0.385 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 64.9 m -80.03 129.02 34.17 Favored 'General case' 0 C--N 1.317 -0.837 0 N-CA-C 109.759 -0.459 . . . . 0.0 109.759 178.471 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.415 ' HD2' ' HA ' ' A' ' 11' ' ' CYS . 27.9 mtt-85 -133.53 139.59 46.7 Favored 'General case' 0 C--N 1.312 -1.044 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.365 179.799 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 12.1 ptmm? -82.63 127.26 33.21 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.412 -0.813 . . . . 0.0 112.234 -178.729 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 86.57 -51.03 4.3 Favored Glycine 0 N--CA 1.451 -0.344 0 CA-C-N 115.612 -0.722 . . . . 0.0 113.592 178.791 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -174.8 164.63 3.56 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.879 0.371 . . . . 0.0 111.141 -179.753 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.616 ' SG ' HG22 ' A' ' 17' ' ' VAL . 3.4 m -70.16 160.74 31.54 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.435 -0.802 . . . . 0.0 111.019 179.696 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.498 ' HB3' ' OE1' ' A' ' 15' ' ' GLU . 20.3 ttpp -84.24 152.76 24.0 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 107.872 -1.159 . . . . 0.0 107.872 177.63 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 26.0 mmm180 -54.09 101.87 0.05 Allowed 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 140.01 -34.21 2.03 Favored Glycine 0 N--CA 1.445 -0.739 0 C-N-CA 120.99 -0.624 . . . . 0.0 112.117 -178.419 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.584 ' HA ' ' HA ' ' A' ' 30' ' ' PRO . 3.0 mp0 -93.26 135.88 34.06 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-O 121.297 0.57 . . . . 0.0 111.953 -179.626 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 58.1 mtp85 -96.87 138.77 33.9 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.126 -0.943 . . . . 0.0 109.982 178.651 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.616 HG22 ' SG ' ' A' ' 11' ' ' CYS . 13.9 t -63.97 129.09 27.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 121.161 0.505 . . . . 0.0 111.037 -179.771 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 31.4 tpt180 -111.55 -31.55 6.97 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.445 -0.798 . . . . 0.0 109.505 179.19 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -179.78 -159.58 23.89 Favored Glycine 0 N--CA 1.447 -0.627 0 CA-C-N 115.586 -0.734 . . . . 0.0 112.199 179.666 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 11.6 p -112.76 143.15 44.48 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 120.6 0.238 . . . . 0.0 111.043 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 56.1 m -96.29 -37.4 10.53 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.455 0.645 . . . . 0.0 110.448 179.422 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 171.56 -157.37 27.72 Favored Glycine 0 N--CA 1.441 -0.994 0 CA-C-N 115.261 -0.881 . . . . 0.0 111.305 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.608 ' H ' HD12 ' A' ' 23' ' ' ILE . 4.3 mp -62.67 108.43 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 N-CA-C 110.163 -0.31 . . . . 0.0 110.163 179.736 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.473 ' HB2' ' O ' ' A' ' 23' ' ' ILE . 20.2 mmt85 72.67 17.7 4.44 Favored 'General case' 0 N--CA 1.464 0.274 0 O-C-N 124.041 0.838 . . . . 0.0 113.204 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 44.1 m-85 -129.17 133.09 47.44 Favored 'General case' 0 CA--C 1.512 -0.482 0 CA-C-N 118.32 0.509 . . . . 0.0 109.962 178.454 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.2 mp -117.36 143.14 46.27 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.326 -179.419 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -94.16 110.47 22.19 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 179.297 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.3 m -119.02 135.12 54.79 Favored 'General case' 0 C--N 1.315 -0.893 0 N-CA-C 112.874 0.694 . . . . 0.0 112.874 -177.216 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.456 ' HA ' ' HD3' ' A' ' 30' ' ' PRO . 1.5 m -105.58 131.11 22.03 Favored Pre-proline 0 C--N 1.321 -0.655 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.315 177.671 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.584 ' HA ' ' HA ' ' A' ' 15' ' ' GLU . 34.4 Cg_exo . . . . . 0 C--O 1.231 0.151 0 C-N-CA 122.99 2.46 . . . . 0.0 112.124 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 68.9 m-85 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.971 0.415 . . . . 0.0 111.468 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 90.8 m -79.83 131.47 35.89 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.225 -0.658 . . . . 0.0 109.225 177.802 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.538 ' HG3' ' HA ' ' A' ' 11' ' ' CYS . 35.0 mmt180 -124.82 142.11 51.66 Favored 'General case' 0 C--N 1.312 -1.038 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 25.6 pttm -86.46 126.14 34.21 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 121.286 0.565 . . . . 0.0 111.274 -179.353 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 78.29 -47.86 3.0 Favored Glycine 0 N--CA 1.451 -0.325 0 CA-C-N 115.499 -0.773 . . . . 0.0 113.856 179.415 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 30.1 p-80 -167.16 156.85 10.79 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.874 0.369 . . . . 0.0 111.127 -179.765 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.595 ' SG ' HG22 ' A' ' 17' ' ' VAL . 3.6 m -70.61 163.3 27.29 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.051 -0.977 . . . . 0.0 111.318 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 23.8 tptm -72.36 147.59 46.12 Favored 'General case' 0 N--CA 1.447 -0.607 0 N-CA-C 107.368 -1.345 . . . . 0.0 107.368 177.006 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 29.8 tpt180 -56.14 92.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.955 0.407 . . . . 0.0 110.402 -179.518 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 146.12 -27.56 1.71 Allowed Glycine 0 N--CA 1.443 -0.861 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.931 -178.639 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.59 ' HB2' ' HB3' ' A' ' 11' ' ' CYS . 59.7 mt-10 -84.69 135.19 34.26 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-O 121.626 0.727 . . . . 0.0 111.686 -179.484 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.51 126.81 37.76 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-N 114.747 -1.115 . . . . 0.0 109.029 179.149 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.595 HG22 ' SG ' ' A' ' 11' ' ' CYS . 17.8 t -59.94 123.48 12.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 121.048 0.452 . . . . 0.0 111.155 -179.639 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.448 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 43.7 tpt85 -101.46 -33.05 10.12 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.617 -0.72 . . . . 0.0 109.718 179.495 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 175.03 -155.02 19.77 Favored Glycine 0 N--CA 1.447 -0.614 0 CA-C-N 115.49 -0.777 . . . . 0.0 112.327 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.414 ' HA ' ' HA ' ' A' ' 26' ' ' LEU . 10.7 p -111.81 143.22 43.1 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 120.607 0.241 . . . . 0.0 111.08 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 51.4 m -98.34 -38.34 9.28 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.364 0.602 . . . . 0.0 110.369 179.337 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 172.57 -155.96 24.2 Favored Glycine 0 N--CA 1.44 -1.035 0 CA-C-N 115.306 -0.861 . . . . 0.0 111.445 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.469 ' O ' ' HB2' ' A' ' 24' ' ' ARG . 62.2 mt -61.38 108.01 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-O 120.66 0.267 . . . . 0.0 110.765 179.771 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.48 ' HA ' ' NE ' ' A' ' 24' ' ' ARG . 13.5 mmp_? 72.68 14.02 5.14 Favored 'General case' 0 N--CA 1.466 0.361 0 N-CA-C 113.321 0.86 . . . . 0.0 113.321 179.561 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 40.1 m-85 -127.48 134.04 49.85 Favored 'General case' 0 CA--C 1.513 -0.463 0 C-N-CA 120.076 -0.65 . . . . 0.0 110.342 178.889 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.414 ' HA ' ' HA ' ' A' ' 20' ' ' THR . 5.1 mp -117.5 143.68 45.82 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 115.198 -0.91 . . . . 0.0 109.684 -179.864 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -89.96 114.37 26.19 Favored 'General case' 0 C--N 1.316 -0.873 0 N-CA-C 108.01 -1.108 . . . . 0.0 108.01 179.208 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.8 m -120.56 139.48 52.88 Favored 'General case' 0 C--N 1.312 -1.05 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.936 -177.672 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.448 ' SG ' ' HB2' ' A' ' 18' ' ' ARG . 21.6 m -111.62 122.22 37.88 Favored Pre-proline 0 C--N 1.32 -0.687 0 CA-C-N 115.745 -0.661 . . . . 0.0 109.703 179.267 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.549 ' HA ' ' HA ' ' A' ' 15' ' ' GLU . 31.3 Cg_exo . . . . . 0 N--CA 1.465 -0.153 0 C-N-CA 122.434 2.09 . . . . 0.0 111.379 179.773 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 17.1 m-85 . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 69.9 m -84.02 126.5 33.11 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.009 0.433 . . . . 0.0 110.247 178.701 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.612 ' HD2' ' HA ' ' A' ' 11' ' ' CYS . 43.3 mtt-85 -136.11 143.2 44.43 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.55 179.115 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.51 ' HA ' ' O ' ' A' ' 24' ' ' ARG . 18.8 ptpt -82.87 131.48 35.19 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.817 -0.629 . . . . 0.0 112.378 -178.583 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 76.18 -50.22 2.7 Favored Glycine 0 C--O 1.227 -0.308 0 CA-C-N 115.35 -0.841 . . . . 0.0 114.271 178.642 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 26.1 p-80 -169.31 160.9 9.76 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.094 0.473 . . . . 0.0 111.034 -179.276 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.612 ' HA ' ' HD2' ' A' ' 7' ' ' ARG . 90.3 m -100.87 -176.86 3.29 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 114.977 -1.01 . . . . 0.0 110.441 179.441 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.406 ' HG2' ' CD ' ' A' ' 15' ' ' GLU . 7.7 ptpp? -78.29 163.1 26.02 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.755 -0.378 . . . . 0.0 110.288 -179.11 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.763 ' HD2' ' H ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -69.15 53.86 0.1 Allowed 'General case' 0 N--CA 1.471 0.619 0 CA-C-O 122.09 0.948 . . . . 0.0 110.952 179.48 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -166.24 -30.36 0.02 OUTLIER Glycine 0 N--CA 1.44 -1.035 0 CA-C-N 114.689 -1.141 . . . . 0.0 110.836 -179.706 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.566 ' HB2' ' HB3' ' A' ' 11' ' ' CYS . 29.7 mt-10 -87.86 125.49 34.51 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-O 121.342 0.591 . . . . 0.0 109.713 179.106 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.5 ptp180 -97.64 131.98 43.7 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-N 115.221 -0.9 . . . . 0.0 110.023 -178.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 39.4 t -64.23 122.61 15.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-O 121.017 0.437 . . . . 0.0 110.88 -179.333 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 62.7 ttt-85 -105.4 -28.7 10.7 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.663 179.586 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -172.52 -169.83 35.62 Favored Glycine 0 N--CA 1.445 -0.735 0 C-N-CA 120.614 -0.803 . . . . 0.0 112.2 179.726 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 16.4 p -103.5 142.3 34.51 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 120.532 0.206 . . . . 0.0 110.911 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.434 ' SG ' ' HB2' ' A' ' 27' ' ' TYR . 62.4 m -96.69 -37.92 10.13 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.523 0.678 . . . . 0.0 110.296 179.425 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 170.96 -158.07 29.38 Favored Glycine 0 N--CA 1.44 -1.034 0 CA-C-N 115.196 -0.911 . . . . 0.0 111.162 179.83 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.51 ' O ' ' HB2' ' A' ' 24' ' ' ARG . 60.3 mt -62.16 106.85 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-O 120.532 0.206 . . . . 0.0 110.628 179.758 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.51 ' O ' ' HA ' ' A' ' 8' ' ' LYS . 51.8 mmt-85 74.51 17.6 3.04 Favored 'General case' 0 N--CA 1.464 0.264 0 N-CA-C 113.16 0.8 . . . . 0.0 113.16 179.692 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 55.5 m-85 -127.6 132.16 49.84 Favored 'General case' 0 CA--C 1.514 -0.431 0 C-N-CA 120.035 -0.666 . . . . 0.0 110.71 178.838 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -113.26 141.86 46.5 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 115.139 -0.937 . . . . 0.0 110.136 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.434 ' HB2' ' SG ' ' A' ' 21' ' ' CYS . 2.6 t80 -98.94 105.35 17.48 Favored 'General case' 0 C--N 1.315 -0.902 0 N-CA-C 108.515 -0.92 . . . . 0.0 108.515 179.59 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.2 m -114.4 139.33 49.58 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 113.549 0.944 . . . . 0.0 113.549 -177.86 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.7 m -110.05 129.52 23.85 Favored Pre-proline 0 C--N 1.322 -0.59 0 CA-C-N 115.167 -0.924 . . . . 0.0 109.129 176.461 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.541 ' HA ' ' HA ' ' A' ' 15' ' ' GLU . 54.0 Cg_exo . . . . . 0 C--O 1.234 0.298 0 C-N-CA 123.221 2.614 . . . . 0.0 112.481 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 37.7 m-85 . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.868 0.366 . . . . 0.0 111.56 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 90.4 m -80.66 131.99 35.54 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 177.206 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.536 ' HD2' ' HA ' ' A' ' 11' ' ' CYS . 66.6 mtt-85 -136.12 143.79 44.74 Favored 'General case' 0 C--N 1.313 -0.993 0 CA-C-O 121.21 0.528 . . . . 0.0 111.063 -179.859 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.472 ' HB2' ' CE2' ' A' ' 25' ' ' PHE . 37.4 ttpt -87.88 124.86 34.1 Favored 'General case' 0 C--N 1.315 -0.908 0 CA-C-N 115.262 -0.881 . . . . 0.0 112.098 -178.562 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 82.24 -45.06 3.28 Favored Glycine 0 N--CA 1.451 -0.337 0 N-CA-C 115.232 0.853 . . . . 0.0 115.232 177.877 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 31.3 p-80 -165.15 158.13 16.3 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 117.692 0.746 . . . . 0.0 112.537 -178.629 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.566 ' SG ' HG22 ' A' ' 17' ' ' VAL . 15.1 m -87.85 170.92 10.77 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 114.645 -1.161 . . . . 0.0 110.808 179.186 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.45 ' HG2' ' N ' ' A' ' 13' ' ' ARG . 13.4 ttmt -71.66 155.41 40.54 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.598 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.45 ' N ' ' HG2' ' A' ' 12' ' ' LYS . 38.7 mmt180 -67.63 62.17 0.07 Allowed 'General case' 0 N--CA 1.469 0.475 0 CA-C-O 121.481 0.658 . . . . 0.0 111.077 179.648 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 175.87 -24.17 0.06 OUTLIER Glycine 0 N--CA 1.441 -1.029 0 CA-C-N 115.371 -0.831 . . . . 0.0 111.73 -179.178 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.607 ' HA ' ' HA ' ' A' ' 30' ' ' PRO . 41.5 mt-10 -93.8 131.53 39.08 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-O 121.273 0.559 . . . . 0.0 110.803 -179.839 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 4.1 ptm180 -94.99 140.44 29.95 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 115.182 -0.917 . . . . 0.0 110.16 179.645 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.566 HG22 ' SG ' ' A' ' 11' ' ' CYS . 23.2 t -66.53 119.6 12.13 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 CA-C-O 120.973 0.416 . . . . 0.0 111.066 -179.811 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 34.8 ttm180 -91.37 -37.2 13.38 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 108.32 -0.993 . . . . 0.0 108.32 177.767 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -175.69 -158.62 19.89 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.261 -0.971 . . . . 0.0 112.724 179.527 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 11.5 p -105.61 142.62 35.04 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 120.657 0.265 . . . . 0.0 111.292 -179.79 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 37.8 m -99.31 -37.63 9.18 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.343 0.592 . . . . 0.0 110.706 179.538 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 175.59 -159.51 27.37 Favored Glycine 0 N--CA 1.442 -0.955 0 CA-C-N 115.497 -0.774 . . . . 0.0 111.501 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.48 ' O ' ' HB2' ' A' ' 24' ' ' ARG . 60.2 mt -62.21 103.14 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-O 120.54 0.21 . . . . 0.0 110.837 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.48 ' HB2' ' O ' ' A' ' 23' ' ' ILE . 65.6 mtp180 76.19 18.34 1.94 Allowed 'General case' 0 N--CA 1.467 0.383 0 O-C-N 124.231 0.957 . . . . 0.0 112.935 179.59 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.472 ' CE2' ' HB2' ' A' ' 8' ' ' LYS . 57.7 m-85 -127.53 132.98 49.83 Favored 'General case' 0 CA--C 1.514 -0.438 0 CA-C-N 118.217 0.462 . . . . 0.0 109.868 178.373 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.3 mp -115.0 144.36 43.73 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.21 -179.304 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 7.0 t80 -92.67 108.79 20.25 Favored 'General case' 0 C--N 1.315 -0.891 0 N-CA-C 108.037 -1.097 . . . . 0.0 108.037 179.182 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 3.7 m -110.0 144.26 38.81 Favored 'General case' 0 C--N 1.319 -0.74 0 O-C-N 123.782 0.676 . . . . 0.0 112.184 -177.615 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 33.2 m -127.6 128.32 23.96 Favored Pre-proline 0 C--N 1.324 -0.542 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.395 178.723 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.607 ' HA ' ' HA ' ' A' ' 15' ' ' GLU . 44.9 Cg_exo . . . . . 0 C--O 1.232 0.225 0 C-N-CA 122.958 2.439 . . . . 0.0 112.417 -179.605 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 73.3 m-85 . . . . . 0 CA--C 1.522 -0.123 0 CA-C-O 121.032 0.444 . . . . 0.0 111.901 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 97.8 m -83.65 132.58 34.87 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.353 -0.84 . . . . 0.0 109.389 177.742 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 54.7 mtt-85 -137.86 141.48 40.73 Favored 'General case' 0 C--N 1.313 -0.998 0 CA-C-O 121.067 0.461 . . . . 0.0 110.343 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.548 ' HD3' ' O ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -83.39 132.17 35.0 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.576 -0.738 . . . . 0.0 112.633 -178.687 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 83.57 -52.43 4.72 Favored Glycine 0 N--CA 1.451 -0.356 0 CA-C-N 115.205 -0.907 . . . . 0.0 114.642 178.374 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -169.54 161.77 9.73 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.126 0.488 . . . . 0.0 112.12 -179.1 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.608 ' SG ' HG22 ' A' ' 17' ' ' VAL . 7.5 m -77.59 167.79 21.04 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 114.886 -1.052 . . . . 0.0 111.506 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.478 ' HG2' ' N ' ' A' ' 13' ' ' ARG . 8.7 ttmt -71.19 154.9 41.33 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 107.918 -1.141 . . . . 0.0 107.918 177.327 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.478 ' N ' ' HG2' ' A' ' 12' ' ' LYS . 23.7 mmm180 -65.2 69.64 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 121.019 0.438 . . . . 0.0 111.564 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.408 ' N ' ' O ' ' A' ' 12' ' ' LYS . . . 166.18 -23.94 0.14 Allowed Glycine 0 N--CA 1.443 -0.844 0 CA-C-N 115.747 -0.661 . . . . 0.0 111.868 -179.246 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.59 ' HA ' ' HA ' ' A' ' 30' ' ' PRO . 51.3 mt-10 -90.31 136.76 32.85 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-O 121.43 0.633 . . . . 0.0 110.999 -179.65 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -94.36 134.22 37.09 Favored 'General case' 0 C--N 1.313 -0.998 0 CA-C-N 114.951 -1.022 . . . . 0.0 110.219 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.608 HG22 ' SG ' ' A' ' 11' ' ' CYS . 15.9 t -62.28 120.8 9.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 120.92 0.391 . . . . 0.0 110.473 179.62 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.443 ' HD2' ' HD2' ' A' ' 27' ' ' TYR . 0.0 OUTLIER -95.52 -33.84 12.27 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 179.414 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 178.96 -160.36 25.92 Favored Glycine 0 N--CA 1.447 -0.615 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.463 179.802 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 14.3 p -106.38 142.85 35.36 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 120.656 0.265 . . . . 0.0 111.082 -179.82 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.473 ' SG ' ' HB2' ' A' ' 27' ' ' TYR . 56.9 m -100.9 -36.42 9.06 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.33 0.586 . . . . 0.0 110.415 179.393 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 173.28 -162.44 33.64 Favored Glycine 0 N--CA 1.439 -1.13 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.288 179.728 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.505 ' O ' ' HB2' ' A' ' 24' ' ' ARG . 60.3 mt -64.13 103.88 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 N-CA-C 110.589 -0.152 . . . . 0.0 110.589 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.505 ' HB2' ' O ' ' A' ' 23' ' ' ILE . 67.1 mtm180 81.41 15.44 0.55 Allowed 'General case' 0 N--CA 1.469 0.505 0 O-C-N 124.447 1.092 . . . . 0.0 112.642 179.668 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 61.6 m-85 -128.63 132.15 48.12 Favored 'General case' 0 CA--C 1.516 -0.361 0 C-N-CA 120.334 -0.546 . . . . 0.0 110.289 179.064 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 83.1 mt -115.69 143.6 45.13 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.386 -179.725 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.473 ' HB2' ' SG ' ' A' ' 21' ' ' CYS . 6.4 t80 -94.65 111.72 23.49 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 107.861 -1.163 . . . . 0.0 107.861 178.855 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 4.2 m -115.88 140.62 49.05 Favored 'General case' 0 C--N 1.315 -0.916 0 N-CA-C 112.813 0.672 . . . . 0.0 112.813 -177.457 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.44 ' HA ' ' HD3' ' A' ' 30' ' ' PRO . 60.8 m -113.71 125.15 29.92 Favored Pre-proline 0 C--N 1.323 -0.574 0 CA-C-N 115.305 -0.861 . . . . 0.0 108.903 178.439 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.59 ' HA ' ' HA ' ' A' ' 15' ' ' GLU . 33.6 Cg_exo . . . . . 0 CA--C 1.52 -0.183 0 C-N-CA 122.833 2.355 . . . . 0.0 112.977 -179.187 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 82.5 m-85 . . . . . 0 CA--C 1.52 -0.184 0 CA-C-O 120.866 0.365 . . . . 0.0 111.383 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 90.8 m -79.39 130.56 35.55 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 177.801 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.577 ' HG3' ' HA ' ' A' ' 11' ' ' CYS . 34.8 mmt180 -123.77 144.62 49.58 Favored 'General case' 0 C--N 1.312 -1.036 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.73 -179.77 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 7.1 ptpp? -91.34 122.43 33.94 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-O 121.152 0.501 . . . . 0.0 111.457 -179.51 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 75.83 -42.08 1.53 Allowed Glycine 0 C--O 1.227 -0.316 0 CA-C-N 115.58 -0.736 . . . . 0.0 114.186 179.169 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 27.9 p-80 -164.59 154.35 13.8 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.048 0.451 . . . . 0.0 111.52 -179.134 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.6 ' HB3' ' HB2' ' A' ' 15' ' ' GLU . 3.9 m -75.67 164.52 26.21 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 114.8 -1.091 . . . . 0.0 110.57 179.353 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.492 ' HG2' ' CD ' ' A' ' 15' ' ' GLU . 17.4 pttm -76.76 152.95 35.43 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 107.485 -1.302 . . . . 0.0 107.485 177.646 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 23.0 mmt85 -50.83 102.24 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.916 0.389 . . . . 0.0 111.415 -178.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 130.01 -30.51 3.51 Favored Glycine 0 N--CA 1.443 -0.841 0 C-N-CA 120.403 -0.903 . . . . 0.0 113.638 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.612 ' HA ' ' HA ' ' A' ' 30' ' ' PRO . 76.8 mt-10 -79.88 133.54 36.25 Favored 'General case' 0 CA--C 1.512 -0.484 0 CA-C-O 121.652 0.739 . . . . 0.0 112.085 -178.849 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 7.4 mpt_? -94.86 133.68 38.32 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 114.573 -1.194 . . . . 0.0 110.247 179.229 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.485 HG22 ' SG ' ' A' ' 11' ' ' CYS . 25.4 t -64.02 120.18 10.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 121.315 0.579 . . . . 0.0 111.03 -179.503 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.454 ' NE ' ' HA ' ' A' ' 18' ' ' ARG . 7.5 tpm_? -96.82 -35.44 10.94 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.556 -0.747 . . . . 0.0 109.324 179.084 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -179.98 -156.73 18.67 Favored Glycine 0 N--CA 1.447 -0.597 0 CA-C-N 115.394 -0.821 . . . . 0.0 112.315 179.746 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 11.2 p -109.5 143.05 39.67 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 120.57 0.224 . . . . 0.0 111.136 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 31.8 m -98.49 -38.42 9.19 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.489 0.661 . . . . 0.0 110.328 179.41 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 172.32 -157.94 28.0 Favored Glycine 0 N--CA 1.44 -1.058 0 CA-C-N 115.27 -0.877 . . . . 0.0 111.282 179.761 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.614 ' H ' HD12 ' A' ' 23' ' ' ILE . 4.3 mp -62.48 109.54 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 110.409 -0.219 . . . . 0.0 110.409 179.804 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.427 ' HB2' ' O ' ' A' ' 23' ' ' ILE . 69.3 mtp85 72.98 18.26 4.0 Favored 'General case' 0 CA--C 1.532 0.283 0 O-C-N 124.05 0.844 . . . . 0.0 112.991 179.585 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 71.8 m-85 -133.44 133.4 42.28 Favored 'General case' 0 CA--C 1.514 -0.442 0 CA-C-N 118.325 0.511 . . . . 0.0 110.345 178.681 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.2 mp -118.91 142.63 47.59 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.444 -0.798 . . . . 0.0 109.629 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -88.0 109.69 20.02 Favored 'General case' 0 C--N 1.316 -0.891 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 179.388 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 9.4 m -113.95 135.98 53.4 Favored 'General case' 0 C--N 1.313 -0.983 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.574 -178.413 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.437 ' SG ' ' HB2' ' A' ' 18' ' ' ARG . 46.5 m -106.46 120.62 47.94 Favored Pre-proline 0 C--N 1.315 -0.899 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 178.538 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.612 ' HA ' ' HA ' ' A' ' 15' ' ' GLU . 35.0 Cg_exo . . . . . 0 N--CA 1.461 -0.436 0 C-N-CA 122.482 2.122 . . . . 0.0 111.524 -179.659 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 32.9 m-85 . . . . . 0 C--O 1.233 0.214 0 CA-C-O 120.695 0.283 . . . . 0.0 111.514 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 67.5 m -84.51 133.93 34.45 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 177.298 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.528 ' HB2' ' SG ' ' A' ' 11' ' ' CYS . 2.4 mpt_? -134.63 160.12 39.1 Favored 'General case' 0 C--N 1.312 -1.039 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.977 178.899 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 57.4 pttt -105.1 123.16 47.33 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.219 0.533 . . . . 0.0 111.432 -179.594 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 75.84 -43.8 1.71 Allowed Glycine 0 CA--C 1.519 0.302 0 CA-C-N 115.747 -0.66 . . . . 0.0 114.157 179.22 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 28.8 p-80 -163.35 156.73 19.24 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.951 0.405 . . . . 0.0 111.121 -179.383 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.582 ' HB3' ' HB2' ' A' ' 15' ' ' GLU . 90.7 m -102.93 -178.56 3.7 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 115.088 -0.96 . . . . 0.0 111.047 179.756 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.463 ' HD3' ' OE2' ' A' ' 15' ' ' GLU . 28.9 mtpp -76.04 160.58 29.66 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.683 -179.422 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -68.48 62.28 0.1 Allowed 'General case' 0 N--CA 1.47 0.55 0 CA-C-O 121.834 0.826 . . . . 0.0 110.957 179.365 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 179.47 -29.29 0.06 OUTLIER Glycine 0 N--CA 1.438 -1.209 0 CA-C-N 115.011 -0.995 . . . . 0.0 110.827 -179.071 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.582 ' HB2' ' HB3' ' A' ' 11' ' ' CYS . 37.0 mt-10 -84.61 125.06 32.13 Favored 'General case' 0 N--CA 1.443 -0.803 0 CA-C-O 121.471 0.653 . . . . 0.0 110.0 179.472 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.476 ' NH1' ' HB3' ' A' ' 16' ' ' ARG . 16.4 ttp-105 -100.0 127.75 46.17 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 115.03 -0.986 . . . . 0.0 110.082 -179.281 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 36.3 t -57.87 125.34 13.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-O 121.366 0.603 . . . . 0.0 111.595 -179.352 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.567 ' HD2' ' SG ' ' A' ' 29' ' ' CYS . 34.4 ttt-85 -106.56 -32.96 7.83 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.12 -0.945 . . . . 0.0 109.407 179.224 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -176.21 -160.31 23.35 Favored Glycine 0 N--CA 1.447 -0.633 0 CA-C-N 115.325 -0.852 . . . . 0.0 112.265 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 7.9 p -107.38 144.71 33.88 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 120.741 0.305 . . . . 0.0 111.372 -179.697 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 56.9 m -98.85 -37.71 9.33 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.46 0.648 . . . . 0.0 110.199 179.304 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 172.27 -157.6 27.47 Favored Glycine 0 N--CA 1.441 -0.995 0 CA-C-N 115.211 -0.904 . . . . 0.0 111.178 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.467 ' O ' ' HB2' ' A' ' 24' ' ' ARG . 62.6 mt -62.42 109.81 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-O 120.557 0.217 . . . . 0.0 110.512 179.663 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.467 ' HB2' ' O ' ' A' ' 23' ' ' ILE . 85.7 mtt-85 73.38 14.51 4.43 Favored 'General case' 0 N--CA 1.466 0.338 0 O-C-N 123.976 0.798 . . . . 0.0 113.119 179.628 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.401 ' HA ' ' O ' ' A' ' 7' ' ' ARG . 42.8 m-85 -129.32 135.92 49.37 Favored 'General case' 0 CA--C 1.514 -0.424 0 CA-C-N 118.526 0.603 . . . . 0.0 110.649 179.123 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.501 ' N ' HD13 ' A' ' 26' ' ' LEU . 0.0 OUTLIER -121.72 146.11 47.36 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.439 -0.801 . . . . 0.0 110.059 179.379 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -96.37 111.98 23.88 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.715 -178.631 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 83.6 m -111.31 145.33 39.0 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-O 121.225 0.536 . . . . 0.0 112.165 -179.551 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.567 ' SG ' ' HD2' ' A' ' 18' ' ' ARG . 20.1 m -120.48 132.94 23.98 Favored Pre-proline 0 C--N 1.317 -0.835 0 N-CA-C 108.348 -0.982 . . . . 0.0 108.348 177.694 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_exo . . . . . 0 C--O 1.237 0.445 0 C-N-CA 123.231 2.621 . . . . 0.0 113.496 -178.901 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 31.4 m-85 . . . . . 0 N--CA 1.453 -0.296 0 CA-C-O 120.834 0.35 . . . . 0.0 110.448 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.471 ' SG ' ' HB3' ' A' ' 25' ' ' PHE . 43.5 t -90.03 140.83 29.26 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 108.186 -1.042 . . . . 0.0 108.186 178.056 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 50.9 mtt-85 -141.0 146.83 37.78 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.111 0.481 . . . . 0.0 111.401 -178.253 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.513 ' HA ' ' O ' ' A' ' 24' ' ' ARG . 5.8 ptmm? -91.84 113.56 25.86 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.324 -0.853 . . . . 0.0 111.452 -179.872 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 108.9 -55.45 0.51 Allowed Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.895 -0.669 . . . . 0.0 113.453 178.73 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -176.29 161.77 2.33 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.947 0.403 . . . . 0.0 111.475 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.53 ' HB3' ' HB2' ' A' ' 15' ' ' GLU . 4.2 m -75.53 164.52 26.26 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.158 -0.928 . . . . 0.0 111.064 179.791 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 28.0 mtpp -78.89 162.63 25.9 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.34 177.668 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 39.0 mmt180 -67.52 67.29 0.09 Allowed 'General case' 0 N--CA 1.467 0.418 0 CA-C-O 121.166 0.508 . . . . 0.0 110.99 179.514 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 175.25 -26.42 0.07 OUTLIER Glycine 0 N--CA 1.443 -0.865 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.362 -179.089 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.623 ' HA ' ' HA ' ' A' ' 30' ' ' PRO . 16.5 mt-10 -90.52 152.17 21.04 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-O 121.171 0.51 . . . . 0.0 111.705 -179.878 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 8.2 ptp180 -113.54 139.49 48.94 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 108.035 -1.098 . . . . 0.0 108.035 179.112 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.425 HG22 ' SG ' ' A' ' 11' ' ' CYS . 23.7 t -67.24 122.21 17.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-O 121.012 0.434 . . . . 0.0 110.979 -178.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.556 ' HD2' ' O ' ' A' ' 18' ' ' ARG . 4.7 tmm_? -98.98 -35.82 9.94 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 108.449 -0.945 . . . . 0.0 108.449 179.083 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 179.87 -178.48 48.58 Favored Glycine 0 N--CA 1.444 -0.8 0 CA-C-N 115.191 -0.913 . . . . 0.0 111.655 179.832 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.407 ' HA ' ' HA ' ' A' ' 26' ' ' LEU . 7.2 p -99.75 142.43 31.23 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-O 120.57 0.224 . . . . 0.0 111.312 179.839 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.462 ' HB2' ' CB ' ' A' ' 25' ' ' PHE . 90.7 m -87.73 -44.53 11.09 Favored 'General case' 0 CA--C 1.514 -0.438 0 CA-C-O 121.894 0.854 . . . . 0.0 109.239 178.732 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 171.52 -152.35 17.6 Favored Glycine 0 N--CA 1.439 -1.166 0 CA-C-N 114.311 -1.313 . . . . 0.0 111.064 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.671 ' H ' HD12 ' A' ' 23' ' ' ILE . 4.5 mp -60.11 106.76 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-O 120.731 0.3 . . . . 0.0 111.062 -179.827 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.513 ' O ' ' HA ' ' A' ' 8' ' ' LYS . 76.6 mtt85 72.94 18.54 3.98 Favored 'General case' 0 N--CA 1.467 0.419 0 N-CA-C 113.795 1.035 . . . . 0.0 113.795 179.032 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.512 ' CE2' ' HB3' ' A' ' 8' ' ' LYS . 33.1 m-85 -134.54 138.38 44.59 Favored 'General case' 0 CA--C 1.516 -0.365 0 CA-C-N 118.898 0.772 . . . . 0.0 109.866 178.554 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.427 ' N ' HD23 ' A' ' 26' ' ' LEU . 1.1 pt? -134.98 142.95 46.59 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.188 0.518 . . . . 0.0 110.369 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -91.46 114.67 27.26 Favored 'General case' 0 C--O 1.242 0.67 0 CA-C-N 115.433 -0.803 . . . . 0.0 109.291 -179.492 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 6.1 m -113.8 141.48 47.26 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.419 -0.809 . . . . 0.0 112.163 -178.185 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 31.2 m -121.27 129.3 25.32 Favored Pre-proline 0 C--N 1.322 -0.588 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 178.324 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.623 ' HA ' ' HA ' ' A' ' 15' ' ' GLU . 72.5 Cg_exo . . . . . 0 C--N 1.346 0.444 0 C-N-CA 122.728 2.285 . . . . 0.0 112.257 -179.751 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 78.7 m-85 . . . . . 0 CA--C 1.519 -0.213 0 CA-C-O 120.914 0.388 . . . . 0.0 111.099 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 88.6 m -79.67 129.76 34.76 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 177.644 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.553 ' HG3' ' HA ' ' A' ' 11' ' ' CYS . 35.1 mmt180 -121.99 141.79 50.98 Favored 'General case' 0 C--N 1.311 -1.07 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.807 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.417 ' HB3' ' CE2' ' A' ' 25' ' ' PHE . 54.5 pttt -88.24 123.27 32.69 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.337 -179.294 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 78.43 -47.33 2.95 Favored Glycine 0 N--CA 1.451 -0.338 0 CA-C-N 115.625 -0.716 . . . . 0.0 113.664 179.363 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -166.62 155.09 10.36 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.14 0.495 . . . . 0.0 111.635 -179.756 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.681 ' SG ' HG22 ' A' ' 17' ' ' VAL . 3.9 m -71.66 166.7 21.36 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 114.915 -1.039 . . . . 0.0 111.282 -179.862 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 32.7 mmmt -74.13 160.26 31.47 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 177.729 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 28.9 tpt180 -64.4 75.96 0.04 OUTLIER 'General case' 0 CA--C 1.532 0.27 0 CA-C-O 121.042 0.448 . . . . 0.0 111.188 -179.5 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 159.16 -25.09 0.33 Allowed Glycine 0 N--CA 1.444 -0.784 0 C-N-CA 121.19 -0.529 . . . . 0.0 112.077 -179.285 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.599 ' HB2' ' HB3' ' A' ' 11' ' ' CYS . 52.1 mt-10 -86.01 138.22 32.13 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-O 121.562 0.696 . . . . 0.0 111.799 -179.131 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.428 ' HD3' ' HA ' ' A' ' 16' ' ' ARG . 26.7 mmt180 -102.07 131.45 48.53 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 115.023 -0.99 . . . . 0.0 110.393 178.599 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.681 HG22 ' SG ' ' A' ' 11' ' ' CYS . 10.8 t -64.79 127.26 25.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.591 -179.793 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 60.9 ttp85 -118.59 -22.47 7.49 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.153 179.251 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -167.78 -169.1 30.86 Favored Glycine 0 N--CA 1.446 -0.651 0 C-N-CA 119.983 -1.103 . . . . 0.0 112.82 179.549 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 16.4 p -112.7 143.87 43.18 Favored 'General case' 0 C--N 1.318 -0.769 0 C-N-CA 122.419 0.288 . . . . 0.0 110.31 179.724 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 55.8 m -102.31 -37.29 8.14 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.296 0.57 . . . . 0.0 110.897 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 170.09 -158.39 30.38 Favored Glycine 0 N--CA 1.442 -0.966 0 C-N-CA 120.753 -0.737 . . . . 0.0 111.424 179.731 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.474 ' O ' ' HB2' ' A' ' 24' ' ' ARG . 60.0 mt -62.46 107.17 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 N-CA-C 110.563 -0.162 . . . . 0.0 110.563 179.654 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.474 ' HB2' ' O ' ' A' ' 23' ' ' ILE . 79.7 mtp180 74.8 17.63 2.82 Favored 'General case' 0 N--CA 1.466 0.345 0 O-C-N 124.151 0.907 . . . . 0.0 113.003 179.662 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.417 ' CE2' ' HB3' ' A' ' 8' ' ' LYS . 58.5 m-85 -129.94 130.94 45.74 Favored 'General case' 0 CA--C 1.512 -0.49 0 C-N-CA 120.198 -0.601 . . . . 0.0 110.293 178.592 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 78.2 mt -115.18 141.35 48.13 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-N 115.085 -0.961 . . . . 0.0 110.35 -179.646 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -88.5 105.82 17.88 Favored 'General case' 0 C--N 1.316 -0.874 0 N-CA-C 108.137 -1.06 . . . . 0.0 108.137 178.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.4 m -111.99 139.9 47.11 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 115.492 -0.776 . . . . 0.0 111.864 -177.701 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.415 ' HA ' ' HD3' ' A' ' 30' ' ' PRO . 13.6 m -112.47 123.08 34.84 Favored Pre-proline 0 C--N 1.318 -0.797 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 178.907 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.562 ' HA ' ' HA ' ' A' ' 15' ' ' GLU . 38.7 Cg_exo . . . . . 0 N--CA 1.464 -0.234 0 C-N-CA 122.626 2.217 . . . . 0.0 111.574 -179.829 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 26.6 m-85 . . . . . 0 N--CA 1.45 -0.448 0 N-CA-C 110.096 -0.335 . . . . 0.0 110.096 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 95.7 m -81.67 126.96 32.4 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.026 178.838 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 62.2 mtt-85 -135.28 139.89 44.74 Favored 'General case' 0 C--N 1.312 -1.056 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.253 179.447 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.738 ' HD3' ' H ' ' A' ' 8' ' ' LYS . 0.3 OUTLIER -81.33 134.64 35.61 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 115.501 -0.772 . . . . 0.0 111.694 -178.867 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 85.81 -53.7 4.71 Favored Glycine 0 N--CA 1.449 -0.498 0 CA-C-N 115.396 -0.82 . . . . 0.0 114.096 178.822 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -174.3 164.77 3.97 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.065 0.459 . . . . 0.0 111.694 -179.534 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.634 ' SG ' HG22 ' A' ' 17' ' ' VAL . 3.3 m -71.21 161.68 30.69 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.084 -0.962 . . . . 0.0 111.135 179.67 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 21.8 tttm -77.98 147.61 34.8 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 107.596 -1.261 . . . . 0.0 107.596 176.803 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 27.7 mmm180 -50.6 110.81 0.45 Allowed 'General case' 0 C--O 1.238 0.45 0 N-CA-C 110.047 -0.353 . . . . 0.0 110.047 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 124.4 -21.75 6.75 Favored Glycine 0 N--CA 1.445 -0.757 0 C-N-CA 120.878 -0.677 . . . . 0.0 112.81 -178.86 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.622 ' HA ' ' HA ' ' A' ' 30' ' ' PRO . 56.5 mt-10 -94.98 137.27 34.26 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-O 121.707 0.765 . . . . 0.0 111.871 -178.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 15.2 tpt180 -97.05 132.58 42.71 Favored 'General case' 0 C--N 1.314 -0.967 0 CA-C-N 114.547 -1.206 . . . . 0.0 109.391 178.831 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.634 HG22 ' SG ' ' A' ' 11' ' ' CYS . 13.5 t -62.92 124.56 17.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-O 121.077 0.465 . . . . 0.0 110.944 -179.578 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 29.3 tpt180 -98.65 -33.9 10.77 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.355 -0.839 . . . . 0.0 108.941 178.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 176.5 -160.21 27.62 Favored Glycine 0 N--CA 1.446 -0.683 0 CA-C-N 115.305 -0.861 . . . . 0.0 112.122 179.64 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 13.1 p -106.74 142.46 36.34 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 120.602 0.239 . . . . 0.0 110.931 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 55.0 m -96.8 -37.31 10.32 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.429 0.633 . . . . 0.0 110.37 179.514 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 172.86 -160.66 31.67 Favored Glycine 0 N--CA 1.439 -1.139 0 CA-C-N 115.195 -0.911 . . . . 0.0 111.143 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.5 ' O ' ' HB2' ' A' ' 24' ' ' ARG . 44.7 mm -63.61 106.92 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 N-CA-C 110.385 -0.228 . . . . 0.0 110.385 179.702 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.5 ' HB2' ' O ' ' A' ' 23' ' ' ILE . 90.3 mtm-85 77.39 15.98 1.66 Allowed 'General case' 0 N--CA 1.468 0.45 0 O-C-N 124.249 0.968 . . . . 0.0 112.948 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 55.0 m-85 -128.21 131.71 48.83 Favored 'General case' 0 CA--C 1.512 -0.507 0 CA-C-N 118.637 0.653 . . . . 0.0 110.466 178.868 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.5 mp -112.8 142.78 45.05 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 115.13 -0.941 . . . . 0.0 110.383 -179.773 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -96.55 109.8 22.32 Favored 'General case' 0 C--N 1.316 -0.86 0 N-CA-C 107.884 -1.154 . . . . 0.0 107.884 179.275 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.8 m -123.23 141.61 51.8 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 113.663 0.986 . . . . 0.0 113.663 -177.153 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.4 m -115.36 129.13 25.36 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 115.179 -0.919 . . . . 0.0 110.159 177.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.622 ' HA ' ' HA ' ' A' ' 15' ' ' GLU . 32.9 Cg_exo . . . . . 0 C--O 1.233 0.241 0 C-N-CA 122.558 2.172 . . . . 0.0 111.699 179.5 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 54.0 m-85 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 121.425 0.631 . . . . 0.0 111.855 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.483 ' HA ' ' O ' ' A' ' 26' ' ' LEU . 72.0 m -90.59 134.14 34.59 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.225 -0.898 . . . . 0.0 109.547 177.763 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.656 ' HB2' ' O ' ' A' ' 10' ' ' HIS . 70.9 mtt-85 -144.79 144.74 31.32 Favored 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 108.809 -0.811 . . . . 0.0 108.809 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 53.2 tttm -66.74 102.21 0.91 Allowed 'General case' 0 C--N 1.316 -0.856 0 N-CA-C 113.428 0.899 . . . . 0.0 113.428 -177.486 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 50.77 40.97 42.6 Favored Glycine 0 C--O 1.228 -0.245 0 CA-C-N 114.112 -1.403 . . . . 0.0 115.87 177.109 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' HIS . . . . . 0.656 ' O ' ' HB2' ' A' ' 7' ' ' ARG . 0.1 OUTLIER 179.4 163.02 0.9 Allowed 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 117.135 0.468 . . . . 0.0 110.594 178.311 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.582 ' HB3' ' HB2' ' A' ' 15' ' ' GLU . 5.0 m -124.32 161.04 26.71 Favored 'General case' 0 C--N 1.314 -0.975 0 CA-C-N 115.855 -0.612 . . . . 0.0 110.15 179.851 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.617 ' HB3' ' CD ' ' A' ' 15' ' ' GLU . 18.3 tttt -64.98 150.23 48.39 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 107.517 -1.29 . . . . 0.0 107.517 177.088 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.408 ' N ' ' HG2' ' A' ' 12' ' ' LYS . 37.2 mmt180 -58.21 96.97 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 179.652 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 131.42 -19.91 4.75 Favored Glycine 0 N--CA 1.445 -0.735 0 C-N-CA 120.92 -0.657 . . . . 0.0 112.179 -178.476 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.665 ' HA ' ' HA ' ' A' ' 30' ' ' PRO . 98.2 mt-10 -81.11 131.67 35.31 Favored 'General case' 0 CA--C 1.515 -0.394 0 CA-C-O 121.413 0.625 . . . . 0.0 111.808 -179.473 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 38.9 ttm180 -94.92 133.09 39.03 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.126 -0.943 . . . . 0.0 110.001 178.306 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 46.5 t -57.77 125.11 13.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 121.27 0.557 . . . . 0.0 111.272 -179.776 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.452 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 13.5 tpt180 -99.56 -35.96 9.69 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.184 -0.916 . . . . 0.0 109.279 179.382 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 163.17 -157.16 29.2 Favored Glycine 0 N--CA 1.446 -0.689 0 CA-C-N 114.881 -1.054 . . . . 0.0 111.465 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 10.9 p -94.19 142.53 27.29 Favored 'General case' 0 C--N 1.317 -0.84 0 O-C-N 122.968 -0.136 . . . . 0.0 110.825 179.401 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 13.7 t -90.5 -46.57 8.24 Favored 'General case' 0 CA--C 1.513 -0.453 0 CA-C-O 121.984 0.897 . . . . 0.0 109.056 179.172 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 173.98 -153.76 17.85 Favored Glycine 0 N--CA 1.436 -1.347 0 CA-C-N 114.143 -1.39 . . . . 0.0 110.608 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 49.6 mm -58.97 108.23 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-O 120.862 0.363 . . . . 0.0 111.284 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 22.6 mmt85 69.17 23.37 6.42 Favored 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 113.718 1.007 . . . . 0.0 113.718 178.866 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 71.1 m-85 -133.93 136.08 43.99 Favored 'General case' 0 CA--C 1.507 -0.676 0 CA-C-O 121.711 0.767 . . . . 0.0 111.436 178.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.483 ' O ' ' HA ' ' A' ' 6' ' ' CYS . 41.0 tp -104.61 143.09 33.54 Favored 'General case' 0 C--N 1.311 -1.079 0 CA-C-N 114.081 -1.418 . . . . 0.0 108.572 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 10.8 t80 -106.79 112.54 25.57 Favored 'General case' 0 C--N 1.301 -1.507 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 -179.14 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.7 m -120.18 137.91 53.92 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-O 121.122 0.487 . . . . 0.0 111.671 -178.585 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.452 ' SG ' ' HB2' ' A' ' 18' ' ' ARG . 82.6 m -102.54 118.9 57.59 Favored Pre-proline 0 C--N 1.32 -0.678 0 N-CA-C 108.752 -0.833 . . . . 0.0 108.752 178.186 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.665 ' HA ' ' HA ' ' A' ' 15' ' ' GLU . 34.3 Cg_exo . . . . . 0 CA--C 1.512 -0.605 0 C-N-CA 122.725 2.284 . . . . 0.0 112.972 -178.668 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.678 0 N-CA-C 111.835 -0.506 . . . . 0.0 111.835 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 93.3 mt -76.74 76.97 3.37 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.061 0.458 . . . . 0.0 110.811 179.659 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 48.6 tp -164.79 126.95 2.21 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.637 -179.745 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.62 ' HB2' ' CZ ' ' A' ' 27' ' ' TYR . 26.2 m -124.85 160.0 29.79 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.098 -179.624 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 15.7 m-85 -137.02 151.5 49.03 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.301 0.572 . . . . 0.0 112.011 -179.054 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 98.2 m -80.99 135.95 35.94 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.14 -0.936 . . . . 0.0 109.365 177.432 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 74.3 mmt-85 -124.63 146.86 48.85 Favored 'General case' 0 C--N 1.311 -1.107 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.551 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.676 ' HG2' ' CE2' ' A' ' 25' ' ' PHE . 43.9 mtpt -91.27 119.84 31.67 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.779 -179.123 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 75.73 -44.74 1.79 Allowed Glycine 0 N--CA 1.452 -0.283 0 CA-C-N 116.043 -0.526 . . . . 0.0 114.234 179.168 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -167.54 157.04 10.26 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.153 0.501 . . . . 0.0 112.01 -179.148 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.588 ' SG ' HG22 ' A' ' 17' ' ' VAL . 3.6 m -79.71 165.91 22.34 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.015 -0.993 . . . . 0.0 110.786 179.743 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 50.8 mtmt -80.46 165.36 22.25 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 178.113 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -66.72 70.4 0.08 Allowed 'General case' 0 N--CA 1.466 0.375 0 CA-C-O 121.002 0.43 . . . . 0.0 111.402 179.667 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 168.83 -26.24 0.12 Allowed Glycine 0 N--CA 1.443 -0.895 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.575 -179.318 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.575 ' HA ' ' HA ' ' A' ' 30' ' ' PRO . 26.1 mt-10 -96.46 124.24 40.39 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-O 121.025 0.441 . . . . 0.0 110.427 -179.739 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.467 ' HD3' ' HA ' ' A' ' 16' ' ' ARG . 19.1 mmt85 -93.88 137.13 33.44 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.86 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.588 HG22 ' SG ' ' A' ' 11' ' ' CYS . 16.7 t -61.7 125.91 18.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.983 -179.682 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.89 -30.72 8.34 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.533 -0.758 . . . . 0.0 109.335 179.144 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -174.25 -161.1 23.62 Favored Glycine 0 N--CA 1.446 -0.636 0 C-N-CA 120.585 -0.817 . . . . 0.0 112.405 179.787 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 16.6 p -111.31 143.02 42.77 Favored 'General case' 0 C--N 1.32 -0.693 0 C-N-CA 122.201 0.2 . . . . 0.0 111.033 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 39.7 m -99.28 -35.82 9.83 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.505 0.669 . . . . 0.0 110.255 179.288 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 171.31 -159.86 31.81 Favored Glycine 0 N--CA 1.439 -1.101 0 CA-C-N 115.304 -0.862 . . . . 0.0 111.066 179.785 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.558 ' H ' HD12 ' A' ' 23' ' ' ILE . 4.3 mp -64.36 109.1 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 N-CA-C 109.941 -0.392 . . . . 0.0 109.941 179.496 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.478 ' HB2' ' O ' ' A' ' 23' ' ' ILE . 61.6 mtp85 75.22 16.52 2.74 Favored 'General case' 0 N--CA 1.466 0.372 0 O-C-N 124.019 0.824 . . . . 0.0 112.697 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.676 ' CE2' ' HG2' ' A' ' 8' ' ' LYS . 14.0 m-85 -128.2 132.4 48.83 Favored 'General case' 0 CA--C 1.513 -0.469 0 CA-C-O 121.121 0.486 . . . . 0.0 110.004 178.861 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 72.8 mt -117.96 140.47 49.68 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.685 -179.307 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.62 ' CZ ' ' HB2' ' A' ' 4' ' ' CYS . 3.9 t80 -89.24 107.87 19.3 Favored 'General case' 0 C--N 1.317 -0.844 0 N-CA-C 107.84 -1.17 . . . . 0.0 107.84 178.758 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 3.9 m -110.98 140.37 45.56 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.934 -177.715 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 35.0 m -114.83 121.26 35.81 Favored Pre-proline 0 C--N 1.319 -0.76 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.282 178.51 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.575 ' HA ' ' HA ' ' A' ' 15' ' ' GLU . 51.7 Cg_exo -55.68 149.58 48.73 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.862 2.374 . . . . 0.0 111.473 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.699 ' HA ' ' NE ' ' A' ' 31' ' ' ARG . 4.0 mmp_? -86.13 42.4 0.98 Allowed 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.177 0.513 . . . . 0.0 111.605 -179.253 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.406 ' HD3' ' HA ' ' A' ' 32' ' ' ARG . 14.3 tpp85 . . . . . 0 C--O 1.248 1.026 0 N-CA-C 108.371 -0.974 . . . . 0.0 108.371 179.349 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.667 0 N-CA-C 111.608 -0.597 . . . . 0.0 111.608 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 95.7 mt -75.87 65.56 1.98 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.235 0.541 . . . . 0.0 111.225 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 60.7 tp -162.49 128.9 3.54 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 108.747 -0.835 . . . . 0.0 108.747 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.649 ' HB2' ' CZ ' ' A' ' 27' ' ' TYR . 5.7 m -89.01 154.32 20.3 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-O 120.966 0.412 . . . . 0.0 110.534 -179.08 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 51.7 m-85 -133.91 142.64 47.82 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.498 -179.149 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 91.8 m -81.07 133.02 35.4 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.394 177.761 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 58.5 mtt-85 -137.82 139.59 40.05 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-O 121.06 0.457 . . . . 0.0 110.085 179.615 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.461 ' HA ' ' O ' ' A' ' 24' ' ' ARG . 0.0 OUTLIER -82.46 133.55 35.21 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 115.525 -0.761 . . . . 0.0 112.021 -178.798 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 87.12 -55.6 4.58 Favored Glycine 0 N--CA 1.451 -0.312 0 CA-C-N 115.242 -0.89 . . . . 0.0 113.355 179.423 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -175.05 165.82 3.47 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.88 0.371 . . . . 0.0 111.136 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.651 ' SG ' HG22 ' A' ' 17' ' ' VAL . 3.7 m -72.04 160.66 32.12 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.291 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.499 ' HB3' ' OE1' ' A' ' 15' ' ' GLU . 13.0 ttpp -87.24 151.14 23.41 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 107.358 -1.349 . . . . 0.0 107.358 177.01 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 53.2 mmm-85 -48.84 116.46 1.65 Allowed 'General case' 0 C--O 1.235 0.295 0 CA-C-O 120.764 0.316 . . . . 0.0 110.378 -179.749 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 123.36 -30.99 4.8 Favored Glycine 0 N--CA 1.445 -0.759 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.644 -178.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.574 ' HA ' ' HA ' ' A' ' 30' ' ' PRO . 3.4 mt-10 -97.73 131.29 44.4 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-O 121.257 0.551 . . . . 0.0 111.793 -179.211 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 47.4 mmm-85 -94.52 138.27 32.63 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.141 179.317 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.651 HG22 ' SG ' ' A' ' 11' ' ' CYS . 11.0 t -64.98 123.8 18.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-O 120.908 0.385 . . . . 0.0 111.14 -179.737 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.629 ' HD2' ' SG ' ' A' ' 29' ' ' CYS . 51.4 ttt-85 -100.72 -34.05 10.01 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.071 -0.715 . . . . 0.0 109.071 178.65 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 176.8 -158.05 23.7 Favored Glycine 0 N--CA 1.446 -0.639 0 CA-C-N 115.371 -0.831 . . . . 0.0 112.45 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 7.9 p -107.17 143.34 35.5 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 120.583 0.23 . . . . 0.0 111.314 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.413 ' SG ' ' HB2' ' A' ' 27' ' ' TYR . 49.9 m -99.38 -38.15 8.95 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.325 0.583 . . . . 0.0 110.513 179.436 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 175.04 -157.02 23.66 Favored Glycine 0 N--CA 1.442 -0.952 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.603 179.791 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.487 ' O ' ' HB2' ' A' ' 24' ' ' ARG . 46.7 mm -61.54 103.6 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 120.532 0.206 . . . . 0.0 110.963 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.487 ' HB2' ' O ' ' A' ' 23' ' ' ILE . 0.9 OUTLIER 74.66 15.53 3.26 Favored 'General case' 0 N--CA 1.469 0.478 0 O-C-N 124.108 0.88 . . . . 0.0 112.961 179.775 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 34.0 m-85 -124.11 133.59 53.57 Favored 'General case' 0 CA--C 1.512 -0.514 0 CA-C-N 118.479 0.581 . . . . 0.0 110.04 178.782 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.6 mp -115.28 144.13 44.2 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.028 -179.741 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.649 ' CZ ' ' HB2' ' A' ' 4' ' ' CYS . 3.9 t80 -94.43 112.56 24.34 Favored 'General case' 0 C--N 1.316 -0.867 0 N-CA-C 108.158 -1.053 . . . . 0.0 108.158 179.204 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 10.9 m -117.01 139.56 50.53 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-N 116.122 -0.49 . . . . 0.0 112.264 -177.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.629 ' SG ' ' HD2' ' A' ' 18' ' ' ARG . 38.9 m -112.25 125.76 29.57 Favored Pre-proline 0 C--N 1.32 -0.698 0 CA-C-N 115.505 -0.771 . . . . 0.0 109.672 178.912 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.574 ' HA ' ' HA ' ' A' ' 15' ' ' GLU . 31.2 Cg_exo -61.17 145.33 98.84 Favored 'Trans proline' 0 CA--C 1.52 -0.21 0 C-N-CA 122.879 2.386 . . . . 0.0 112.059 -179.708 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.544 ' O ' ' HD3' ' A' ' 31' ' ' ARG . 0.9 OUTLIER -60.74 -33.46 72.95 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.706 -179.861 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.424 ' HD2' ' C ' ' A' ' 32' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.112 0 CA-C-O 117.882 -1.056 . . . . 0.0 108.854 179.403 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.506 0 N-CA-C 111.413 -0.675 . . . . 0.0 111.413 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.844 HD23 ' H ' ' A' ' 2' ' ' LEU . 1.5 pt? -78.61 54.07 1.42 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.067 0.461 . . . . 0.0 111.091 179.432 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.465 ' O ' ' HD2' ' A' ' 30' ' ' PRO . 2.5 pt? -167.65 137.5 2.74 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 179.768 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.53 ' HB2' ' CZ ' ' A' ' 27' ' ' TYR . 21.5 m -140.77 157.02 46.01 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.57 -179.826 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 89.6 m-85 -142.03 145.44 34.4 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.924 0.392 . . . . 0.0 111.536 -178.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 69.1 m -84.12 132.7 34.67 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.165 177.592 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.46 ' HE ' ' CD ' ' A' ' 15' ' ' GLU . 69.8 mtt-85 -136.27 143.45 44.25 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-O 121.399 0.618 . . . . 0.0 110.769 179.725 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 63.1 tttm -83.24 126.5 32.72 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.043 -0.98 . . . . 0.0 111.849 -178.66 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 88.29 -54.36 4.2 Favored Glycine 0 N--CA 1.448 -0.526 0 CA-C-N 115.558 -0.746 . . . . 0.0 114.711 178.228 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -172.02 158.2 4.61 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.576 0.584 . . . . 0.0 112.576 -178.716 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.554 ' SG ' HG22 ' A' ' 17' ' ' VAL . 3.3 m -72.92 162.39 29.55 Favored 'General case' 0 C--O 1.24 0.571 0 CA-C-N 115.054 -0.976 . . . . 0.0 111.453 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 61.0 tttp -72.36 156.45 39.07 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 108.092 -1.077 . . . . 0.0 108.092 177.283 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.531 ' HA ' ' CZ ' ' A' ' 13' ' ' ARG . 8.9 mmp_? -67.93 78.53 0.22 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.28 0.562 . . . . 0.0 110.487 -179.742 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 163.9 -22.86 0.17 Allowed Glycine 0 N--CA 1.443 -0.891 0 CA-C-N 115.067 -0.97 . . . . 0.0 111.204 -178.65 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.612 ' HA ' ' HA ' ' A' ' 30' ' ' PRO . 46.5 mt-10 -92.56 139.92 30.09 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-O 121.548 0.689 . . . . 0.0 111.571 -179.456 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -98.94 131.8 44.74 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-N 114.8 -1.091 . . . . 0.0 109.061 178.892 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.554 HG22 ' SG ' ' A' ' 11' ' ' CYS . 21.2 t -62.16 123.59 15.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 121.147 0.499 . . . . 0.0 110.851 -179.707 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.545 ' HD2' ' SG ' ' A' ' 29' ' ' CYS . 41.6 ttt85 -97.03 -36.71 10.42 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.409 -0.814 . . . . 0.0 108.864 179.096 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 177.64 -159.14 24.87 Favored Glycine 0 N--CA 1.447 -0.617 0 CA-C-N 115.192 -0.913 . . . . 0.0 112.531 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 17.0 p -105.52 141.96 36.09 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 120.658 0.266 . . . . 0.0 111.355 -179.715 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.468 ' SG ' ' HB2' ' A' ' 27' ' ' TYR . 61.9 m -100.56 -37.61 8.72 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.183 0.516 . . . . 0.0 110.812 179.281 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 174.89 -157.87 25.3 Favored Glycine 0 N--CA 1.444 -0.786 0 C-N-CA 120.752 -0.737 . . . . 0.0 111.825 179.757 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.507 ' O ' ' HB2' ' A' ' 24' ' ' ARG . 57.6 mt -62.12 99.83 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 120.661 0.267 . . . . 0.0 110.849 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.76 ' HA ' ' HE ' ' A' ' 24' ' ' ARG . 1.6 mmp_? 75.58 20.23 1.93 Allowed 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 115.265 -0.879 . . . . 0.0 112.903 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 43.8 m-85 -124.19 132.84 53.64 Favored 'General case' 0 CA--C 1.512 -0.502 0 N-CA-C 109.438 -0.579 . . . . 0.0 109.438 177.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 80.6 mt -117.39 142.69 46.81 Favored 'General case' 0 C--N 1.313 -1.001 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.459 -179.186 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.53 ' CZ ' ' HB2' ' A' ' 4' ' ' CYS . 3.4 t80 -94.26 110.62 22.35 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 107.583 -1.266 . . . . 0.0 107.583 178.865 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 4.4 m -117.69 143.43 46.2 Favored 'General case' 0 C--N 1.313 -0.984 0 N-CA-C 112.26 0.467 . . . . 0.0 112.26 -177.43 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.545 ' SG ' ' HD2' ' A' ' 18' ' ' ARG . 17.1 m -116.88 121.95 32.09 Favored Pre-proline 0 C--N 1.321 -0.653 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.366 178.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.612 ' HA ' ' HA ' ' A' ' 15' ' ' GLU . 50.7 Cg_exo -56.39 147.73 66.19 Favored 'Trans proline' 0 C--O 1.233 0.243 0 C-N-CA 122.733 2.289 . . . . 0.0 112.235 -179.794 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -60.26 -41.35 93.03 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.791 -179.658 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 30.1 mmm-85 . . . . . 0 C--O 1.245 0.855 0 CA-C-O 118.652 -0.69 . . . . 0.0 110.31 178.875 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.769 0 N-CA-C 111.176 -0.769 . . . . 0.0 111.176 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.439 HD13 ' HA ' ' A' ' 2' ' ' LEU . 2.6 mm? -71.51 118.84 14.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 117.101 0.45 . . . . 0.0 110.475 179.176 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.575 ' O ' ' HD2' ' A' ' 30' ' ' PRO . 34.4 tp 178.57 137.55 0.09 Allowed 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 114.878 -1.055 . . . . 0.0 108.428 -179.414 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.453 ' HB2' ' CZ ' ' A' ' 27' ' ' TYR . 37.5 m -145.87 155.8 43.13 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 120.783 0.325 . . . . 0.0 110.708 -179.626 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -146.94 146.15 30.02 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.202 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 89.2 m -86.42 131.16 34.26 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.504 -0.771 . . . . 0.0 109.239 177.807 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.442 ' HE ' ' CD ' ' A' ' 15' ' ' GLU . 71.2 mtt-85 -134.27 148.66 50.84 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-O 121.116 0.484 . . . . 0.0 111.143 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.466 ' HA ' ' O ' ' A' ' 24' ' ' ARG . 54.1 mtmt -79.68 126.14 30.55 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.347 -0.842 . . . . 0.0 112.225 -178.757 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 76.56 -48.32 2.56 Favored Glycine 0 N--CA 1.451 -0.361 0 N-CA-C 115.396 0.918 . . . . 0.0 115.396 177.608 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 26.4 p-80 -167.45 162.5 14.58 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 117.709 0.755 . . . . 0.0 112.672 -178.445 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.586 ' HB3' ' HB2' ' A' ' 15' ' ' GLU . 3.5 m -76.3 165.53 24.74 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 114.315 -1.312 . . . . 0.0 110.669 179.061 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.524 ' HG2' ' OE1' ' A' ' 15' ' ' GLU . 9.9 ptmm? -89.56 156.73 18.42 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 107.8 -1.185 . . . . 0.0 107.8 176.806 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 39.7 mmt180 -52.01 114.16 1.23 Allowed 'General case' 0 C--O 1.236 0.388 0 CA-C-O 120.894 0.378 . . . . 0.0 110.197 -179.707 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 127.36 -31.72 3.74 Favored Glycine 0 N--CA 1.446 -0.664 0 C-N-CA 120.85 -0.69 . . . . 0.0 112.657 -178.88 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.586 ' HB2' ' HB3' ' A' ' 11' ' ' CYS . 63.4 mt-10 -90.22 142.81 27.35 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-O 121.477 0.656 . . . . 0.0 111.715 -179.269 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.47 ' HD2' ' O ' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -105.83 137.59 43.46 Favored 'General case' 0 C--N 1.313 -1.006 0 CA-C-N 114.793 -1.094 . . . . 0.0 108.468 178.397 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.42 HG22 ' SG ' ' A' ' 11' ' ' CYS . 27.7 t -65.01 123.93 18.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-O 121.164 0.507 . . . . 0.0 111.027 -178.92 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.435 ' HD3' ' O ' ' A' ' 18' ' ' ARG . 4.2 tmt_? -98.48 -35.33 10.3 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 108.517 -0.92 . . . . 0.0 108.517 179.119 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 173.19 -158.5 28.18 Favored Glycine 0 N--CA 1.448 -0.547 0 CA-C-N 115.285 -0.871 . . . . 0.0 112.342 179.622 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 7.9 p -106.27 143.5 34.3 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-O 120.599 0.238 . . . . 0.0 110.948 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 58.4 m -98.21 -38.03 9.45 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.522 0.677 . . . . 0.0 110.347 179.513 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 171.24 -157.12 27.6 Favored Glycine 0 N--CA 1.441 -1.019 0 CA-C-N 115.194 -0.912 . . . . 0.0 111.063 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.467 ' O ' ' HB2' ' A' ' 24' ' ' ARG . 49.9 mm -61.87 110.28 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-O 120.575 0.226 . . . . 0.0 110.477 179.606 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.467 ' HB2' ' O ' ' A' ' 23' ' ' ILE . 19.4 mmt85 72.28 14.92 5.42 Favored 'General case' 0 N--CA 1.465 0.291 0 N-CA-C 113.291 0.849 . . . . 0.0 113.291 179.608 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 19.5 m-85 -127.49 132.57 49.96 Favored 'General case' 0 CA--C 1.511 -0.525 0 CA-C-N 118.704 0.684 . . . . 0.0 110.954 179.081 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 6.1 mp -116.41 143.19 45.88 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 115.069 -0.969 . . . . 0.0 109.368 179.345 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.453 ' CZ ' ' HB2' ' A' ' 4' ' ' CYS . 2.1 t80 -95.44 113.57 25.25 Favored 'General case' 0 C--N 1.314 -0.952 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 179.766 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.4 m -116.9 145.11 43.8 Favored 'General case' 0 C--N 1.314 -0.948 0 CA-C-O 121.228 0.537 . . . . 0.0 112.014 -178.608 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 8.8 m -130.53 130.08 22.88 Favored Pre-proline 0 C--N 1.321 -0.633 0 CA-C-N 115.395 -0.82 . . . . 0.0 108.983 179.055 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.575 ' HD2' ' O ' ' A' ' 3' ' ' LEU . 82.8 Cg_exo -45.57 151.77 1.06 Allowed 'Trans proline' 0 C--O 1.235 0.348 0 C-N-CA 123.479 2.786 . . . . 0.0 113.615 -179.667 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 39.8 mmm-85 -56.57 -34.33 67.03 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.408 -0.814 . . . . 0.0 112.538 -179.274 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 12.6 ptm180 . . . . . 0 C--O 1.252 1.204 0 CA-C-O 118.891 -0.576 . . . . 0.0 110.122 -179.977 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.701 0 N-CA-C 111.673 -0.571 . . . . 0.0 111.673 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.471 ' H ' ' HG ' ' A' ' 2' ' ' LEU . 0.8 OUTLIER -80.69 40.61 0.52 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.187 0.518 . . . . 0.0 111.418 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -172.01 133.4 0.71 Allowed 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.536 -0.913 . . . . 0.0 108.536 179.592 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.552 ' HB2' ' CE2' ' A' ' 27' ' ' TYR . 63.3 m -89.82 161.9 15.76 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-O 121.085 0.469 . . . . 0.0 110.308 -179.057 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 47.0 m-85 -127.72 143.67 51.13 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.614 179.466 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 96.1 m -79.19 128.32 33.15 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.149 0.5 . . . . 0.0 109.892 178.85 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.474 ' HG3' ' HA ' ' A' ' 11' ' ' CYS . 32.4 mmt180 -123.63 143.09 50.45 Favored 'General case' 0 C--N 1.311 -1.077 0 CA-C-N 115.438 -0.801 . . . . 0.0 109.663 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 20.8 ptmt -88.09 123.54 32.87 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-O 121.15 0.5 . . . . 0.0 111.699 -179.239 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 78.28 -45.0 2.5 Favored Glycine 0 N--CA 1.452 -0.272 0 CA-C-N 115.732 -0.667 . . . . 0.0 114.053 178.871 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -167.23 156.6 10.45 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.833 0.349 . . . . 0.0 111.321 -179.424 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.671 ' SG ' HG22 ' A' ' 17' ' ' VAL . 4.6 m -69.21 161.46 29.15 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.257 -0.883 . . . . 0.0 111.563 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.425 ' HE2' ' HB3' ' A' ' 12' ' ' LYS . 2.7 tmmm? -75.71 143.06 42.29 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 107.173 -1.417 . . . . 0.0 107.173 177.505 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.406 ' N ' ' HD2' ' A' ' 12' ' ' LYS . 26.8 mmm180 -48.42 105.34 0.07 Allowed 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 120.857 0.36 . . . . 0.0 111.274 -179.162 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 126.21 -23.63 5.77 Favored Glycine 0 N--CA 1.448 -0.559 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.344 -179.151 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.577 ' HA ' ' HA ' ' A' ' 30' ' ' PRO . 78.8 mt-10 -90.33 131.52 36.08 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-O 121.35 0.595 . . . . 0.0 111.11 -179.504 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 92.0 mtt180 -92.32 136.67 33.01 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.148 -0.933 . . . . 0.0 110.701 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.671 HG22 ' SG ' ' A' ' 11' ' ' CYS . 13.0 t -67.79 123.07 20.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-O 121.245 0.545 . . . . 0.0 110.846 179.756 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.413 ' NE ' ' HA ' ' A' ' 18' ' ' ARG . 7.7 tpm_? -102.97 -33.24 9.37 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.385 179.067 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -176.13 -159.37 21.71 Favored Glycine 0 N--CA 1.447 -0.616 0 CA-C-N 115.572 -0.74 . . . . 0.0 112.207 179.557 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 11.7 p -111.91 142.88 43.75 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 120.717 0.294 . . . . 0.0 111.181 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 42.7 m -97.67 -38.81 9.37 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.243 0.544 . . . . 0.0 110.725 179.404 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 171.92 -151.04 13.99 Favored Glycine 0 N--CA 1.444 -0.807 0 C-N-CA 120.716 -0.755 . . . . 0.0 112.054 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.638 ' H ' HD12 ' A' ' 23' ' ' ILE . 4.3 mp -61.55 103.64 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 120.892 0.377 . . . . 0.0 110.68 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.485 ' HA ' ' NE ' ' A' ' 24' ' ' ARG . 0.0 OUTLIER 67.96 22.93 8.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.275 -0.875 . . . . 0.0 112.133 -179.905 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 51.6 m-85 -124.15 132.11 53.6 Favored 'General case' 0 CA--C 1.512 -0.484 0 N-CA-C 109.727 -0.472 . . . . 0.0 109.727 178.793 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.8 mp -118.42 140.51 49.74 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.495 -179.452 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.552 ' CE2' ' HB2' ' A' ' 4' ' ' CYS . 1.4 t80 -91.33 110.3 21.59 Favored 'General case' 0 C--N 1.317 -0.813 0 N-CA-C 107.702 -1.222 . . . . 0.0 107.702 179.09 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 4.8 m -120.97 136.55 54.95 Favored 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 113.179 0.807 . . . . 0.0 113.179 -176.792 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.424 ' HA ' ' HD3' ' A' ' 30' ' ' PRO . 1.6 m -105.42 126.82 29.91 Favored Pre-proline 0 C--N 1.323 -0.557 0 CA-C-N 115.657 -0.702 . . . . 0.0 110.406 177.876 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.577 ' HA ' ' HA ' ' A' ' 15' ' ' GLU . 37.8 Cg_exo -59.65 145.96 96.66 Favored 'Trans proline' 0 C--O 1.234 0.3 0 C-N-CA 123.218 2.612 . . . . 0.0 113.161 -179.33 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 36.1 ttt85 -48.5 -47.13 39.03 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 115.002 -0.999 . . . . 0.0 112.088 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.404 ' HD2' ' OXT' ' A' ' 32' ' ' ARG . 3.1 tmm_? . . . . . 0 C--O 1.245 0.848 0 N-CA-C 108.443 -0.947 . . . . 0.0 108.443 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.711 0 N-CA-C 111.56 -0.616 . . . . 0.0 111.56 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 35.3 tp -75.63 71.04 2.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.166 0.508 . . . . 0.0 110.825 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 59.6 tp -166.85 133.41 2.36 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 108.331 -0.989 . . . . 0.0 108.331 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.597 ' HB2' ' CZ ' ' A' ' 27' ' ' TYR . 5.8 m -88.31 152.39 21.97 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-O 121.225 0.536 . . . . 0.0 110.804 -179.023 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 80.8 m-85 -136.53 146.28 46.02 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.433 -0.803 . . . . 0.0 111.074 -179.258 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 86.7 m -79.83 132.3 36.08 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 177.728 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.468 ' HG3' ' HA ' ' A' ' 11' ' ' CYS . 33.8 mmt180 -125.89 137.88 53.76 Favored 'General case' 0 C--N 1.313 -0.994 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 179.739 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.714 ' HD3' ' H ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -88.53 127.95 35.55 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-O 121.245 0.545 . . . . 0.0 110.587 -179.826 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 87.4 -52.2 4.27 Favored Glycine 0 N--CA 1.45 -0.398 0 CA-C-N 115.319 -0.855 . . . . 0.0 112.958 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -174.75 157.78 2.54 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.992 0.425 . . . . 0.0 111.096 179.539 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.644 ' SG ' HG22 ' A' ' 17' ' ' VAL . 3.2 m -69.41 164.92 21.94 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 114.973 -1.012 . . . . 0.0 112.03 -179.323 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 50.8 tptt -71.4 161.4 31.12 Favored 'General case' 0 N--CA 1.451 -0.396 0 N-CA-C 108.456 -0.942 . . . . 0.0 108.456 178.022 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 18.9 mmt85 -65.87 69.97 0.05 Allowed 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 121.104 0.478 . . . . 0.0 111.589 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 163.19 -18.11 0.14 Allowed Glycine 0 N--CA 1.441 -0.995 0 CA-C-N 115.977 -0.556 . . . . 0.0 112.325 -179.4 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.621 ' HB2' ' HB3' ' A' ' 11' ' ' CYS . 60.0 mt-10 -88.33 132.34 34.45 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-O 121.709 0.766 . . . . 0.0 111.821 -179.2 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 8.8 tpt180 -89.77 126.39 35.65 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-N 114.541 -1.209 . . . . 0.0 109.791 178.825 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.644 HG22 ' SG ' ' A' ' 11' ' ' CYS . 17.0 t -62.71 120.59 9.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 121.081 0.467 . . . . 0.0 110.863 -179.867 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.592 ' HD2' ' SG ' ' A' ' 29' ' ' CYS . 49.5 ttt85 -96.78 -35.45 10.96 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.417 -0.81 . . . . 0.0 109.328 179.34 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 177.82 -156.29 19.34 Favored Glycine 0 N--CA 1.448 -0.562 0 CA-C-N 115.292 -0.867 . . . . 0.0 112.458 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 12.3 p -109.62 142.53 40.62 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 120.702 0.287 . . . . 0.0 111.405 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 54.1 m -98.79 -38.39 9.08 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.363 0.602 . . . . 0.0 110.491 179.331 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 175.64 -157.39 23.71 Favored Glycine 0 N--CA 1.443 -0.889 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.612 179.705 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.516 ' O ' ' HB2' ' A' ' 24' ' ' ARG . 48.9 mm -63.3 103.15 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 120.638 0.256 . . . . 0.0 110.8 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.516 ' HB2' ' O ' ' A' ' 23' ' ' ILE . 0.0 OUTLIER 77.09 14.74 1.92 Allowed 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 115.354 -0.839 . . . . 0.0 112.616 -179.949 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 36.8 m-85 -123.51 132.17 53.84 Favored 'General case' 0 CA--C 1.513 -0.454 0 C-N-CA 120.415 -0.514 . . . . 0.0 109.631 178.649 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.0 mp -116.78 141.8 47.75 Favored 'General case' 0 C--N 1.312 -1.053 0 CA-C-N 115.5 -0.773 . . . . 0.0 109.936 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.597 ' CZ ' ' HB2' ' A' ' 4' ' ' CYS . 3.4 t80 -90.13 111.88 23.17 Favored 'General case' 0 C--N 1.317 -0.837 0 N-CA-C 107.793 -1.188 . . . . 0.0 107.793 178.855 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 4.6 m -119.44 140.62 50.14 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-O 121.163 0.506 . . . . 0.0 112.184 -177.356 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.592 ' SG ' ' HD2' ' A' ' 18' ' ' ARG . 21.0 m -112.51 120.67 40.71 Favored Pre-proline 0 C--N 1.322 -0.625 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.246 178.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.587 ' HA ' ' HA ' ' A' ' 15' ' ' GLU . 31.3 Cg_exo -59.34 144.15 99.5 Favored 'Trans proline' 0 N--CA 1.464 -0.219 0 C-N-CA 122.649 2.232 . . . . 0.0 112.059 -179.854 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 27.4 ptt180 -61.78 -23.6 66.3 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.326 -179.703 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 37.6 ptt180 . . . . . 0 C--O 1.248 1.0 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 179.155 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.893 0 N-CA-C 111.263 -0.735 . . . . 0.0 111.263 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 96.9 mt -74.09 140.05 45.03 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.895 0.348 . . . . 0.0 110.442 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 28.8 tp -80.36 54.99 2.13 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.502 0.668 . . . . 0.0 110.442 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.647 ' HB2' ' CZ ' ' A' ' 27' ' ' TYR . 33.5 m -108.55 161.24 15.25 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.549 -0.751 . . . . 0.0 109.807 -179.82 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 -134.06 137.96 44.99 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.992 0.425 . . . . 0.0 111.367 -179.165 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 84.6 m -84.78 133.13 34.36 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.237 177.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.414 ' HD2' ' HA ' ' A' ' 11' ' ' CYS . 60.1 mtt-85 -140.34 144.37 36.26 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-O 121.13 0.491 . . . . 0.0 110.458 179.842 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.413 ' HA ' ' O ' ' A' ' 24' ' ' ARG . 60.5 pttt -86.1 131.04 34.34 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.723 -179.094 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 81.49 -49.61 4.06 Favored Glycine 0 N--CA 1.451 -0.355 0 CA-C-N 115.456 -0.793 . . . . 0.0 114.507 178.679 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 26.4 p-80 -166.57 159.22 14.06 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.377 0.608 . . . . 0.0 112.208 -179.14 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.483 ' SG ' HG22 ' A' ' 17' ' ' VAL . 9.5 m -78.4 169.25 18.56 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 114.423 -1.262 . . . . 0.0 111.144 179.47 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 20.8 ttpp -90.73 146.22 24.17 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 107.899 -1.149 . . . . 0.0 107.899 177.096 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 38.1 tpt85 -46.05 105.29 0.06 Allowed 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 121.102 0.477 . . . . 0.0 111.231 -179.187 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 133.54 -34.36 2.43 Favored Glycine 0 N--CA 1.448 -0.525 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.939 -179.113 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.557 ' HA ' ' HA ' ' A' ' 30' ' ' PRO . 6.3 mt-10 -93.55 136.6 33.66 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.957 0.408 . . . . 0.0 110.68 -179.878 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 34.6 tpt85 -111.96 134.94 53.2 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.221 -0.445 . . . . 0.0 109.801 179.536 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.483 HG22 ' SG ' ' A' ' 11' ' ' CYS . 21.6 t -55.52 127.34 14.27 Favored 'Isoleucine or valine' 0 C--O 1.236 0.373 0 CA-C-O 121.043 0.449 . . . . 0.0 111.037 -179.401 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.653 ' HA ' ' HE ' ' A' ' 18' ' ' ARG . 3.5 mmp_? -117.84 -28.23 6.0 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.949 179.447 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -166.87 -162.17 17.83 Favored Glycine 0 N--CA 1.445 -0.708 0 C-N-CA 120.345 -0.931 . . . . 0.0 112.137 179.19 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 11.8 p -116.49 143.28 45.78 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 110.442 -0.207 . . . . 0.0 110.442 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.8 t -94.21 -41.06 9.68 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.782 0.801 . . . . 0.0 109.565 179.644 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 174.46 -155.6 21.52 Favored Glycine 0 N--CA 1.439 -1.162 0 CA-C-N 114.775 -1.102 . . . . 0.0 111.125 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.614 ' H ' HD12 ' A' ' 23' ' ' ILE . 4.3 mp -61.1 109.98 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-O 120.708 0.29 . . . . 0.0 110.686 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.467 ' HA ' ' NE ' ' A' ' 24' ' ' ARG . 14.1 mmp_? 72.47 14.94 5.21 Favored 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 113.645 0.979 . . . . 0.0 113.645 179.37 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 40.6 m-85 -127.05 132.76 50.61 Favored 'General case' 0 CA--C 1.512 -0.499 0 CA-C-N 118.826 0.739 . . . . 0.0 110.535 178.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.3 mp -110.48 143.93 40.05 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-N 115.084 -0.962 . . . . 0.0 109.653 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.647 ' CZ ' ' HB2' ' A' ' 4' ' ' CYS . 4.8 t80 -95.15 110.06 22.07 Favored 'General case' 0 C--N 1.314 -0.967 0 N-CA-C 108.109 -1.071 . . . . 0.0 108.109 179.295 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 13.5 m -108.25 139.04 43.53 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 115.576 -0.738 . . . . 0.0 112.239 -177.522 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.535 ' SG ' ' HG3' ' A' ' 18' ' ' ARG . 59.0 m -122.76 133.95 24.73 Favored Pre-proline 0 C--N 1.32 -0.708 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 178.303 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.557 ' HA ' ' HA ' ' A' ' 15' ' ' GLU . 49.8 Cg_exo -54.84 143.5 70.95 Favored 'Trans proline' 0 N--CA 1.465 -0.176 0 C-N-CA 122.459 2.106 . . . . 0.0 111.987 -179.58 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 2.1 tmm_? -61.22 -43.67 98.51 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.527 -179.135 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.246 0.907 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.597 -179.299 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.848 0 N-CA-C 112.202 -0.359 . . . . 0.0 112.202 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 93.1 mt -79.13 57.32 2.22 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.125 0.488 . . . . 0.0 111.31 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 62.8 tp -167.82 117.56 0.8 Allowed 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.277 179.787 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.562 ' HB2' ' CZ ' ' A' ' 27' ' ' TYR . 70.0 m -94.75 161.38 14.2 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.11 0.481 . . . . 0.0 110.086 -179.566 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 39.8 m-85 -130.72 140.71 50.35 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.466 -0.788 . . . . 0.0 109.43 179.035 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 93.6 m -84.44 128.32 34.52 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 121.099 0.476 . . . . 0.0 110.325 179.389 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.421 ' HE ' ' CD ' ' A' ' 15' ' ' GLU . 61.8 mtt-85 -137.11 140.78 42.15 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.112 179.555 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 25.3 pttm -84.16 132.95 34.63 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.444 -179.359 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 88.23 -52.73 4.11 Favored Glycine 0 N--CA 1.449 -0.475 0 CA-C-N 115.681 -0.69 . . . . 0.0 114.061 179.092 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.426 ' HA ' HD12 ' A' ' 26' ' ' LEU . 0.5 OUTLIER -173.28 163.44 4.57 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.122 0.487 . . . . 0.0 112.184 -179.417 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.612 ' SG ' HG22 ' A' ' 17' ' ' VAL . 3.7 m -72.14 169.47 16.01 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 114.857 -1.065 . . . . 0.0 111.171 179.625 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 50.2 tptt -74.07 161.02 30.46 Favored 'General case' 0 N--CA 1.45 -0.463 0 N-CA-C 108.174 -1.047 . . . . 0.0 108.174 177.508 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 20.4 mmm180 -66.0 70.13 0.06 Allowed 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 120.89 0.376 . . . . 0.0 111.82 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 160.63 -18.96 0.21 Allowed Glycine 0 N--CA 1.444 -0.81 0 CA-C-N 116.024 -0.535 . . . . 0.0 112.011 -179.5 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.586 ' HA ' ' HA ' ' A' ' 30' ' ' PRO . 93.6 mt-10 -84.53 141.73 30.52 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-O 121.431 0.634 . . . . 0.0 111.914 -179.264 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 36.0 mmt180 -101.62 132.73 47.14 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.238 -0.892 . . . . 0.0 109.273 178.737 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.612 HG22 ' SG ' ' A' ' 11' ' ' CYS . 17.7 t -62.98 124.85 18.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 121.075 0.464 . . . . 0.0 110.934 -179.257 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 28.7 tpt180 -101.46 -33.46 9.96 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.066 179.16 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 176.17 -160.33 28.12 Favored Glycine 0 N--CA 1.444 -0.801 0 CA-C-N 115.223 -0.898 . . . . 0.0 112.068 179.618 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 15.8 p -104.89 142.21 35.16 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-O 120.461 0.172 . . . . 0.0 110.962 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.416 ' HB3' ' CB ' ' A' ' 25' ' ' PHE . 7.9 t -90.5 -42.02 11.08 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 122.089 0.947 . . . . 0.0 108.93 178.856 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 173.0 -157.46 26.59 Favored Glycine 0 N--CA 1.438 -1.201 0 CA-C-N 114.192 -1.367 . . . . 0.0 110.558 179.814 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.434 ' O ' ' HB2' ' A' ' 24' ' ' ARG . 61.0 mt -61.27 109.96 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-O 120.576 0.227 . . . . 0.0 110.882 179.802 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.434 ' HB2' ' O ' ' A' ' 23' ' ' ILE . 68.3 mtp85 72.71 18.62 4.18 Favored 'General case' 0 N--CA 1.465 0.316 0 N-CA-C 113.436 0.902 . . . . 0.0 113.436 179.191 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.416 ' CB ' ' HB3' ' A' ' 21' ' ' CYS . 62.6 m-85 -132.13 132.35 43.17 Favored 'General case' 0 CA--C 1.513 -0.466 0 CA-C-N 118.611 0.641 . . . . 0.0 110.236 178.652 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.426 HD12 ' HA ' ' A' ' 10' ' ' HIS . 86.7 mt -109.5 143.53 39.01 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-N 115.206 -0.906 . . . . 0.0 110.022 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.562 ' CZ ' ' HB2' ' A' ' 4' ' ' CYS . 2.6 t80 -101.12 107.92 19.46 Favored 'General case' 0 C--N 1.315 -0.909 0 N-CA-C 107.816 -1.179 . . . . 0.0 107.816 179.173 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 6.4 m -120.06 139.36 52.65 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 113.281 0.845 . . . . 0.0 113.281 -176.793 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.408 ' HA ' ' HA ' ' A' ' 4' ' ' CYS . 1.4 m -105.98 125.74 32.39 Favored Pre-proline 0 C--N 1.326 -0.415 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.33 177.867 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.586 ' HA ' ' HA ' ' A' ' 15' ' ' GLU . 34.3 Cg_exo -61.49 145.24 98.12 Favored 'Trans proline' 0 C--O 1.235 0.34 0 C-N-CA 122.761 2.307 . . . . 0.0 111.853 179.697 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.721 ' HD3' ' N ' ' A' ' 32' ' ' ARG . 0.0 OUTLIER -43.6 -35.57 1.79 Allowed 'General case' 0 N--CA 1.471 0.607 0 O-C-N 124.18 0.925 . . . . 0.0 112.599 -179.493 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.721 ' N ' ' HD3' ' A' ' 31' ' ' ARG . 11.0 tpp180 . . . . . 0 C--O 1.245 0.847 0 N-CA-C 107.916 -1.142 . . . . 0.0 107.916 179.479 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.709 0 N-CA-C 111.774 -0.53 . . . . 0.0 111.774 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.821 HD23 ' H ' ' A' ' 2' ' ' LEU . 1.9 pt? -86.98 38.67 0.82 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.089 0.471 . . . . 0.0 110.652 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 37.9 tp -176.12 130.89 0.23 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.602 -0.726 . . . . 0.0 109.115 179.767 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.67 ' HB2' ' CZ ' ' A' ' 27' ' ' TYR . 11.8 m -110.99 158.12 19.14 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 116.601 -0.272 . . . . 0.0 110.418 -179.252 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 29.6 m-85 -133.88 157.14 46.73 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.141 -179.487 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 68.5 m -101.35 136.0 41.91 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 177.705 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.535 ' HD2' ' HA ' ' A' ' 11' ' ' CYS . 0.0 OUTLIER -132.63 156.0 47.72 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.725 179.705 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.461 ' HG2' ' CZ ' ' A' ' 25' ' ' PHE . 59.8 mttp -81.3 129.37 34.58 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.501 -179.514 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 74.56 -47.94 1.83 Allowed Glycine 0 N--CA 1.452 -0.258 0 N-CA-C 115.379 0.912 . . . . 0.0 115.379 177.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.66 ' HA ' HD12 ' A' ' 26' ' ' LEU . 0.5 OUTLIER -167.49 166.4 14.29 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 117.507 0.654 . . . . 0.0 112.481 -178.395 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.665 ' SG ' HG22 ' A' ' 17' ' ' VAL . 3.2 m -75.86 161.54 28.9 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.24 -0.891 . . . . 0.0 111.194 179.653 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.648 ' HB3' ' OE1' ' A' ' 15' ' ' GLU . 0.0 OUTLIER -84.82 148.38 26.34 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 107.402 -1.333 . . . . 0.0 107.402 176.958 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 24.3 mmt85 -46.63 111.33 0.37 Allowed 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 120.948 0.404 . . . . 0.0 111.63 -178.878 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 123.86 -26.3 5.94 Favored Glycine 0 N--CA 1.447 -0.591 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.719 -179.593 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.648 ' OE1' ' HB3' ' A' ' 12' ' ' LYS . 26.7 mt-10 -96.11 132.05 41.9 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-O 121.5 0.667 . . . . 0.0 111.469 -179.093 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 4.3 tpm_? -95.5 136.36 35.98 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.14 -0.936 . . . . 0.0 110.25 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.665 HG22 ' SG ' ' A' ' 11' ' ' CYS . 17.2 t -63.86 123.51 16.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 120.696 0.284 . . . . 0.0 110.608 179.62 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 4.6 tmt_? -96.54 -33.93 11.64 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 108.729 -0.841 . . . . 0.0 108.729 179.047 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 173.72 176.6 42.29 Favored Glycine 0 N--CA 1.443 -0.841 0 CA-C-N 115.17 -0.923 . . . . 0.0 111.631 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 8.2 p -76.8 141.32 40.78 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 116.597 0.198 . . . . 0.0 110.888 179.71 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.446 ' HB3' ' CB ' ' A' ' 25' ' ' PHE . 5.9 t -96.89 -43.75 7.34 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.686 0.755 . . . . 0.0 109.326 179.346 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 176.32 -157.86 23.86 Favored Glycine 0 N--CA 1.442 -0.909 0 CA-C-N 114.8 -1.091 . . . . 0.0 111.221 179.722 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.475 ' O ' ' HB2' ' A' ' 24' ' ' ARG . 48.5 mm -62.36 103.22 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-O 120.603 0.24 . . . . 0.0 110.875 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.475 ' HB2' ' O ' ' A' ' 23' ' ' ILE . 10.1 mpt_? 74.14 22.91 2.21 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 115.39 -0.823 . . . . 0.0 112.506 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.461 ' CZ ' ' HG2' ' A' ' 8' ' ' LYS . 14.8 m-85 -130.76 133.33 45.91 Favored 'General case' 0 CA--C 1.51 -0.592 0 C-N-CA 120.463 -0.495 . . . . 0.0 110.246 179.052 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.66 HD12 ' HA ' ' A' ' 10' ' ' HIS . 85.5 mt -116.76 134.48 54.74 Favored 'General case' 0 C--N 1.314 -0.966 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.131 179.393 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.67 ' CZ ' ' HB2' ' A' ' 4' ' ' CYS . 13.7 t80 -91.16 111.75 23.35 Favored 'General case' 0 C--N 1.312 -1.051 0 N-CA-C 107.443 -1.317 . . . . 0.0 107.443 178.697 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 4.7 m -121.16 145.01 48.27 Favored 'General case' 0 C--N 1.314 -0.971 0 N-CA-C 112.556 0.576 . . . . 0.0 112.556 -177.385 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.432 ' HA ' ' HD3' ' A' ' 30' ' ' PRO . 35.0 m -113.23 127.87 26.32 Favored Pre-proline 0 C--N 1.323 -0.549 0 CA-C-N 115.141 -0.936 . . . . 0.0 109.405 178.508 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.596 ' HA ' ' HA ' ' A' ' 15' ' ' GLU . 37.6 Cg_exo -62.05 142.52 92.74 Favored 'Trans proline' 0 C--O 1.235 0.328 0 C-N-CA 122.604 2.202 . . . . 0.0 111.949 -179.708 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 18.3 tpp180 -58.52 -51.18 70.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.631 -179.739 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 67.7 mtm180 . . . . . 0 C--O 1.248 0.982 0 CA-C-O 118.009 -0.996 . . . . 0.0 109.294 178.93 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.668 0 N-CA-C 111.168 -0.773 . . . . 0.0 111.168 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.405 HD22 ' HA ' ' A' ' 2' ' ' LEU . 1.5 tm? -82.2 105.78 13.55 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.192 0.52 . . . . 0.0 110.514 -179.64 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.5 pt? 179.47 133.03 0.09 Allowed 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 107.881 -1.155 . . . . 0.0 107.881 178.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.522 ' HB2' ' CZ ' ' A' ' 27' ' ' TYR . 86.2 m -88.74 157.66 18.44 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-O 121.651 0.739 . . . . 0.0 111.308 -178.108 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 46.2 m-85 -127.85 138.91 52.87 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-N 114.599 -1.182 . . . . 0.0 109.348 179.315 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 64.9 m -80.03 129.02 34.17 Favored 'General case' 0 C--N 1.317 -0.837 0 N-CA-C 109.759 -0.459 . . . . 0.0 109.759 178.471 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.415 ' HD2' ' HA ' ' A' ' 11' ' ' CYS . 27.9 mtt-85 -133.53 139.59 46.7 Favored 'General case' 0 C--N 1.312 -1.044 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.365 179.799 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 12.1 ptmm? -82.63 127.26 33.21 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.412 -0.813 . . . . 0.0 112.234 -178.729 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 86.57 -51.03 4.3 Favored Glycine 0 N--CA 1.451 -0.344 0 CA-C-N 115.612 -0.722 . . . . 0.0 113.592 178.791 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -174.8 164.63 3.56 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.879 0.371 . . . . 0.0 111.141 -179.753 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.616 ' SG ' HG22 ' A' ' 17' ' ' VAL . 3.4 m -70.16 160.74 31.54 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.435 -0.802 . . . . 0.0 111.019 179.696 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.498 ' HB3' ' OE1' ' A' ' 15' ' ' GLU . 20.3 ttpp -84.24 152.76 24.0 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 107.872 -1.159 . . . . 0.0 107.872 177.63 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 26.0 mmm180 -54.09 101.87 0.05 Allowed 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 140.01 -34.21 2.03 Favored Glycine 0 N--CA 1.445 -0.739 0 C-N-CA 120.99 -0.624 . . . . 0.0 112.117 -178.419 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.584 ' HA ' ' HA ' ' A' ' 30' ' ' PRO . 3.0 mp0 -93.26 135.88 34.06 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-O 121.297 0.57 . . . . 0.0 111.953 -179.626 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 58.1 mtp85 -96.87 138.77 33.9 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.126 -0.943 . . . . 0.0 109.982 178.651 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.616 HG22 ' SG ' ' A' ' 11' ' ' CYS . 13.9 t -63.97 129.09 27.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 121.161 0.505 . . . . 0.0 111.037 -179.771 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 31.4 tpt180 -111.55 -31.55 6.97 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.445 -0.798 . . . . 0.0 109.505 179.19 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -179.78 -159.58 23.89 Favored Glycine 0 N--CA 1.447 -0.627 0 CA-C-N 115.586 -0.734 . . . . 0.0 112.199 179.666 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 11.6 p -112.76 143.15 44.48 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 120.6 0.238 . . . . 0.0 111.043 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 56.1 m -96.29 -37.4 10.53 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.455 0.645 . . . . 0.0 110.448 179.422 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 171.56 -157.37 27.72 Favored Glycine 0 N--CA 1.441 -0.994 0 CA-C-N 115.261 -0.881 . . . . 0.0 111.305 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.608 ' H ' HD12 ' A' ' 23' ' ' ILE . 4.3 mp -62.67 108.43 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 N-CA-C 110.163 -0.31 . . . . 0.0 110.163 179.736 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.473 ' HB2' ' O ' ' A' ' 23' ' ' ILE . 20.2 mmt85 72.67 17.7 4.44 Favored 'General case' 0 N--CA 1.464 0.274 0 O-C-N 124.041 0.838 . . . . 0.0 113.204 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 44.1 m-85 -129.17 133.09 47.44 Favored 'General case' 0 CA--C 1.512 -0.482 0 CA-C-N 118.32 0.509 . . . . 0.0 109.962 178.454 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.2 mp -117.36 143.14 46.27 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.326 -179.419 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.522 ' CZ ' ' HB2' ' A' ' 4' ' ' CYS . 1.0 OUTLIER -94.16 110.47 22.19 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 179.297 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.3 m -119.02 135.12 54.79 Favored 'General case' 0 C--N 1.315 -0.893 0 N-CA-C 112.874 0.694 . . . . 0.0 112.874 -177.216 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.456 ' HA ' ' HD3' ' A' ' 30' ' ' PRO . 1.5 m -105.58 131.11 22.03 Favored Pre-proline 0 C--N 1.321 -0.655 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.315 177.671 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.584 ' HA ' ' HA ' ' A' ' 15' ' ' GLU . 34.4 Cg_exo -60.62 155.76 46.23 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.99 2.46 . . . . 0.0 112.124 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 81.6 mtt-85 -48.91 -40.63 30.73 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 115.784 -0.644 . . . . 0.0 112.062 -179.697 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.251 1.15 0 CA-C-O 117.96 -1.019 . . . . 0.0 109.271 179.753 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.896 0 N-CA-C 111.339 -0.704 . . . . 0.0 111.339 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 9.3 tt -167.99 143.33 3.74 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 -179.573 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 60.2 tp -159.3 126.48 4.73 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.98 0.419 . . . . 0.0 110.045 -179.711 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.662 ' HB2' ' CZ ' ' A' ' 27' ' ' TYR . 8.7 m -94.43 157.78 15.86 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.855 179.824 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 68.9 m-85 -132.27 145.92 51.64 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 120.971 0.415 . . . . 0.0 111.468 -179.103 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 90.8 m -79.83 131.47 35.89 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.225 -0.658 . . . . 0.0 109.225 177.802 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.538 ' HG3' ' HA ' ' A' ' 11' ' ' CYS . 35.0 mmt180 -124.82 142.11 51.66 Favored 'General case' 0 C--N 1.312 -1.038 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 25.6 pttm -86.46 126.14 34.21 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 121.286 0.565 . . . . 0.0 111.274 -179.353 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 78.29 -47.86 3.0 Favored Glycine 0 N--CA 1.451 -0.325 0 CA-C-N 115.499 -0.773 . . . . 0.0 113.856 179.415 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 30.1 p-80 -167.16 156.85 10.79 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.874 0.369 . . . . 0.0 111.127 -179.765 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.595 ' SG ' HG22 ' A' ' 17' ' ' VAL . 3.6 m -70.61 163.3 27.29 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.051 -0.977 . . . . 0.0 111.318 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 23.8 tptm -72.36 147.59 46.12 Favored 'General case' 0 N--CA 1.447 -0.607 0 N-CA-C 107.368 -1.345 . . . . 0.0 107.368 177.006 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 29.8 tpt180 -56.14 92.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.955 0.407 . . . . 0.0 110.402 -179.518 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.466 ' O ' ' HG2' ' A' ' 31' ' ' ARG . . . 146.12 -27.56 1.71 Allowed Glycine 0 N--CA 1.443 -0.861 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.931 -178.639 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.59 ' HB2' ' HB3' ' A' ' 11' ' ' CYS . 59.7 mt-10 -84.69 135.19 34.26 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-O 121.626 0.727 . . . . 0.0 111.686 -179.484 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.51 126.81 37.76 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-N 114.747 -1.115 . . . . 0.0 109.029 179.149 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.595 HG22 ' SG ' ' A' ' 11' ' ' CYS . 17.8 t -59.94 123.48 12.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 121.048 0.452 . . . . 0.0 111.155 -179.639 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.448 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 43.7 tpt85 -101.46 -33.05 10.12 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.617 -0.72 . . . . 0.0 109.718 179.495 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 175.03 -155.02 19.77 Favored Glycine 0 N--CA 1.447 -0.614 0 CA-C-N 115.49 -0.777 . . . . 0.0 112.327 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.414 ' HA ' ' HA ' ' A' ' 26' ' ' LEU . 10.7 p -111.81 143.22 43.1 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 120.607 0.241 . . . . 0.0 111.08 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 51.4 m -98.34 -38.34 9.28 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.364 0.602 . . . . 0.0 110.369 179.337 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 172.57 -155.96 24.2 Favored Glycine 0 N--CA 1.44 -1.035 0 CA-C-N 115.306 -0.861 . . . . 0.0 111.445 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.469 ' O ' ' HB2' ' A' ' 24' ' ' ARG . 62.2 mt -61.38 108.01 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-O 120.66 0.267 . . . . 0.0 110.765 179.771 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.48 ' HA ' ' NE ' ' A' ' 24' ' ' ARG . 13.5 mmp_? 72.68 14.02 5.14 Favored 'General case' 0 N--CA 1.466 0.361 0 N-CA-C 113.321 0.86 . . . . 0.0 113.321 179.561 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 40.1 m-85 -127.48 134.04 49.85 Favored 'General case' 0 CA--C 1.513 -0.463 0 C-N-CA 120.076 -0.65 . . . . 0.0 110.342 178.889 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.414 ' HA ' ' HA ' ' A' ' 20' ' ' THR . 5.1 mp -117.5 143.68 45.82 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 115.198 -0.91 . . . . 0.0 109.684 -179.864 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.662 ' CZ ' ' HB2' ' A' ' 4' ' ' CYS . 3.1 t80 -89.96 114.37 26.19 Favored 'General case' 0 C--N 1.316 -0.873 0 N-CA-C 108.01 -1.108 . . . . 0.0 108.01 179.208 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.8 m -120.56 139.48 52.88 Favored 'General case' 0 C--N 1.312 -1.05 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.936 -177.672 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.448 ' SG ' ' HB2' ' A' ' 18' ' ' ARG . 21.6 m -111.62 122.22 37.88 Favored Pre-proline 0 C--N 1.32 -0.687 0 CA-C-N 115.745 -0.661 . . . . 0.0 109.703 179.267 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.549 ' HA ' ' HA ' ' A' ' 15' ' ' GLU . 31.3 Cg_exo -59.02 144.82 99.2 Favored 'Trans proline' 0 N--CA 1.465 -0.153 0 C-N-CA 122.434 2.09 . . . . 0.0 111.379 179.773 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.466 ' HG2' ' O ' ' A' ' 14' ' ' GLY . 2.6 ptm180 -73.62 11.81 0.75 Allowed 'General case' 0 CA--C 1.538 0.514 0 N-CA-C 112.396 0.517 . . . . 0.0 112.396 -179.033 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.255 1.354 0 C-N-CA 123.09 0.556 . . . . 0.0 111.197 179.678 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.839 0 N-CA-C 111.327 -0.709 . . . . 0.0 111.327 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.419 HD22 ' HA ' ' A' ' 2' ' ' LEU . 1.4 tm? -84.33 103.51 13.57 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.239 0.543 . . . . 0.0 110.855 -179.64 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.6 pt? 179.09 129.31 0.07 Allowed 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 114.616 -1.175 . . . . 0.0 107.829 178.742 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.62 ' HB2' ' CZ ' ' A' ' 27' ' ' TYR . 83.1 m -89.42 156.7 18.51 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.552 0.691 . . . . 0.0 111.35 -178.017 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 17.1 m-85 -129.0 138.9 52.22 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 114.7 -1.136 . . . . 0.0 109.237 178.626 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 69.9 m -84.02 126.5 33.11 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.009 0.433 . . . . 0.0 110.247 178.701 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.612 ' HD2' ' HA ' ' A' ' 11' ' ' CYS . 43.3 mtt-85 -136.11 143.2 44.43 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.55 179.115 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.51 ' HA ' ' O ' ' A' ' 24' ' ' ARG . 18.8 ptpt -82.87 131.48 35.19 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.817 -0.629 . . . . 0.0 112.378 -178.583 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 76.18 -50.22 2.7 Favored Glycine 0 C--O 1.227 -0.308 0 CA-C-N 115.35 -0.841 . . . . 0.0 114.271 178.642 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 26.1 p-80 -169.31 160.9 9.76 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.094 0.473 . . . . 0.0 111.034 -179.276 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.612 ' HA ' ' HD2' ' A' ' 7' ' ' ARG . 90.3 m -100.87 -176.86 3.29 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 114.977 -1.01 . . . . 0.0 110.441 179.441 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.406 ' HG2' ' CD ' ' A' ' 15' ' ' GLU . 7.7 ptpp? -78.29 163.1 26.02 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.755 -0.378 . . . . 0.0 110.288 -179.11 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.763 ' HD2' ' H ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -69.15 53.86 0.1 Allowed 'General case' 0 N--CA 1.471 0.619 0 CA-C-O 122.09 0.948 . . . . 0.0 110.952 179.48 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.465 ' HA2' ' CZ ' ' A' ' 31' ' ' ARG . . . -166.24 -30.36 0.02 OUTLIER Glycine 0 N--CA 1.44 -1.035 0 CA-C-N 114.689 -1.141 . . . . 0.0 110.836 -179.706 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.566 ' HB2' ' HB3' ' A' ' 11' ' ' CYS . 29.7 mt-10 -87.86 125.49 34.51 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-O 121.342 0.591 . . . . 0.0 109.713 179.106 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.5 ptp180 -97.64 131.98 43.7 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-N 115.221 -0.9 . . . . 0.0 110.023 -178.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 39.4 t -64.23 122.61 15.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-O 121.017 0.437 . . . . 0.0 110.88 -179.333 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 62.7 ttt-85 -105.4 -28.7 10.7 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.663 179.586 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -172.52 -169.83 35.62 Favored Glycine 0 N--CA 1.445 -0.735 0 C-N-CA 120.614 -0.803 . . . . 0.0 112.2 179.726 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 16.4 p -103.5 142.3 34.51 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 120.532 0.206 . . . . 0.0 110.911 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.434 ' SG ' ' HB2' ' A' ' 27' ' ' TYR . 62.4 m -96.69 -37.92 10.13 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.523 0.678 . . . . 0.0 110.296 179.425 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 170.96 -158.07 29.38 Favored Glycine 0 N--CA 1.44 -1.034 0 CA-C-N 115.196 -0.911 . . . . 0.0 111.162 179.83 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.51 ' O ' ' HB2' ' A' ' 24' ' ' ARG . 60.3 mt -62.16 106.85 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-O 120.532 0.206 . . . . 0.0 110.628 179.758 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.51 ' O ' ' HA ' ' A' ' 8' ' ' LYS . 51.8 mmt-85 74.51 17.6 3.04 Favored 'General case' 0 N--CA 1.464 0.264 0 N-CA-C 113.16 0.8 . . . . 0.0 113.16 179.692 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 55.5 m-85 -127.6 132.16 49.84 Favored 'General case' 0 CA--C 1.514 -0.431 0 C-N-CA 120.035 -0.666 . . . . 0.0 110.71 178.838 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -113.26 141.86 46.5 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 115.139 -0.937 . . . . 0.0 110.136 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.62 ' CZ ' ' HB2' ' A' ' 4' ' ' CYS . 2.6 t80 -98.94 105.35 17.48 Favored 'General case' 0 C--N 1.315 -0.902 0 N-CA-C 108.515 -0.92 . . . . 0.0 108.515 179.59 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.2 m -114.4 139.33 49.58 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 113.549 0.944 . . . . 0.0 113.549 -177.86 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.419 ' SG ' ' N ' ' A' ' 4' ' ' CYS . 1.7 m -110.05 129.52 23.85 Favored Pre-proline 0 C--N 1.322 -0.59 0 CA-C-N 115.167 -0.924 . . . . 0.0 109.129 176.461 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.541 ' HA ' ' HA ' ' A' ' 15' ' ' GLU . 54.0 Cg_exo -52.3 150.91 18.77 Favored 'Trans proline' 0 C--O 1.234 0.298 0 C-N-CA 123.221 2.614 . . . . 0.0 112.481 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.465 ' CZ ' ' HA2' ' A' ' 14' ' ' GLY . 90.4 mtm-85 -58.91 -30.83 68.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.391 -179.529 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 54.2 ttp180 . . . . . 0 C--O 1.249 1.029 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 179.413 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.92 0 N-CA-C 111.238 -0.745 . . . . 0.0 111.238 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -163.7 147.55 10.27 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 -179.685 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.6 pp -167.7 139.42 3.05 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.592 ' HB2' ' CZ ' ' A' ' 27' ' ' TYR . 39.8 m -141.63 161.83 36.97 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.607 -179.369 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 37.7 m-85 -140.9 140.09 34.47 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.868 0.366 . . . . 0.0 111.56 -179.024 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 90.4 m -80.66 131.99 35.54 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 177.206 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.536 ' HD2' ' HA ' ' A' ' 11' ' ' CYS . 66.6 mtt-85 -136.12 143.79 44.74 Favored 'General case' 0 C--N 1.313 -0.993 0 CA-C-O 121.21 0.528 . . . . 0.0 111.063 -179.859 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.472 ' HB2' ' CE2' ' A' ' 25' ' ' PHE . 37.4 ttpt -87.88 124.86 34.1 Favored 'General case' 0 C--N 1.315 -0.908 0 CA-C-N 115.262 -0.881 . . . . 0.0 112.098 -178.562 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 82.24 -45.06 3.28 Favored Glycine 0 N--CA 1.451 -0.337 0 N-CA-C 115.232 0.853 . . . . 0.0 115.232 177.877 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 31.3 p-80 -165.15 158.13 16.3 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 117.692 0.746 . . . . 0.0 112.537 -178.629 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.566 ' SG ' HG22 ' A' ' 17' ' ' VAL . 15.1 m -87.85 170.92 10.77 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 114.645 -1.161 . . . . 0.0 110.808 179.186 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.45 ' HG2' ' N ' ' A' ' 13' ' ' ARG . 13.4 ttmt -71.66 155.41 40.54 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.598 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.45 ' N ' ' HG2' ' A' ' 12' ' ' LYS . 38.7 mmt180 -67.63 62.17 0.07 Allowed 'General case' 0 N--CA 1.469 0.475 0 CA-C-O 121.481 0.658 . . . . 0.0 111.077 179.648 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 175.87 -24.17 0.06 OUTLIER Glycine 0 N--CA 1.441 -1.029 0 CA-C-N 115.371 -0.831 . . . . 0.0 111.73 -179.178 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.607 ' HA ' ' HA ' ' A' ' 30' ' ' PRO . 41.5 mt-10 -93.8 131.53 39.08 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-O 121.273 0.559 . . . . 0.0 110.803 -179.839 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 4.1 ptm180 -94.99 140.44 29.95 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 115.182 -0.917 . . . . 0.0 110.16 179.645 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.566 HG22 ' SG ' ' A' ' 11' ' ' CYS . 23.2 t -66.53 119.6 12.13 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 CA-C-O 120.973 0.416 . . . . 0.0 111.066 -179.811 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 34.8 ttm180 -91.37 -37.2 13.38 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 108.32 -0.993 . . . . 0.0 108.32 177.767 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -175.69 -158.62 19.89 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.261 -0.971 . . . . 0.0 112.724 179.527 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 11.5 p -105.61 142.62 35.04 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 120.657 0.265 . . . . 0.0 111.292 -179.79 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 37.8 m -99.31 -37.63 9.18 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.343 0.592 . . . . 0.0 110.706 179.538 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 175.59 -159.51 27.37 Favored Glycine 0 N--CA 1.442 -0.955 0 CA-C-N 115.497 -0.774 . . . . 0.0 111.501 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.48 ' O ' ' HB2' ' A' ' 24' ' ' ARG . 60.2 mt -62.21 103.14 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-O 120.54 0.21 . . . . 0.0 110.837 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.48 ' HB2' ' O ' ' A' ' 23' ' ' ILE . 65.6 mtp180 76.19 18.34 1.94 Allowed 'General case' 0 N--CA 1.467 0.383 0 O-C-N 124.231 0.957 . . . . 0.0 112.935 179.59 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.472 ' CE2' ' HB2' ' A' ' 8' ' ' LYS . 57.7 m-85 -127.53 132.98 49.83 Favored 'General case' 0 CA--C 1.514 -0.438 0 CA-C-N 118.217 0.462 . . . . 0.0 109.868 178.373 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.3 mp -115.0 144.36 43.73 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.21 -179.304 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.592 ' CZ ' ' HB2' ' A' ' 4' ' ' CYS . 7.0 t80 -92.67 108.79 20.25 Favored 'General case' 0 C--N 1.315 -0.891 0 N-CA-C 108.037 -1.097 . . . . 0.0 108.037 179.182 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 3.7 m -110.0 144.26 38.81 Favored 'General case' 0 C--N 1.319 -0.74 0 O-C-N 123.782 0.676 . . . . 0.0 112.184 -177.615 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 33.2 m -127.6 128.32 23.96 Favored Pre-proline 0 C--N 1.324 -0.542 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.395 178.723 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.607 ' HA ' ' HA ' ' A' ' 15' ' ' GLU . 44.9 Cg_exo -59.4 146.28 95.38 Favored 'Trans proline' 0 C--O 1.232 0.225 0 C-N-CA 122.958 2.439 . . . . 0.0 112.417 -179.605 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 95.4 mtm-85 -67.38 -34.14 76.66 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.078 179.702 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 40.2 tpt85 . . . . . 0 C--O 1.25 1.126 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 179.881 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.885 0 N-CA-C 111.259 -0.736 . . . . 0.0 111.259 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 7.6 mp -71.47 138.15 48.77 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.825 0.312 . . . . 0.0 110.174 179.394 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.845 ' H ' HD23 ' A' ' 3' ' ' LEU . 1.5 pt? -81.95 58.95 4.1 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.097 -179.677 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.566 ' HB2' ' CZ ' ' A' ' 27' ' ' TYR . 7.0 m -87.69 151.29 23.04 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.166 0.508 . . . . 0.0 110.246 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 73.3 m-85 -139.95 149.2 43.0 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.617 -0.72 . . . . 0.0 111.901 -178.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 97.8 m -83.65 132.58 34.87 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.353 -0.84 . . . . 0.0 109.389 177.742 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 54.7 mtt-85 -137.86 141.48 40.73 Favored 'General case' 0 C--N 1.313 -0.998 0 CA-C-O 121.067 0.461 . . . . 0.0 110.343 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.548 ' HD3' ' O ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -83.39 132.17 35.0 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.576 -0.738 . . . . 0.0 112.633 -178.687 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 83.57 -52.43 4.72 Favored Glycine 0 N--CA 1.451 -0.356 0 CA-C-N 115.205 -0.907 . . . . 0.0 114.642 178.374 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -169.54 161.77 9.73 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.126 0.488 . . . . 0.0 112.12 -179.1 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.608 ' SG ' HG22 ' A' ' 17' ' ' VAL . 7.5 m -77.59 167.79 21.04 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 114.886 -1.052 . . . . 0.0 111.506 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.478 ' HG2' ' N ' ' A' ' 13' ' ' ARG . 8.7 ttmt -71.19 154.9 41.33 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 107.918 -1.141 . . . . 0.0 107.918 177.327 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.478 ' N ' ' HG2' ' A' ' 12' ' ' LYS . 23.7 mmm180 -65.2 69.64 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 121.019 0.438 . . . . 0.0 111.564 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.408 ' N ' ' O ' ' A' ' 12' ' ' LYS . . . 166.18 -23.94 0.14 Allowed Glycine 0 N--CA 1.443 -0.844 0 CA-C-N 115.747 -0.661 . . . . 0.0 111.868 -179.246 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.59 ' HA ' ' HA ' ' A' ' 30' ' ' PRO . 51.3 mt-10 -90.31 136.76 32.85 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-O 121.43 0.633 . . . . 0.0 110.999 -179.65 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -94.36 134.22 37.09 Favored 'General case' 0 C--N 1.313 -0.998 0 CA-C-N 114.951 -1.022 . . . . 0.0 110.219 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.608 HG22 ' SG ' ' A' ' 11' ' ' CYS . 15.9 t -62.28 120.8 9.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 120.92 0.391 . . . . 0.0 110.473 179.62 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.443 ' HD2' ' HD2' ' A' ' 27' ' ' TYR . 0.0 OUTLIER -95.52 -33.84 12.27 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 179.414 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 178.96 -160.36 25.92 Favored Glycine 0 N--CA 1.447 -0.615 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.463 179.802 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 14.3 p -106.38 142.85 35.36 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 120.656 0.265 . . . . 0.0 111.082 -179.82 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.473 ' SG ' ' HB2' ' A' ' 27' ' ' TYR . 56.9 m -100.9 -36.42 9.06 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.33 0.586 . . . . 0.0 110.415 179.393 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 173.28 -162.44 33.64 Favored Glycine 0 N--CA 1.439 -1.13 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.288 179.728 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.505 ' O ' ' HB2' ' A' ' 24' ' ' ARG . 60.3 mt -64.13 103.88 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 N-CA-C 110.589 -0.152 . . . . 0.0 110.589 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.505 ' HB2' ' O ' ' A' ' 23' ' ' ILE . 67.1 mtm180 81.41 15.44 0.55 Allowed 'General case' 0 N--CA 1.469 0.505 0 O-C-N 124.447 1.092 . . . . 0.0 112.642 179.668 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 61.6 m-85 -128.63 132.15 48.12 Favored 'General case' 0 CA--C 1.516 -0.361 0 C-N-CA 120.334 -0.546 . . . . 0.0 110.289 179.064 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 83.1 mt -115.69 143.6 45.13 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.386 -179.725 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.566 ' CZ ' ' HB2' ' A' ' 4' ' ' CYS . 6.4 t80 -94.65 111.72 23.49 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 107.861 -1.163 . . . . 0.0 107.861 178.855 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 4.2 m -115.88 140.62 49.05 Favored 'General case' 0 C--N 1.315 -0.916 0 N-CA-C 112.813 0.672 . . . . 0.0 112.813 -177.457 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.44 ' HA ' ' HD3' ' A' ' 30' ' ' PRO . 60.8 m -113.71 125.15 29.92 Favored Pre-proline 0 C--N 1.323 -0.574 0 CA-C-N 115.305 -0.861 . . . . 0.0 108.903 178.439 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.59 ' HA ' ' HA ' ' A' ' 15' ' ' GLU . 33.6 Cg_exo -62.39 143.78 94.04 Favored 'Trans proline' 0 CA--C 1.52 -0.183 0 C-N-CA 122.833 2.355 . . . . 0.0 112.977 -179.187 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 47.4 ttm-85 -67.46 -35.51 79.35 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.832 179.45 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.021 0 N-CA-C 108.154 -1.054 . . . . 0.0 108.154 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.856 0 N-CA-C 111.073 -0.811 . . . . 0.0 111.073 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 7.2 mp -69.02 144.26 54.1 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 110.052 -0.351 . . . . 0.0 110.052 179.207 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.417 ' O ' ' HD2' ' A' ' 30' ' ' PRO . 48.4 tp -163.85 124.79 2.25 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 -179.699 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.64 ' HB2' ' CZ ' ' A' ' 27' ' ' TYR . 11.5 m -146.09 158.56 43.88 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 -179.588 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 82.5 m-85 -139.33 147.56 41.73 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.866 0.365 . . . . 0.0 111.383 -179.279 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 90.8 m -79.39 130.56 35.55 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 177.801 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.577 ' HG3' ' HA ' ' A' ' 11' ' ' CYS . 34.8 mmt180 -123.77 144.62 49.58 Favored 'General case' 0 C--N 1.312 -1.036 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.73 -179.77 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 7.1 ptpp? -91.34 122.43 33.94 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-O 121.152 0.501 . . . . 0.0 111.457 -179.51 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 75.83 -42.08 1.53 Allowed Glycine 0 C--O 1.227 -0.316 0 CA-C-N 115.58 -0.736 . . . . 0.0 114.186 179.169 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 27.9 p-80 -164.59 154.35 13.8 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.048 0.451 . . . . 0.0 111.52 -179.134 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.6 ' HB3' ' HB2' ' A' ' 15' ' ' GLU . 3.9 m -75.67 164.52 26.21 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 114.8 -1.091 . . . . 0.0 110.57 179.353 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.492 ' HG2' ' CD ' ' A' ' 15' ' ' GLU . 17.4 pttm -76.76 152.95 35.43 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 107.485 -1.302 . . . . 0.0 107.485 177.646 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 23.0 mmt85 -50.83 102.24 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.916 0.389 . . . . 0.0 111.415 -178.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 130.01 -30.51 3.51 Favored Glycine 0 N--CA 1.443 -0.841 0 C-N-CA 120.403 -0.903 . . . . 0.0 113.638 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.612 ' HA ' ' HA ' ' A' ' 30' ' ' PRO . 76.8 mt-10 -79.88 133.54 36.25 Favored 'General case' 0 CA--C 1.512 -0.484 0 CA-C-O 121.652 0.739 . . . . 0.0 112.085 -178.849 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 7.4 mpt_? -94.86 133.68 38.32 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 114.573 -1.194 . . . . 0.0 110.247 179.229 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.485 HG22 ' SG ' ' A' ' 11' ' ' CYS . 25.4 t -64.02 120.18 10.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 121.315 0.579 . . . . 0.0 111.03 -179.503 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.454 ' NE ' ' HA ' ' A' ' 18' ' ' ARG . 7.5 tpm_? -96.82 -35.44 10.94 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.556 -0.747 . . . . 0.0 109.324 179.084 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -179.98 -156.73 18.67 Favored Glycine 0 N--CA 1.447 -0.597 0 CA-C-N 115.394 -0.821 . . . . 0.0 112.315 179.746 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 11.2 p -109.5 143.05 39.67 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 120.57 0.224 . . . . 0.0 111.136 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 31.8 m -98.49 -38.42 9.19 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.489 0.661 . . . . 0.0 110.328 179.41 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 172.32 -157.94 28.0 Favored Glycine 0 N--CA 1.44 -1.058 0 CA-C-N 115.27 -0.877 . . . . 0.0 111.282 179.761 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.614 ' H ' HD12 ' A' ' 23' ' ' ILE . 4.3 mp -62.48 109.54 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 110.409 -0.219 . . . . 0.0 110.409 179.804 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.427 ' HB2' ' O ' ' A' ' 23' ' ' ILE . 69.3 mtp85 72.98 18.26 4.0 Favored 'General case' 0 CA--C 1.532 0.283 0 O-C-N 124.05 0.844 . . . . 0.0 112.991 179.585 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 71.8 m-85 -133.44 133.4 42.28 Favored 'General case' 0 CA--C 1.514 -0.442 0 CA-C-N 118.325 0.511 . . . . 0.0 110.345 178.681 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.2 mp -118.91 142.63 47.59 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.444 -0.798 . . . . 0.0 109.629 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.64 ' CZ ' ' HB2' ' A' ' 4' ' ' CYS . 3.1 t80 -88.0 109.69 20.02 Favored 'General case' 0 C--N 1.316 -0.891 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 179.388 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 9.4 m -113.95 135.98 53.4 Favored 'General case' 0 C--N 1.313 -0.983 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.574 -178.413 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.437 ' SG ' ' HB2' ' A' ' 18' ' ' ARG . 46.5 m -106.46 120.62 47.94 Favored Pre-proline 0 C--N 1.315 -0.899 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 178.538 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.612 ' HA ' ' HA ' ' A' ' 15' ' ' GLU . 35.0 Cg_exo -61.41 142.91 97.06 Favored 'Trans proline' 0 N--CA 1.461 -0.436 0 C-N-CA 122.482 2.122 . . . . 0.0 111.524 -179.659 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 40.6 ttp85 -70.45 -22.73 62.66 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 179.562 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 3.0 ptm180 . . . . . 0 C--O 1.246 0.901 0 CA-C-N 114.253 -1.34 . . . . 0.0 107.8 179.196 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.829 0 N-CA-C 111.522 -0.631 . . . . 0.0 111.522 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.436 HD22 ' HA ' ' A' ' 2' ' ' LEU . 1.2 tm? -134.39 107.02 7.37 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.155 0.502 . . . . 0.0 110.153 179.582 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 45.0 tp 178.86 118.64 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 114.751 -1.113 . . . . 0.0 108.241 179.571 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.669 ' HB2' ' CZ ' ' A' ' 27' ' ' TYR . 12.2 m -89.82 155.25 19.29 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 121.031 0.443 . . . . 0.0 111.007 -178.745 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 32.9 m-85 -136.26 142.45 43.98 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.514 -178.649 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 67.5 m -84.51 133.93 34.45 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 177.298 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.528 ' HB2' ' SG ' ' A' ' 11' ' ' CYS . 2.4 mpt_? -134.63 160.12 39.1 Favored 'General case' 0 C--N 1.312 -1.039 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.977 178.899 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 57.4 pttt -105.1 123.16 47.33 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.219 0.533 . . . . 0.0 111.432 -179.594 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 75.84 -43.8 1.71 Allowed Glycine 0 CA--C 1.519 0.302 0 CA-C-N 115.747 -0.66 . . . . 0.0 114.157 179.22 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 28.8 p-80 -163.35 156.73 19.24 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.951 0.405 . . . . 0.0 111.121 -179.383 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.582 ' HB3' ' HB2' ' A' ' 15' ' ' GLU . 90.7 m -102.93 -178.56 3.7 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 115.088 -0.96 . . . . 0.0 111.047 179.756 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.463 ' HD3' ' OE2' ' A' ' 15' ' ' GLU . 28.9 mtpp -76.04 160.58 29.66 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.683 -179.422 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -68.48 62.28 0.1 Allowed 'General case' 0 N--CA 1.47 0.55 0 CA-C-O 121.834 0.826 . . . . 0.0 110.957 179.365 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.58 ' HA2' ' NH1' ' A' ' 31' ' ' ARG . . . 179.47 -29.29 0.06 OUTLIER Glycine 0 N--CA 1.438 -1.209 0 CA-C-N 115.011 -0.995 . . . . 0.0 110.827 -179.071 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.582 ' HB2' ' HB3' ' A' ' 11' ' ' CYS . 37.0 mt-10 -84.61 125.06 32.13 Favored 'General case' 0 N--CA 1.443 -0.803 0 CA-C-O 121.471 0.653 . . . . 0.0 110.0 179.472 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.476 ' NH1' ' HB3' ' A' ' 16' ' ' ARG . 16.4 ttp-105 -100.0 127.75 46.17 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 115.03 -0.986 . . . . 0.0 110.082 -179.281 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 36.3 t -57.87 125.34 13.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-O 121.366 0.603 . . . . 0.0 111.595 -179.352 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.567 ' HD2' ' SG ' ' A' ' 29' ' ' CYS . 34.4 ttt-85 -106.56 -32.96 7.83 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.12 -0.945 . . . . 0.0 109.407 179.224 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -176.21 -160.31 23.35 Favored Glycine 0 N--CA 1.447 -0.633 0 CA-C-N 115.325 -0.852 . . . . 0.0 112.265 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 7.9 p -107.38 144.71 33.88 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 120.741 0.305 . . . . 0.0 111.372 -179.697 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 56.9 m -98.85 -37.71 9.33 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.46 0.648 . . . . 0.0 110.199 179.304 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 172.27 -157.6 27.47 Favored Glycine 0 N--CA 1.441 -0.995 0 CA-C-N 115.211 -0.904 . . . . 0.0 111.178 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.467 ' O ' ' HB2' ' A' ' 24' ' ' ARG . 62.6 mt -62.42 109.81 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-O 120.557 0.217 . . . . 0.0 110.512 179.663 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.467 ' HB2' ' O ' ' A' ' 23' ' ' ILE . 85.7 mtt-85 73.38 14.51 4.43 Favored 'General case' 0 N--CA 1.466 0.338 0 O-C-N 123.976 0.798 . . . . 0.0 113.119 179.628 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.401 ' HA ' ' O ' ' A' ' 7' ' ' ARG . 42.8 m-85 -129.32 135.92 49.37 Favored 'General case' 0 CA--C 1.514 -0.424 0 CA-C-N 118.526 0.603 . . . . 0.0 110.649 179.123 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.501 ' N ' HD13 ' A' ' 26' ' ' LEU . 0.0 OUTLIER -121.72 146.11 47.36 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.439 -0.801 . . . . 0.0 110.059 179.379 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.669 ' CZ ' ' HB2' ' A' ' 4' ' ' CYS . 2.6 t80 -96.37 111.98 23.88 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.715 -178.631 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 83.6 m -111.31 145.33 39.0 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-O 121.225 0.536 . . . . 0.0 112.165 -179.551 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.567 ' SG ' ' HD2' ' A' ' 18' ' ' ARG . 20.1 m -120.48 132.94 23.98 Favored Pre-proline 0 C--N 1.317 -0.835 0 N-CA-C 108.348 -0.982 . . . . 0.0 108.348 177.694 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_exo -50.6 149.51 13.51 Favored 'Trans proline' 0 C--O 1.237 0.445 0 C-N-CA 123.231 2.621 . . . . 0.0 113.496 -178.901 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.58 ' NH1' ' HA2' ' A' ' 14' ' ' GLY . 22.3 ptt-85 -65.22 -33.94 77.2 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.553 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.438 ' HD3' ' HA ' ' A' ' 32' ' ' ARG . 31.4 mmt-85 . . . . . 0 C--O 1.25 1.091 0 CA-C-O 117.989 -1.005 . . . . 0.0 108.884 179.433 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.92 0 N-CA-C 111.115 -0.794 . . . . 0.0 111.115 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 7.2 mp -69.14 138.47 54.22 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.85 0.325 . . . . 0.0 110.157 179.216 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 27.2 tp -163.43 54.04 0.17 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.648 0.737 . . . . 0.0 109.674 -179.674 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.567 ' HB2' ' CZ ' ' A' ' 27' ' ' TYR . 28.4 m -104.3 157.32 17.22 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.483 -0.78 . . . . 0.0 110.439 -179.662 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 31.4 m-85 -132.6 139.73 47.92 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.448 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.471 ' SG ' ' HB3' ' A' ' 25' ' ' PHE . 43.5 t -90.03 140.83 29.26 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 108.186 -1.042 . . . . 0.0 108.186 178.056 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 50.9 mtt-85 -141.0 146.83 37.78 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.111 0.481 . . . . 0.0 111.401 -178.253 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.513 ' HA ' ' O ' ' A' ' 24' ' ' ARG . 5.8 ptmm? -91.84 113.56 25.86 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.324 -0.853 . . . . 0.0 111.452 -179.872 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 108.9 -55.45 0.51 Allowed Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.895 -0.669 . . . . 0.0 113.453 178.73 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -176.29 161.77 2.33 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.947 0.403 . . . . 0.0 111.475 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.53 ' HB3' ' HB2' ' A' ' 15' ' ' GLU . 4.2 m -75.53 164.52 26.26 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.158 -0.928 . . . . 0.0 111.064 179.791 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 28.0 mtpp -78.89 162.63 25.9 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.34 177.668 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 39.0 mmt180 -67.52 67.29 0.09 Allowed 'General case' 0 N--CA 1.467 0.418 0 CA-C-O 121.166 0.508 . . . . 0.0 110.99 179.514 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.623 ' O ' ' HG2' ' A' ' 31' ' ' ARG . . . 175.25 -26.42 0.07 OUTLIER Glycine 0 N--CA 1.443 -0.865 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.362 -179.089 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.623 ' HA ' ' HA ' ' A' ' 30' ' ' PRO . 16.5 mt-10 -90.52 152.17 21.04 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-O 121.171 0.51 . . . . 0.0 111.705 -179.878 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.434 ' CZ ' ' HA ' ' A' ' 31' ' ' ARG . 8.2 ptp180 -113.54 139.49 48.94 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 108.035 -1.098 . . . . 0.0 108.035 179.112 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.425 HG22 ' SG ' ' A' ' 11' ' ' CYS . 23.7 t -67.24 122.21 17.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-O 121.012 0.434 . . . . 0.0 110.979 -178.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.556 ' HD2' ' O ' ' A' ' 18' ' ' ARG . 4.7 tmm_? -98.98 -35.82 9.94 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 108.449 -0.945 . . . . 0.0 108.449 179.083 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 179.87 -178.48 48.58 Favored Glycine 0 N--CA 1.444 -0.8 0 CA-C-N 115.191 -0.913 . . . . 0.0 111.655 179.832 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.407 ' HA ' ' HA ' ' A' ' 26' ' ' LEU . 7.2 p -99.75 142.43 31.23 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-O 120.57 0.224 . . . . 0.0 111.312 179.839 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.462 ' HB2' ' CB ' ' A' ' 25' ' ' PHE . 90.7 m -87.73 -44.53 11.09 Favored 'General case' 0 CA--C 1.514 -0.438 0 CA-C-O 121.894 0.854 . . . . 0.0 109.239 178.732 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 171.52 -152.35 17.6 Favored Glycine 0 N--CA 1.439 -1.166 0 CA-C-N 114.311 -1.313 . . . . 0.0 111.064 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.671 ' H ' HD12 ' A' ' 23' ' ' ILE . 4.5 mp -60.11 106.76 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-O 120.731 0.3 . . . . 0.0 111.062 -179.827 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.513 ' O ' ' HA ' ' A' ' 8' ' ' LYS . 76.6 mtt85 72.94 18.54 3.98 Favored 'General case' 0 N--CA 1.467 0.419 0 N-CA-C 113.795 1.035 . . . . 0.0 113.795 179.032 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.512 ' CE2' ' HB3' ' A' ' 8' ' ' LYS . 33.1 m-85 -134.54 138.38 44.59 Favored 'General case' 0 CA--C 1.516 -0.365 0 CA-C-N 118.898 0.772 . . . . 0.0 109.866 178.554 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.427 ' N ' HD23 ' A' ' 26' ' ' LEU . 1.1 pt? -134.98 142.95 46.59 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.188 0.518 . . . . 0.0 110.369 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.567 ' CZ ' ' HB2' ' A' ' 4' ' ' CYS . 2.5 t80 -91.46 114.67 27.26 Favored 'General case' 0 C--O 1.242 0.67 0 CA-C-N 115.433 -0.803 . . . . 0.0 109.291 -179.492 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 6.1 m -113.8 141.48 47.26 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.419 -0.809 . . . . 0.0 112.163 -178.185 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 31.2 m -121.27 129.3 25.32 Favored Pre-proline 0 C--N 1.322 -0.588 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 178.324 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.623 ' HA ' ' HA ' ' A' ' 15' ' ' GLU . 72.5 Cg_exo -47.35 142.8 12.05 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.728 2.285 . . . . 0.0 112.257 -179.751 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.623 ' HG2' ' O ' ' A' ' 14' ' ' GLY . 2.8 ptp85 -80.65 47.8 1.0 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.062 0.458 . . . . 0.0 111.984 -179.28 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 41.0 tpt85 . . . . . 0 C--O 1.247 0.973 0 CA-C-O 118.461 -0.78 . . . . 0.0 109.31 178.378 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.756 0 N-CA-C 111.243 -0.743 . . . . 0.0 111.243 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 96.8 mt -69.08 137.21 53.33 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.815 0.308 . . . . 0.0 110.424 179.351 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 31.7 tp -79.1 69.35 5.27 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.574 -179.759 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.622 ' HB2' ' CZ ' ' A' ' 27' ' ' TYR . 6.7 m -89.23 155.47 19.38 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.678 -179.35 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 78.7 m-85 -134.19 147.96 50.83 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.099 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 88.6 m -79.67 129.76 34.76 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 177.644 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.553 ' HG3' ' HA ' ' A' ' 11' ' ' CYS . 35.1 mmt180 -121.99 141.79 50.98 Favored 'General case' 0 C--N 1.311 -1.07 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.807 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.417 ' HB3' ' CE2' ' A' ' 25' ' ' PHE . 54.5 pttt -88.24 123.27 32.69 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.337 -179.294 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 78.43 -47.33 2.95 Favored Glycine 0 N--CA 1.451 -0.338 0 CA-C-N 115.625 -0.716 . . . . 0.0 113.664 179.363 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -166.62 155.09 10.36 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.14 0.495 . . . . 0.0 111.635 -179.756 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.681 ' SG ' HG22 ' A' ' 17' ' ' VAL . 3.9 m -71.66 166.7 21.36 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 114.915 -1.039 . . . . 0.0 111.282 -179.862 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 32.7 mmmt -74.13 160.26 31.47 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 177.729 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 28.9 tpt180 -64.4 75.96 0.04 OUTLIER 'General case' 0 CA--C 1.532 0.27 0 CA-C-O 121.042 0.448 . . . . 0.0 111.188 -179.5 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 159.16 -25.09 0.33 Allowed Glycine 0 N--CA 1.444 -0.784 0 C-N-CA 121.19 -0.529 . . . . 0.0 112.077 -179.285 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.599 ' HB2' ' HB3' ' A' ' 11' ' ' CYS . 52.1 mt-10 -86.01 138.22 32.13 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-O 121.562 0.696 . . . . 0.0 111.799 -179.131 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.428 ' HD3' ' HA ' ' A' ' 16' ' ' ARG . 26.7 mmt180 -102.07 131.45 48.53 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 115.023 -0.99 . . . . 0.0 110.393 178.599 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.681 HG22 ' SG ' ' A' ' 11' ' ' CYS . 10.8 t -64.79 127.26 25.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.591 -179.793 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 60.9 ttp85 -118.59 -22.47 7.49 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.153 179.251 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -167.78 -169.1 30.86 Favored Glycine 0 N--CA 1.446 -0.651 0 C-N-CA 119.983 -1.103 . . . . 0.0 112.82 179.549 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 16.4 p -112.7 143.87 43.18 Favored 'General case' 0 C--N 1.318 -0.769 0 C-N-CA 122.419 0.288 . . . . 0.0 110.31 179.724 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 55.8 m -102.31 -37.29 8.14 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.296 0.57 . . . . 0.0 110.897 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 170.09 -158.39 30.38 Favored Glycine 0 N--CA 1.442 -0.966 0 C-N-CA 120.753 -0.737 . . . . 0.0 111.424 179.731 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.474 ' O ' ' HB2' ' A' ' 24' ' ' ARG . 60.0 mt -62.46 107.17 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 N-CA-C 110.563 -0.162 . . . . 0.0 110.563 179.654 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.474 ' HB2' ' O ' ' A' ' 23' ' ' ILE . 79.7 mtp180 74.8 17.63 2.82 Favored 'General case' 0 N--CA 1.466 0.345 0 O-C-N 124.151 0.907 . . . . 0.0 113.003 179.662 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.417 ' CE2' ' HB3' ' A' ' 8' ' ' LYS . 58.5 m-85 -129.94 130.94 45.74 Favored 'General case' 0 CA--C 1.512 -0.49 0 C-N-CA 120.198 -0.601 . . . . 0.0 110.293 178.592 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 78.2 mt -115.18 141.35 48.13 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-N 115.085 -0.961 . . . . 0.0 110.35 -179.646 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.622 ' CZ ' ' HB2' ' A' ' 4' ' ' CYS . 3.4 t80 -88.5 105.82 17.88 Favored 'General case' 0 C--N 1.316 -0.874 0 N-CA-C 108.137 -1.06 . . . . 0.0 108.137 178.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.4 m -111.99 139.9 47.11 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 115.492 -0.776 . . . . 0.0 111.864 -177.701 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.415 ' HA ' ' HD3' ' A' ' 30' ' ' PRO . 13.6 m -112.47 123.08 34.84 Favored Pre-proline 0 C--N 1.318 -0.797 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 178.907 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.562 ' HA ' ' HA ' ' A' ' 15' ' ' GLU . 38.7 Cg_exo -59.43 145.69 97.19 Favored 'Trans proline' 0 N--CA 1.464 -0.234 0 C-N-CA 122.626 2.217 . . . . 0.0 111.574 -179.829 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 28.4 mtp85 -60.81 -37.27 81.4 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.428 -179.44 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.658 ' OXT' ' HD2' ' A' ' 32' ' ' ARG . 0.3 OUTLIER . . . . . 0 C--O 1.248 0.999 0 CA-C-O 117.554 -1.212 . . . . 0.0 108.02 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.849 0 N-CA-C 111.312 -0.715 . . . . 0.0 111.312 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -162.53 151.8 15.48 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 179.615 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 32.6 tp -159.43 56.35 0.39 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.529 0.681 . . . . 0.0 109.466 -179.616 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.569 ' HB2' ' CZ ' ' A' ' 27' ' ' TYR . 43.2 m -89.03 162.68 15.89 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.165 -179.502 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 26.6 m-85 -117.51 138.02 52.16 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.096 179.652 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 95.7 m -81.67 126.96 32.4 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.026 178.838 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 62.2 mtt-85 -135.28 139.89 44.74 Favored 'General case' 0 C--N 1.312 -1.056 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.253 179.447 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.738 ' HD3' ' H ' ' A' ' 8' ' ' LYS . 0.3 OUTLIER -81.33 134.64 35.61 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 115.501 -0.772 . . . . 0.0 111.694 -178.867 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 85.81 -53.7 4.71 Favored Glycine 0 N--CA 1.449 -0.498 0 CA-C-N 115.396 -0.82 . . . . 0.0 114.096 178.822 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -174.3 164.77 3.97 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.065 0.459 . . . . 0.0 111.694 -179.534 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.634 ' SG ' HG22 ' A' ' 17' ' ' VAL . 3.3 m -71.21 161.68 30.69 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.084 -0.962 . . . . 0.0 111.135 179.67 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 21.8 tttm -77.98 147.61 34.8 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 107.596 -1.261 . . . . 0.0 107.596 176.803 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 27.7 mmm180 -50.6 110.81 0.45 Allowed 'General case' 0 C--O 1.238 0.45 0 N-CA-C 110.047 -0.353 . . . . 0.0 110.047 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 124.4 -21.75 6.75 Favored Glycine 0 N--CA 1.445 -0.757 0 C-N-CA 120.878 -0.677 . . . . 0.0 112.81 -178.86 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.622 ' HA ' ' HA ' ' A' ' 30' ' ' PRO . 56.5 mt-10 -94.98 137.27 34.26 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-O 121.707 0.765 . . . . 0.0 111.871 -178.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 15.2 tpt180 -97.05 132.58 42.71 Favored 'General case' 0 C--N 1.314 -0.967 0 CA-C-N 114.547 -1.206 . . . . 0.0 109.391 178.831 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.634 HG22 ' SG ' ' A' ' 11' ' ' CYS . 13.5 t -62.92 124.56 17.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-O 121.077 0.465 . . . . 0.0 110.944 -179.578 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 29.3 tpt180 -98.65 -33.9 10.77 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.355 -0.839 . . . . 0.0 108.941 178.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 176.5 -160.21 27.62 Favored Glycine 0 N--CA 1.446 -0.683 0 CA-C-N 115.305 -0.861 . . . . 0.0 112.122 179.64 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 13.1 p -106.74 142.46 36.34 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 120.602 0.239 . . . . 0.0 110.931 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 55.0 m -96.8 -37.31 10.32 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.429 0.633 . . . . 0.0 110.37 179.514 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 172.86 -160.66 31.67 Favored Glycine 0 N--CA 1.439 -1.139 0 CA-C-N 115.195 -0.911 . . . . 0.0 111.143 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.5 ' O ' ' HB2' ' A' ' 24' ' ' ARG . 44.7 mm -63.61 106.92 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 N-CA-C 110.385 -0.228 . . . . 0.0 110.385 179.702 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.5 ' HB2' ' O ' ' A' ' 23' ' ' ILE . 90.3 mtm-85 77.39 15.98 1.66 Allowed 'General case' 0 N--CA 1.468 0.45 0 O-C-N 124.249 0.968 . . . . 0.0 112.948 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 55.0 m-85 -128.21 131.71 48.83 Favored 'General case' 0 CA--C 1.512 -0.507 0 CA-C-N 118.637 0.653 . . . . 0.0 110.466 178.868 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.5 mp -112.8 142.78 45.05 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 115.13 -0.941 . . . . 0.0 110.383 -179.773 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.569 ' CZ ' ' HB2' ' A' ' 4' ' ' CYS . 6.0 t80 -96.55 109.8 22.32 Favored 'General case' 0 C--N 1.316 -0.86 0 N-CA-C 107.884 -1.154 . . . . 0.0 107.884 179.275 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.8 m -123.23 141.61 51.8 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 113.663 0.986 . . . . 0.0 113.663 -177.153 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.4 m -115.36 129.13 25.36 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 115.179 -0.919 . . . . 0.0 110.159 177.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.622 ' HA ' ' HA ' ' A' ' 15' ' ' GLU . 32.9 Cg_exo -61.17 139.81 85.72 Favored 'Trans proline' 0 C--O 1.233 0.241 0 C-N-CA 122.558 2.172 . . . . 0.0 111.699 179.5 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 5.3 ptm180 -66.42 -34.12 77.23 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.481 -179.383 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 28.1 mtm-85 . . . . . 0 C--O 1.241 0.657 0 O-C-N 123.829 0.705 . . . . 0.0 110.124 -179.513 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.919 0 N-CA-C 111.075 -0.81 . . . . 0.0 111.075 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 98.5 mt -69.24 146.33 52.42 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.811 0.305 . . . . 0.0 110.188 178.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.468 ' O ' ' HD2' ' A' ' 30' ' ' PRO . 56.8 tp -162.04 126.12 3.2 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.325 -0.398 . . . . 0.0 109.949 -179.782 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.61 ' HB2' ' CZ ' ' A' ' 27' ' ' TYR . 10.7 m -147.58 158.46 44.01 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 -179.887 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 54.0 m-85 -133.76 144.99 49.4 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.425 0.631 . . . . 0.0 111.855 -178.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.483 ' HA ' ' O ' ' A' ' 26' ' ' LEU . 72.0 m -90.59 134.14 34.59 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.225 -0.898 . . . . 0.0 109.547 177.763 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.656 ' HB2' ' O ' ' A' ' 10' ' ' HIS . 70.9 mtt-85 -144.79 144.74 31.32 Favored 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 108.809 -0.811 . . . . 0.0 108.809 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 53.2 tttm -66.74 102.21 0.91 Allowed 'General case' 0 C--N 1.316 -0.856 0 N-CA-C 113.428 0.899 . . . . 0.0 113.428 -177.486 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 50.77 40.97 42.6 Favored Glycine 0 C--O 1.228 -0.245 0 CA-C-N 114.112 -1.403 . . . . 0.0 115.87 177.109 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.656 ' O ' ' HB2' ' A' ' 7' ' ' ARG . 0.1 OUTLIER 179.4 163.02 0.9 Allowed 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 117.135 0.468 . . . . 0.0 110.594 178.311 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.582 ' HB3' ' HB2' ' A' ' 15' ' ' GLU . 5.0 m -124.32 161.04 26.71 Favored 'General case' 0 C--N 1.314 -0.975 0 CA-C-N 115.855 -0.612 . . . . 0.0 110.15 179.851 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.617 ' HB3' ' CD ' ' A' ' 15' ' ' GLU . 18.3 tttt -64.98 150.23 48.39 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 107.517 -1.29 . . . . 0.0 107.517 177.088 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.408 ' N ' ' HG2' ' A' ' 12' ' ' LYS . 37.2 mmt180 -58.21 96.97 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 179.652 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 131.42 -19.91 4.75 Favored Glycine 0 N--CA 1.445 -0.735 0 C-N-CA 120.92 -0.657 . . . . 0.0 112.179 -178.476 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.665 ' HA ' ' HA ' ' A' ' 30' ' ' PRO . 98.2 mt-10 -81.11 131.67 35.31 Favored 'General case' 0 CA--C 1.515 -0.394 0 CA-C-O 121.413 0.625 . . . . 0.0 111.808 -179.473 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 38.9 ttm180 -94.92 133.09 39.03 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.126 -0.943 . . . . 0.0 110.001 178.306 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 46.5 t -57.77 125.11 13.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 121.27 0.557 . . . . 0.0 111.272 -179.776 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.452 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 13.5 tpt180 -99.56 -35.96 9.69 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.184 -0.916 . . . . 0.0 109.279 179.382 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 163.17 -157.16 29.2 Favored Glycine 0 N--CA 1.446 -0.689 0 CA-C-N 114.881 -1.054 . . . . 0.0 111.465 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 10.9 p -94.19 142.53 27.29 Favored 'General case' 0 C--N 1.317 -0.84 0 O-C-N 122.968 -0.136 . . . . 0.0 110.825 179.401 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 13.7 t -90.5 -46.57 8.24 Favored 'General case' 0 CA--C 1.513 -0.453 0 CA-C-O 121.984 0.897 . . . . 0.0 109.056 179.172 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 173.98 -153.76 17.85 Favored Glycine 0 N--CA 1.436 -1.347 0 CA-C-N 114.143 -1.39 . . . . 0.0 110.608 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 49.6 mm -58.97 108.23 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-O 120.862 0.363 . . . . 0.0 111.284 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 22.6 mmt85 69.17 23.37 6.42 Favored 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 113.718 1.007 . . . . 0.0 113.718 178.866 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 71.1 m-85 -133.93 136.08 43.99 Favored 'General case' 0 CA--C 1.507 -0.676 0 CA-C-O 121.711 0.767 . . . . 0.0 111.436 178.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.483 ' O ' ' HA ' ' A' ' 6' ' ' CYS . 41.0 tp -104.61 143.09 33.54 Favored 'General case' 0 C--N 1.311 -1.079 0 CA-C-N 114.081 -1.418 . . . . 0.0 108.572 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.61 ' CZ ' ' HB2' ' A' ' 4' ' ' CYS . 10.8 t80 -106.79 112.54 25.57 Favored 'General case' 0 C--N 1.301 -1.507 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 -179.14 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.7 m -120.18 137.91 53.92 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-O 121.122 0.487 . . . . 0.0 111.671 -178.585 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.452 ' SG ' ' HB2' ' A' ' 18' ' ' ARG . 82.6 m -102.54 118.9 57.59 Favored Pre-proline 0 C--N 1.32 -0.678 0 N-CA-C 108.752 -0.833 . . . . 0.0 108.752 178.186 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.665 ' HA ' ' HA ' ' A' ' 15' ' ' GLU . 34.3 Cg_exo -62.92 135.42 51.55 Favored 'Trans proline' 0 CA--C 1.512 -0.605 0 C-N-CA 122.725 2.284 . . . . 0.0 112.972 -178.668 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 30.3 tpt180 -77.27 -30.55 54.4 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 107.731 -1.211 . . . . 0.0 107.731 177.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 11.6 tpt180 . . . . . 0 C--O 1.244 0.787 0 CA-C-N 114.091 -1.413 . . . . 0.0 107.907 179.119 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 15.7 m-85 . . . . . 0 CA--C 1.517 -0.289 0 CA-C-O 121.301 0.572 . . . . 0.0 112.011 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 98.2 m -80.99 135.95 35.94 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.14 -0.936 . . . . 0.0 109.365 177.432 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 74.3 mmt-85 -124.63 146.86 48.85 Favored 'General case' 0 C--N 1.311 -1.107 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.551 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.676 ' HG2' ' CE2' ' A' ' 25' ' ' PHE . 43.9 mtpt -91.27 119.84 31.67 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.779 -179.123 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 75.73 -44.74 1.79 Allowed Glycine 0 N--CA 1.452 -0.283 0 CA-C-N 116.043 -0.526 . . . . 0.0 114.234 179.168 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -167.54 157.04 10.26 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.153 0.501 . . . . 0.0 112.01 -179.148 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.588 ' SG ' HG22 ' A' ' 17' ' ' VAL . 3.6 m -79.71 165.91 22.34 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.015 -0.993 . . . . 0.0 110.786 179.743 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 50.8 mtmt -80.46 165.36 22.25 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 178.113 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -66.72 70.4 0.08 Allowed 'General case' 0 N--CA 1.466 0.375 0 CA-C-O 121.002 0.43 . . . . 0.0 111.402 179.667 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 168.83 -26.24 0.12 Allowed Glycine 0 N--CA 1.443 -0.895 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.575 -179.318 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.575 ' HA ' ' HA ' ' A' ' 30' ' ' PRO . 26.1 mt-10 -96.46 124.24 40.39 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-O 121.025 0.441 . . . . 0.0 110.427 -179.739 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.467 ' HD3' ' HA ' ' A' ' 16' ' ' ARG . 19.1 mmt85 -93.88 137.13 33.44 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.86 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.588 HG22 ' SG ' ' A' ' 11' ' ' CYS . 16.7 t -61.7 125.91 18.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.983 -179.682 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.89 -30.72 8.34 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.533 -0.758 . . . . 0.0 109.335 179.144 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -174.25 -161.1 23.62 Favored Glycine 0 N--CA 1.446 -0.636 0 C-N-CA 120.585 -0.817 . . . . 0.0 112.405 179.787 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 16.6 p -111.31 143.02 42.77 Favored 'General case' 0 C--N 1.32 -0.693 0 C-N-CA 122.201 0.2 . . . . 0.0 111.033 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 39.7 m -99.28 -35.82 9.83 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.505 0.669 . . . . 0.0 110.255 179.288 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 171.31 -159.86 31.81 Favored Glycine 0 N--CA 1.439 -1.101 0 CA-C-N 115.304 -0.862 . . . . 0.0 111.066 179.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.558 ' H ' HD12 ' A' ' 23' ' ' ILE . 4.3 mp -64.36 109.1 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 N-CA-C 109.941 -0.392 . . . . 0.0 109.941 179.496 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.478 ' HB2' ' O ' ' A' ' 23' ' ' ILE . 61.6 mtp85 75.22 16.52 2.74 Favored 'General case' 0 N--CA 1.466 0.372 0 O-C-N 124.019 0.824 . . . . 0.0 112.697 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.676 ' CE2' ' HG2' ' A' ' 8' ' ' LYS . 14.0 m-85 -128.2 132.4 48.83 Favored 'General case' 0 CA--C 1.513 -0.469 0 CA-C-O 121.121 0.486 . . . . 0.0 110.004 178.861 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 72.8 mt -117.96 140.47 49.68 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.685 -179.307 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -89.24 107.87 19.3 Favored 'General case' 0 C--N 1.317 -0.844 0 N-CA-C 107.84 -1.17 . . . . 0.0 107.84 178.758 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 3.9 m -110.98 140.37 45.56 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.934 -177.715 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 35.0 m -114.83 121.26 35.81 Favored Pre-proline 0 C--N 1.319 -0.76 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.282 178.51 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.575 ' HA ' ' HA ' ' A' ' 15' ' ' GLU . 51.7 Cg_exo . . . . . 0 C--O 1.232 0.199 0 C-N-CA 122.862 2.374 . . . . 0.0 111.473 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 51.7 m-85 . . . . . 0 C--O 1.233 0.198 0 CA-C-O 120.936 0.398 . . . . 0.0 111.498 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 91.8 m -81.07 133.02 35.4 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.394 177.761 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 58.5 mtt-85 -137.82 139.59 40.05 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-O 121.06 0.457 . . . . 0.0 110.085 179.615 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.461 ' HA ' ' O ' ' A' ' 24' ' ' ARG . 0.0 OUTLIER -82.46 133.55 35.21 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 115.525 -0.761 . . . . 0.0 112.021 -178.798 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 87.12 -55.6 4.58 Favored Glycine 0 N--CA 1.451 -0.312 0 CA-C-N 115.242 -0.89 . . . . 0.0 113.355 179.423 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -175.05 165.82 3.47 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.88 0.371 . . . . 0.0 111.136 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.651 ' SG ' HG22 ' A' ' 17' ' ' VAL . 3.7 m -72.04 160.66 32.12 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.291 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.499 ' HB3' ' OE1' ' A' ' 15' ' ' GLU . 13.0 ttpp -87.24 151.14 23.41 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 107.358 -1.349 . . . . 0.0 107.358 177.01 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 53.2 mmm-85 -48.84 116.46 1.65 Allowed 'General case' 0 C--O 1.235 0.295 0 CA-C-O 120.764 0.316 . . . . 0.0 110.378 -179.749 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 123.36 -30.99 4.8 Favored Glycine 0 N--CA 1.445 -0.759 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.644 -178.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.574 ' HA ' ' HA ' ' A' ' 30' ' ' PRO . 3.4 mt-10 -97.73 131.29 44.4 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-O 121.257 0.551 . . . . 0.0 111.793 -179.211 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 47.4 mmm-85 -94.52 138.27 32.63 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.141 179.317 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.651 HG22 ' SG ' ' A' ' 11' ' ' CYS . 11.0 t -64.98 123.8 18.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-O 120.908 0.385 . . . . 0.0 111.14 -179.737 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.629 ' HD2' ' SG ' ' A' ' 29' ' ' CYS . 51.4 ttt-85 -100.72 -34.05 10.01 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.071 -0.715 . . . . 0.0 109.071 178.65 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 176.8 -158.05 23.7 Favored Glycine 0 N--CA 1.446 -0.639 0 CA-C-N 115.371 -0.831 . . . . 0.0 112.45 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 7.9 p -107.17 143.34 35.5 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 120.583 0.23 . . . . 0.0 111.314 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.413 ' SG ' ' HB2' ' A' ' 27' ' ' TYR . 49.9 m -99.38 -38.15 8.95 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.325 0.583 . . . . 0.0 110.513 179.436 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 175.04 -157.02 23.66 Favored Glycine 0 N--CA 1.442 -0.952 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.603 179.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.487 ' O ' ' HB2' ' A' ' 24' ' ' ARG . 46.7 mm -61.54 103.6 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 120.532 0.206 . . . . 0.0 110.963 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.487 ' HB2' ' O ' ' A' ' 23' ' ' ILE . 0.9 OUTLIER 74.66 15.53 3.26 Favored 'General case' 0 N--CA 1.469 0.478 0 O-C-N 124.108 0.88 . . . . 0.0 112.961 179.775 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 34.0 m-85 -124.11 133.59 53.57 Favored 'General case' 0 CA--C 1.512 -0.514 0 CA-C-N 118.479 0.581 . . . . 0.0 110.04 178.782 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.6 mp -115.28 144.13 44.2 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.028 -179.741 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.413 ' HB2' ' SG ' ' A' ' 21' ' ' CYS . 3.9 t80 -94.43 112.56 24.34 Favored 'General case' 0 C--N 1.316 -0.867 0 N-CA-C 108.158 -1.053 . . . . 0.0 108.158 179.204 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 10.9 m -117.01 139.56 50.53 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-N 116.122 -0.49 . . . . 0.0 112.264 -177.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.629 ' SG ' ' HD2' ' A' ' 18' ' ' ARG . 38.9 m -112.25 125.76 29.57 Favored Pre-proline 0 C--N 1.32 -0.698 0 CA-C-N 115.505 -0.771 . . . . 0.0 109.672 178.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.574 ' HA ' ' HA ' ' A' ' 15' ' ' GLU . 31.2 Cg_exo . . . . . 0 CA--C 1.52 -0.21 0 C-N-CA 122.879 2.386 . . . . 0.0 112.059 -179.708 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 89.6 m-85 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.924 0.392 . . . . 0.0 111.536 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 69.1 m -84.12 132.7 34.67 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.165 177.592 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.46 ' HE ' ' CD ' ' A' ' 15' ' ' GLU . 69.8 mtt-85 -136.27 143.45 44.25 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-O 121.399 0.618 . . . . 0.0 110.769 179.725 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 63.1 tttm -83.24 126.5 32.72 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.043 -0.98 . . . . 0.0 111.849 -178.66 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 88.29 -54.36 4.2 Favored Glycine 0 N--CA 1.448 -0.526 0 CA-C-N 115.558 -0.746 . . . . 0.0 114.711 178.228 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -172.02 158.2 4.61 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.576 0.584 . . . . 0.0 112.576 -178.716 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.554 ' SG ' HG22 ' A' ' 17' ' ' VAL . 3.3 m -72.92 162.39 29.55 Favored 'General case' 0 C--O 1.24 0.571 0 CA-C-N 115.054 -0.976 . . . . 0.0 111.453 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 61.0 tttp -72.36 156.45 39.07 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 108.092 -1.077 . . . . 0.0 108.092 177.283 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.531 ' HA ' ' CZ ' ' A' ' 13' ' ' ARG . 8.9 mmp_? -67.93 78.53 0.22 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.28 0.562 . . . . 0.0 110.487 -179.742 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 163.9 -22.86 0.17 Allowed Glycine 0 N--CA 1.443 -0.891 0 CA-C-N 115.067 -0.97 . . . . 0.0 111.204 -178.65 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.612 ' HA ' ' HA ' ' A' ' 30' ' ' PRO . 46.5 mt-10 -92.56 139.92 30.09 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-O 121.548 0.689 . . . . 0.0 111.571 -179.456 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -98.94 131.8 44.74 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-N 114.8 -1.091 . . . . 0.0 109.061 178.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.554 HG22 ' SG ' ' A' ' 11' ' ' CYS . 21.2 t -62.16 123.59 15.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 121.147 0.499 . . . . 0.0 110.851 -179.707 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.545 ' HD2' ' SG ' ' A' ' 29' ' ' CYS . 41.6 ttt85 -97.03 -36.71 10.42 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.409 -0.814 . . . . 0.0 108.864 179.096 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 177.64 -159.14 24.87 Favored Glycine 0 N--CA 1.447 -0.617 0 CA-C-N 115.192 -0.913 . . . . 0.0 112.531 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 17.0 p -105.52 141.96 36.09 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 120.658 0.266 . . . . 0.0 111.355 -179.715 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.468 ' SG ' ' HB2' ' A' ' 27' ' ' TYR . 61.9 m -100.56 -37.61 8.72 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.183 0.516 . . . . 0.0 110.812 179.281 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 174.89 -157.87 25.3 Favored Glycine 0 N--CA 1.444 -0.786 0 C-N-CA 120.752 -0.737 . . . . 0.0 111.825 179.757 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.507 ' O ' ' HB2' ' A' ' 24' ' ' ARG . 57.6 mt -62.12 99.83 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 120.661 0.267 . . . . 0.0 110.849 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.76 ' HA ' ' HE ' ' A' ' 24' ' ' ARG . 1.6 mmp_? 75.58 20.23 1.93 Allowed 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 115.265 -0.879 . . . . 0.0 112.903 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 43.8 m-85 -124.19 132.84 53.64 Favored 'General case' 0 CA--C 1.512 -0.502 0 N-CA-C 109.438 -0.579 . . . . 0.0 109.438 177.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 80.6 mt -117.39 142.69 46.81 Favored 'General case' 0 C--N 1.313 -1.001 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.459 -179.186 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.468 ' HB2' ' SG ' ' A' ' 21' ' ' CYS . 3.4 t80 -94.26 110.62 22.35 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 107.583 -1.266 . . . . 0.0 107.583 178.865 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 4.4 m -117.69 143.43 46.2 Favored 'General case' 0 C--N 1.313 -0.984 0 N-CA-C 112.26 0.467 . . . . 0.0 112.26 -177.43 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.545 ' SG ' ' HD2' ' A' ' 18' ' ' ARG . 17.1 m -116.88 121.95 32.09 Favored Pre-proline 0 C--N 1.321 -0.653 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.366 178.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.612 ' HA ' ' HA ' ' A' ' 15' ' ' GLU . 50.7 Cg_exo . . . . . 0 C--O 1.233 0.243 0 C-N-CA 122.733 2.289 . . . . 0.0 112.235 -179.794 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 . . . . . 0 N--CA 1.462 0.148 0 CA-C-O 121.005 0.431 . . . . 0.0 111.202 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 89.2 m -86.42 131.16 34.26 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.504 -0.771 . . . . 0.0 109.239 177.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.442 ' HE ' ' CD ' ' A' ' 15' ' ' GLU . 71.2 mtt-85 -134.27 148.66 50.84 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-O 121.116 0.484 . . . . 0.0 111.143 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.466 ' HA ' ' O ' ' A' ' 24' ' ' ARG . 54.1 mtmt -79.68 126.14 30.55 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.347 -0.842 . . . . 0.0 112.225 -178.757 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 76.56 -48.32 2.56 Favored Glycine 0 N--CA 1.451 -0.361 0 N-CA-C 115.396 0.918 . . . . 0.0 115.396 177.608 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 26.4 p-80 -167.45 162.5 14.58 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 117.709 0.755 . . . . 0.0 112.672 -178.445 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.586 ' HB3' ' HB2' ' A' ' 15' ' ' GLU . 3.5 m -76.3 165.53 24.74 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 114.315 -1.312 . . . . 0.0 110.669 179.061 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.524 ' HG2' ' OE1' ' A' ' 15' ' ' GLU . 9.9 ptmm? -89.56 156.73 18.42 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 107.8 -1.185 . . . . 0.0 107.8 176.806 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 39.7 mmt180 -52.01 114.16 1.23 Allowed 'General case' 0 C--O 1.236 0.388 0 CA-C-O 120.894 0.378 . . . . 0.0 110.197 -179.707 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 127.36 -31.72 3.74 Favored Glycine 0 N--CA 1.446 -0.664 0 C-N-CA 120.85 -0.69 . . . . 0.0 112.657 -178.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.586 ' HB2' ' HB3' ' A' ' 11' ' ' CYS . 63.4 mt-10 -90.22 142.81 27.35 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-O 121.477 0.656 . . . . 0.0 111.715 -179.269 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.47 ' HD2' ' O ' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -105.83 137.59 43.46 Favored 'General case' 0 C--N 1.313 -1.006 0 CA-C-N 114.793 -1.094 . . . . 0.0 108.468 178.397 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.42 HG22 ' SG ' ' A' ' 11' ' ' CYS . 27.7 t -65.01 123.93 18.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-O 121.164 0.507 . . . . 0.0 111.027 -178.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.435 ' HD3' ' O ' ' A' ' 18' ' ' ARG . 4.2 tmt_? -98.48 -35.33 10.3 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 108.517 -0.92 . . . . 0.0 108.517 179.119 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 173.19 -158.5 28.18 Favored Glycine 0 N--CA 1.448 -0.547 0 CA-C-N 115.285 -0.871 . . . . 0.0 112.342 179.622 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 7.9 p -106.27 143.5 34.3 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-O 120.599 0.238 . . . . 0.0 110.948 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 58.4 m -98.21 -38.03 9.45 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.522 0.677 . . . . 0.0 110.347 179.513 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 171.24 -157.12 27.6 Favored Glycine 0 N--CA 1.441 -1.019 0 CA-C-N 115.194 -0.912 . . . . 0.0 111.063 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.467 ' O ' ' HB2' ' A' ' 24' ' ' ARG . 49.9 mm -61.87 110.28 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-O 120.575 0.226 . . . . 0.0 110.477 179.606 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.467 ' HB2' ' O ' ' A' ' 23' ' ' ILE . 19.4 mmt85 72.28 14.92 5.42 Favored 'General case' 0 N--CA 1.465 0.291 0 N-CA-C 113.291 0.849 . . . . 0.0 113.291 179.608 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 19.5 m-85 -127.49 132.57 49.96 Favored 'General case' 0 CA--C 1.511 -0.525 0 CA-C-N 118.704 0.684 . . . . 0.0 110.954 179.081 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 6.1 mp -116.41 143.19 45.88 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 115.069 -0.969 . . . . 0.0 109.368 179.345 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -95.44 113.57 25.25 Favored 'General case' 0 C--N 1.314 -0.952 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 179.766 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.4 m -116.9 145.11 43.8 Favored 'General case' 0 C--N 1.314 -0.948 0 CA-C-O 121.228 0.537 . . . . 0.0 112.014 -178.608 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 8.8 m -130.53 130.08 22.88 Favored Pre-proline 0 C--N 1.321 -0.633 0 CA-C-N 115.395 -0.82 . . . . 0.0 108.983 179.055 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.543 ' HA ' ' HA ' ' A' ' 15' ' ' GLU . 82.8 Cg_exo . . . . . 0 C--O 1.235 0.348 0 C-N-CA 123.479 2.786 . . . . 0.0 113.615 -179.667 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 47.0 m-85 . . . . . 0 N--CA 1.452 -0.352 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 96.1 m -79.19 128.32 33.15 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.149 0.5 . . . . 0.0 109.892 178.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.474 ' HG3' ' HA ' ' A' ' 11' ' ' CYS . 32.4 mmt180 -123.63 143.09 50.45 Favored 'General case' 0 C--N 1.311 -1.077 0 CA-C-N 115.438 -0.801 . . . . 0.0 109.663 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 20.8 ptmt -88.09 123.54 32.87 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-O 121.15 0.5 . . . . 0.0 111.699 -179.239 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 78.28 -45.0 2.5 Favored Glycine 0 N--CA 1.452 -0.272 0 CA-C-N 115.732 -0.667 . . . . 0.0 114.053 178.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -167.23 156.6 10.45 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.833 0.349 . . . . 0.0 111.321 -179.424 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.671 ' SG ' HG22 ' A' ' 17' ' ' VAL . 4.6 m -69.21 161.46 29.15 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.257 -0.883 . . . . 0.0 111.563 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.425 ' HE2' ' HB3' ' A' ' 12' ' ' LYS . 2.7 tmmm? -75.71 143.06 42.29 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 107.173 -1.417 . . . . 0.0 107.173 177.505 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.406 ' N ' ' HD2' ' A' ' 12' ' ' LYS . 26.8 mmm180 -48.42 105.34 0.07 Allowed 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 120.857 0.36 . . . . 0.0 111.274 -179.162 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 126.21 -23.63 5.77 Favored Glycine 0 N--CA 1.448 -0.559 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.344 -179.151 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.577 ' HA ' ' HA ' ' A' ' 30' ' ' PRO . 78.8 mt-10 -90.33 131.52 36.08 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-O 121.35 0.595 . . . . 0.0 111.11 -179.504 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 92.0 mtt180 -92.32 136.67 33.01 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.148 -0.933 . . . . 0.0 110.701 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.671 HG22 ' SG ' ' A' ' 11' ' ' CYS . 13.0 t -67.79 123.07 20.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-O 121.245 0.545 . . . . 0.0 110.846 179.756 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.413 ' NE ' ' HA ' ' A' ' 18' ' ' ARG . 7.7 tpm_? -102.97 -33.24 9.37 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.385 179.067 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -176.13 -159.37 21.71 Favored Glycine 0 N--CA 1.447 -0.616 0 CA-C-N 115.572 -0.74 . . . . 0.0 112.207 179.557 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 11.7 p -111.91 142.88 43.75 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 120.717 0.294 . . . . 0.0 111.181 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 42.7 m -97.67 -38.81 9.37 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.243 0.544 . . . . 0.0 110.725 179.404 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 171.92 -151.04 13.99 Favored Glycine 0 N--CA 1.444 -0.807 0 C-N-CA 120.716 -0.755 . . . . 0.0 112.054 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.638 ' H ' HD12 ' A' ' 23' ' ' ILE . 4.3 mp -61.55 103.64 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 120.892 0.377 . . . . 0.0 110.68 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.485 ' HA ' ' NE ' ' A' ' 24' ' ' ARG . 0.0 OUTLIER 67.96 22.93 8.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.275 -0.875 . . . . 0.0 112.133 -179.905 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 51.6 m-85 -124.15 132.11 53.6 Favored 'General case' 0 CA--C 1.512 -0.484 0 N-CA-C 109.727 -0.472 . . . . 0.0 109.727 178.793 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.8 mp -118.42 140.51 49.74 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.495 -179.452 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -91.33 110.3 21.59 Favored 'General case' 0 C--N 1.317 -0.813 0 N-CA-C 107.702 -1.222 . . . . 0.0 107.702 179.09 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 4.8 m -120.97 136.55 54.95 Favored 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 113.179 0.807 . . . . 0.0 113.179 -176.792 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.424 ' HA ' ' HD3' ' A' ' 30' ' ' PRO . 1.6 m -105.42 126.82 29.91 Favored Pre-proline 0 C--N 1.323 -0.557 0 CA-C-N 115.657 -0.702 . . . . 0.0 110.406 177.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.577 ' HA ' ' HA ' ' A' ' 15' ' ' GLU . 37.8 Cg_exo . . . . . 0 C--O 1.234 0.3 0 C-N-CA 123.218 2.612 . . . . 0.0 113.161 -179.33 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 80.8 m-85 . . . . . 0 C--O 1.233 0.221 0 CA-C-O 120.751 0.31 . . . . 0.0 111.074 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 86.7 m -79.83 132.3 36.08 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 177.728 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.468 ' HG3' ' HA ' ' A' ' 11' ' ' CYS . 33.8 mmt180 -125.89 137.88 53.76 Favored 'General case' 0 C--N 1.313 -0.994 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 179.739 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.714 ' HD3' ' H ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -88.53 127.95 35.55 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-O 121.245 0.545 . . . . 0.0 110.587 -179.826 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 87.4 -52.2 4.27 Favored Glycine 0 N--CA 1.45 -0.398 0 CA-C-N 115.319 -0.855 . . . . 0.0 112.958 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -174.75 157.78 2.54 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.992 0.425 . . . . 0.0 111.096 179.539 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.644 ' SG ' HG22 ' A' ' 17' ' ' VAL . 3.2 m -69.41 164.92 21.94 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 114.973 -1.012 . . . . 0.0 112.03 -179.323 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 50.8 tptt -71.4 161.4 31.12 Favored 'General case' 0 N--CA 1.451 -0.396 0 N-CA-C 108.456 -0.942 . . . . 0.0 108.456 178.022 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 18.9 mmt85 -65.87 69.97 0.05 Allowed 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 121.104 0.478 . . . . 0.0 111.589 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 163.19 -18.11 0.14 Allowed Glycine 0 N--CA 1.441 -0.995 0 CA-C-N 115.977 -0.556 . . . . 0.0 112.325 -179.4 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.621 ' HB2' ' HB3' ' A' ' 11' ' ' CYS . 60.0 mt-10 -88.33 132.34 34.45 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-O 121.709 0.766 . . . . 0.0 111.821 -179.2 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 8.8 tpt180 -89.77 126.39 35.65 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-N 114.541 -1.209 . . . . 0.0 109.791 178.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.644 HG22 ' SG ' ' A' ' 11' ' ' CYS . 17.0 t -62.71 120.59 9.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 121.081 0.467 . . . . 0.0 110.863 -179.867 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.592 ' HD2' ' SG ' ' A' ' 29' ' ' CYS . 49.5 ttt85 -96.78 -35.45 10.96 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.417 -0.81 . . . . 0.0 109.328 179.34 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 177.82 -156.29 19.34 Favored Glycine 0 N--CA 1.448 -0.562 0 CA-C-N 115.292 -0.867 . . . . 0.0 112.458 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 12.3 p -109.62 142.53 40.62 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 120.702 0.287 . . . . 0.0 111.405 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 54.1 m -98.79 -38.39 9.08 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.363 0.602 . . . . 0.0 110.491 179.331 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 175.64 -157.39 23.71 Favored Glycine 0 N--CA 1.443 -0.889 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.612 179.705 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.516 ' O ' ' HB2' ' A' ' 24' ' ' ARG . 48.9 mm -63.3 103.15 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 120.638 0.256 . . . . 0.0 110.8 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.516 ' HB2' ' O ' ' A' ' 23' ' ' ILE . 0.0 OUTLIER 77.09 14.74 1.92 Allowed 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 115.354 -0.839 . . . . 0.0 112.616 -179.949 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 36.8 m-85 -123.51 132.17 53.84 Favored 'General case' 0 CA--C 1.513 -0.454 0 C-N-CA 120.415 -0.514 . . . . 0.0 109.631 178.649 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.0 mp -116.78 141.8 47.75 Favored 'General case' 0 C--N 1.312 -1.053 0 CA-C-N 115.5 -0.773 . . . . 0.0 109.936 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -90.13 111.88 23.17 Favored 'General case' 0 C--N 1.317 -0.837 0 N-CA-C 107.793 -1.188 . . . . 0.0 107.793 178.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 4.6 m -119.44 140.62 50.14 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-O 121.163 0.506 . . . . 0.0 112.184 -177.356 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.592 ' SG ' ' HD2' ' A' ' 18' ' ' ARG . 21.0 m -112.51 120.67 40.71 Favored Pre-proline 0 C--N 1.322 -0.625 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.246 178.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.587 ' HA ' ' HA ' ' A' ' 15' ' ' GLU . 31.3 Cg_exo . . . . . 0 N--CA 1.464 -0.219 0 C-N-CA 122.649 2.232 . . . . 0.0 112.059 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 . . . . . 0 N--CA 1.455 -0.192 0 CA-C-O 120.992 0.425 . . . . 0.0 111.367 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 84.6 m -84.78 133.13 34.36 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.237 177.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.414 ' HD2' ' HA ' ' A' ' 11' ' ' CYS . 60.1 mtt-85 -140.34 144.37 36.26 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-O 121.13 0.491 . . . . 0.0 110.458 179.842 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.413 ' HA ' ' O ' ' A' ' 24' ' ' ARG . 60.5 pttt -86.1 131.04 34.34 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.723 -179.094 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 81.49 -49.61 4.06 Favored Glycine 0 N--CA 1.451 -0.355 0 CA-C-N 115.456 -0.793 . . . . 0.0 114.507 178.679 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 26.4 p-80 -166.57 159.22 14.06 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.377 0.608 . . . . 0.0 112.208 -179.14 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.483 ' SG ' HG22 ' A' ' 17' ' ' VAL . 9.5 m -78.4 169.25 18.56 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 114.423 -1.262 . . . . 0.0 111.144 179.47 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 20.8 ttpp -90.73 146.22 24.17 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 107.899 -1.149 . . . . 0.0 107.899 177.096 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 38.1 tpt85 -46.05 105.29 0.06 Allowed 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 121.102 0.477 . . . . 0.0 111.231 -179.187 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 133.54 -34.36 2.43 Favored Glycine 0 N--CA 1.448 -0.525 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.939 -179.113 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.557 ' HA ' ' HA ' ' A' ' 30' ' ' PRO . 6.3 mt-10 -93.55 136.6 33.66 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.957 0.408 . . . . 0.0 110.68 -179.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 34.6 tpt85 -111.96 134.94 53.2 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.221 -0.445 . . . . 0.0 109.801 179.536 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.483 HG22 ' SG ' ' A' ' 11' ' ' CYS . 21.6 t -55.52 127.34 14.27 Favored 'Isoleucine or valine' 0 C--O 1.236 0.373 0 CA-C-O 121.043 0.449 . . . . 0.0 111.037 -179.401 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.653 ' HA ' ' HE ' ' A' ' 18' ' ' ARG . 3.5 mmp_? -117.84 -28.23 6.0 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.949 179.447 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -166.87 -162.17 17.83 Favored Glycine 0 N--CA 1.445 -0.708 0 C-N-CA 120.345 -0.931 . . . . 0.0 112.137 179.19 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 11.8 p -116.49 143.28 45.78 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 110.442 -0.207 . . . . 0.0 110.442 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.8 t -94.21 -41.06 9.68 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.782 0.801 . . . . 0.0 109.565 179.644 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 174.46 -155.6 21.52 Favored Glycine 0 N--CA 1.439 -1.162 0 CA-C-N 114.775 -1.102 . . . . 0.0 111.125 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.614 ' H ' HD12 ' A' ' 23' ' ' ILE . 4.3 mp -61.1 109.98 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-O 120.708 0.29 . . . . 0.0 110.686 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.467 ' HA ' ' NE ' ' A' ' 24' ' ' ARG . 14.1 mmp_? 72.47 14.94 5.21 Favored 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 113.645 0.979 . . . . 0.0 113.645 179.37 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 40.6 m-85 -127.05 132.76 50.61 Favored 'General case' 0 CA--C 1.512 -0.499 0 CA-C-N 118.826 0.739 . . . . 0.0 110.535 178.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.3 mp -110.48 143.93 40.05 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-N 115.084 -0.962 . . . . 0.0 109.653 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -95.15 110.06 22.07 Favored 'General case' 0 C--N 1.314 -0.967 0 N-CA-C 108.109 -1.071 . . . . 0.0 108.109 179.295 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 13.5 m -108.25 139.04 43.53 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 115.576 -0.738 . . . . 0.0 112.239 -177.522 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.535 ' SG ' ' HG3' ' A' ' 18' ' ' ARG . 59.0 m -122.76 133.95 24.73 Favored Pre-proline 0 C--N 1.32 -0.708 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 178.303 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.557 ' HA ' ' HA ' ' A' ' 15' ' ' GLU . 49.8 Cg_exo . . . . . 0 N--CA 1.465 -0.176 0 C-N-CA 122.459 2.106 . . . . 0.0 111.987 -179.58 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 39.8 m-85 . . . . . 0 N--CA 1.452 -0.348 0 N-CA-C 109.43 -0.581 . . . . 0.0 109.43 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 93.6 m -84.44 128.32 34.52 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 121.099 0.476 . . . . 0.0 110.325 179.389 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.421 ' HE ' ' CD ' ' A' ' 15' ' ' GLU . 61.8 mtt-85 -137.11 140.78 42.15 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.112 179.555 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 25.3 pttm -84.16 132.95 34.63 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.444 -179.359 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 88.23 -52.73 4.11 Favored Glycine 0 N--CA 1.449 -0.475 0 CA-C-N 115.681 -0.69 . . . . 0.0 114.061 179.092 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . 0.426 ' HA ' HD12 ' A' ' 26' ' ' LEU . 0.5 OUTLIER -173.28 163.44 4.57 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.122 0.487 . . . . 0.0 112.184 -179.417 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.612 ' SG ' HG22 ' A' ' 17' ' ' VAL . 3.7 m -72.14 169.47 16.01 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 114.857 -1.065 . . . . 0.0 111.171 179.625 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 50.2 tptt -74.07 161.02 30.46 Favored 'General case' 0 N--CA 1.45 -0.463 0 N-CA-C 108.174 -1.047 . . . . 0.0 108.174 177.508 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 20.4 mmm180 -66.0 70.13 0.06 Allowed 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 120.89 0.376 . . . . 0.0 111.82 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 160.63 -18.96 0.21 Allowed Glycine 0 N--CA 1.444 -0.81 0 CA-C-N 116.024 -0.535 . . . . 0.0 112.011 -179.5 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.586 ' HA ' ' HA ' ' A' ' 30' ' ' PRO . 93.6 mt-10 -84.53 141.73 30.52 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-O 121.431 0.634 . . . . 0.0 111.914 -179.264 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 36.0 mmt180 -101.62 132.73 47.14 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.238 -0.892 . . . . 0.0 109.273 178.737 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.612 HG22 ' SG ' ' A' ' 11' ' ' CYS . 17.7 t -62.98 124.85 18.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 121.075 0.464 . . . . 0.0 110.934 -179.257 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 28.7 tpt180 -101.46 -33.46 9.96 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.066 179.16 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 176.17 -160.33 28.12 Favored Glycine 0 N--CA 1.444 -0.801 0 CA-C-N 115.223 -0.898 . . . . 0.0 112.068 179.618 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 15.8 p -104.89 142.21 35.16 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-O 120.461 0.172 . . . . 0.0 110.962 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.416 ' HB3' ' CB ' ' A' ' 25' ' ' PHE . 7.9 t -90.5 -42.02 11.08 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 122.089 0.947 . . . . 0.0 108.93 178.856 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 173.0 -157.46 26.59 Favored Glycine 0 N--CA 1.438 -1.201 0 CA-C-N 114.192 -1.367 . . . . 0.0 110.558 179.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.434 ' O ' ' HB2' ' A' ' 24' ' ' ARG . 61.0 mt -61.27 109.96 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-O 120.576 0.227 . . . . 0.0 110.882 179.802 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.434 ' HB2' ' O ' ' A' ' 23' ' ' ILE . 68.3 mtp85 72.71 18.62 4.18 Favored 'General case' 0 N--CA 1.465 0.316 0 N-CA-C 113.436 0.902 . . . . 0.0 113.436 179.191 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.416 ' CB ' ' HB3' ' A' ' 21' ' ' CYS . 62.6 m-85 -132.13 132.35 43.17 Favored 'General case' 0 CA--C 1.513 -0.466 0 CA-C-N 118.611 0.641 . . . . 0.0 110.236 178.652 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.426 HD12 ' HA ' ' A' ' 10' ' ' HIS . 86.7 mt -109.5 143.53 39.01 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-N 115.206 -0.906 . . . . 0.0 110.022 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -101.12 107.92 19.46 Favored 'General case' 0 C--N 1.315 -0.909 0 N-CA-C 107.816 -1.179 . . . . 0.0 107.816 179.173 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 6.4 m -120.06 139.36 52.65 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 113.281 0.845 . . . . 0.0 113.281 -176.793 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.405 ' HA ' ' HD3' ' A' ' 30' ' ' PRO . 1.4 m -105.98 125.74 32.39 Favored Pre-proline 0 C--N 1.326 -0.415 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.33 177.867 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.586 ' HA ' ' HA ' ' A' ' 15' ' ' GLU . 34.3 Cg_exo . . . . . 0 C--O 1.235 0.34 0 C-N-CA 122.761 2.307 . . . . 0.0 111.853 179.697 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 29.6 m-85 . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.82 0.343 . . . . 0.0 111.141 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 68.5 m -101.35 136.0 41.91 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 177.705 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.535 ' HD2' ' HA ' ' A' ' 11' ' ' CYS . 0.0 OUTLIER -132.63 156.0 47.72 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.725 179.705 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.461 ' HG2' ' CZ ' ' A' ' 25' ' ' PHE . 59.8 mttp -81.3 129.37 34.58 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.501 -179.514 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 74.56 -47.94 1.83 Allowed Glycine 0 N--CA 1.452 -0.258 0 N-CA-C 115.379 0.912 . . . . 0.0 115.379 177.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . 0.66 ' HA ' HD12 ' A' ' 26' ' ' LEU . 0.5 OUTLIER -167.49 166.4 14.29 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 117.507 0.654 . . . . 0.0 112.481 -178.395 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.665 ' SG ' HG22 ' A' ' 17' ' ' VAL . 3.2 m -75.86 161.54 28.9 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.24 -0.891 . . . . 0.0 111.194 179.653 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.648 ' HB3' ' OE1' ' A' ' 15' ' ' GLU . 0.0 OUTLIER -84.82 148.38 26.34 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 107.402 -1.333 . . . . 0.0 107.402 176.958 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 24.3 mmt85 -46.63 111.33 0.37 Allowed 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 120.948 0.404 . . . . 0.0 111.63 -178.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 123.86 -26.3 5.94 Favored Glycine 0 N--CA 1.447 -0.591 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.719 -179.593 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.648 ' OE1' ' HB3' ' A' ' 12' ' ' LYS . 26.7 mt-10 -96.11 132.05 41.9 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-O 121.5 0.667 . . . . 0.0 111.469 -179.093 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 4.3 tpm_? -95.5 136.36 35.98 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.14 -0.936 . . . . 0.0 110.25 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.665 HG22 ' SG ' ' A' ' 11' ' ' CYS . 17.2 t -63.86 123.51 16.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 120.696 0.284 . . . . 0.0 110.608 179.62 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 4.6 tmt_? -96.54 -33.93 11.64 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 108.729 -0.841 . . . . 0.0 108.729 179.047 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 173.72 176.6 42.29 Favored Glycine 0 N--CA 1.443 -0.841 0 CA-C-N 115.17 -0.923 . . . . 0.0 111.631 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 8.2 p -76.8 141.32 40.78 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 116.597 0.198 . . . . 0.0 110.888 179.71 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.446 ' HB3' ' CB ' ' A' ' 25' ' ' PHE . 5.9 t -96.89 -43.75 7.34 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.686 0.755 . . . . 0.0 109.326 179.346 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 176.32 -157.86 23.86 Favored Glycine 0 N--CA 1.442 -0.909 0 CA-C-N 114.8 -1.091 . . . . 0.0 111.221 179.722 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.475 ' O ' ' HB2' ' A' ' 24' ' ' ARG . 48.5 mm -62.36 103.22 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-O 120.603 0.24 . . . . 0.0 110.875 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.475 ' HB2' ' O ' ' A' ' 23' ' ' ILE . 10.1 mpt_? 74.14 22.91 2.21 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 115.39 -0.823 . . . . 0.0 112.506 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.461 ' CZ ' ' HG2' ' A' ' 8' ' ' LYS . 14.8 m-85 -130.76 133.33 45.91 Favored 'General case' 0 CA--C 1.51 -0.592 0 C-N-CA 120.463 -0.495 . . . . 0.0 110.246 179.052 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.66 HD12 ' HA ' ' A' ' 10' ' ' HIS . 85.5 mt -116.76 134.48 54.74 Favored 'General case' 0 C--N 1.314 -0.966 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.131 179.393 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 13.7 t80 -91.16 111.75 23.35 Favored 'General case' 0 C--N 1.312 -1.051 0 N-CA-C 107.443 -1.317 . . . . 0.0 107.443 178.697 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 4.7 m -121.16 145.01 48.27 Favored 'General case' 0 C--N 1.314 -0.971 0 N-CA-C 112.556 0.576 . . . . 0.0 112.556 -177.385 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.432 ' HA ' ' HD3' ' A' ' 30' ' ' PRO . 35.0 m -113.23 127.87 26.32 Favored Pre-proline 0 C--N 1.323 -0.549 0 CA-C-N 115.141 -0.936 . . . . 0.0 109.405 178.508 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.596 ' HA ' ' HA ' ' A' ' 15' ' ' GLU . 37.6 Cg_exo . . . . . 0 C--O 1.235 0.328 0 C-N-CA 122.604 2.202 . . . . 0.0 111.949 -179.708 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 46.2 m-85 . . . . . 0 N--CA 1.451 -0.385 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 64.9 m -80.03 129.02 34.17 Favored 'General case' 0 C--N 1.317 -0.837 0 N-CA-C 109.759 -0.459 . . . . 0.0 109.759 178.471 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.415 ' HD2' ' HA ' ' A' ' 11' ' ' CYS . 27.9 mtt-85 -133.53 139.59 46.7 Favored 'General case' 0 C--N 1.312 -1.044 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.365 179.799 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 12.1 ptmm? -82.63 127.26 33.21 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.412 -0.813 . . . . 0.0 112.234 -178.729 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 86.57 -51.03 4.3 Favored Glycine 0 N--CA 1.451 -0.344 0 CA-C-N 115.612 -0.722 . . . . 0.0 113.592 178.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -174.8 164.63 3.56 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.879 0.371 . . . . 0.0 111.141 -179.753 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.616 ' SG ' HG22 ' A' ' 17' ' ' VAL . 3.4 m -70.16 160.74 31.54 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.435 -0.802 . . . . 0.0 111.019 179.696 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.498 ' HB3' ' OE1' ' A' ' 15' ' ' GLU . 20.3 ttpp -84.24 152.76 24.0 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 107.872 -1.159 . . . . 0.0 107.872 177.63 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 26.0 mmm180 -54.09 101.87 0.05 Allowed 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 140.01 -34.21 2.03 Favored Glycine 0 N--CA 1.445 -0.739 0 C-N-CA 120.99 -0.624 . . . . 0.0 112.117 -178.419 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.584 ' HA ' ' HA ' ' A' ' 30' ' ' PRO . 3.0 mp0 -93.26 135.88 34.06 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-O 121.297 0.57 . . . . 0.0 111.953 -179.626 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 58.1 mtp85 -96.87 138.77 33.9 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.126 -0.943 . . . . 0.0 109.982 178.651 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.616 HG22 ' SG ' ' A' ' 11' ' ' CYS . 13.9 t -63.97 129.09 27.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 121.161 0.505 . . . . 0.0 111.037 -179.771 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 31.4 tpt180 -111.55 -31.55 6.97 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.445 -0.798 . . . . 0.0 109.505 179.19 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -179.78 -159.58 23.89 Favored Glycine 0 N--CA 1.447 -0.627 0 CA-C-N 115.586 -0.734 . . . . 0.0 112.199 179.666 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 11.6 p -112.76 143.15 44.48 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 120.6 0.238 . . . . 0.0 111.043 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 56.1 m -96.29 -37.4 10.53 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.455 0.645 . . . . 0.0 110.448 179.422 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 171.56 -157.37 27.72 Favored Glycine 0 N--CA 1.441 -0.994 0 CA-C-N 115.261 -0.881 . . . . 0.0 111.305 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.608 ' H ' HD12 ' A' ' 23' ' ' ILE . 4.3 mp -62.67 108.43 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 N-CA-C 110.163 -0.31 . . . . 0.0 110.163 179.736 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.473 ' HB2' ' O ' ' A' ' 23' ' ' ILE . 20.2 mmt85 72.67 17.7 4.44 Favored 'General case' 0 N--CA 1.464 0.274 0 O-C-N 124.041 0.838 . . . . 0.0 113.204 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 44.1 m-85 -129.17 133.09 47.44 Favored 'General case' 0 CA--C 1.512 -0.482 0 CA-C-N 118.32 0.509 . . . . 0.0 109.962 178.454 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.2 mp -117.36 143.14 46.27 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.326 -179.419 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -94.16 110.47 22.19 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 179.297 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.3 m -119.02 135.12 54.79 Favored 'General case' 0 C--N 1.315 -0.893 0 N-CA-C 112.874 0.694 . . . . 0.0 112.874 -177.216 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.456 ' HA ' ' HD3' ' A' ' 30' ' ' PRO . 1.5 m -105.58 131.11 22.03 Favored Pre-proline 0 C--N 1.321 -0.655 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.315 177.671 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.584 ' HA ' ' HA ' ' A' ' 15' ' ' GLU . 34.4 Cg_exo . . . . . 0 C--O 1.231 0.151 0 C-N-CA 122.99 2.46 . . . . 0.0 112.124 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 68.9 m-85 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.971 0.415 . . . . 0.0 111.468 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 90.8 m -79.83 131.47 35.89 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.225 -0.658 . . . . 0.0 109.225 177.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.538 ' HG3' ' HA ' ' A' ' 11' ' ' CYS . 35.0 mmt180 -124.82 142.11 51.66 Favored 'General case' 0 C--N 1.312 -1.038 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 25.6 pttm -86.46 126.14 34.21 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 121.286 0.565 . . . . 0.0 111.274 -179.353 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 78.29 -47.86 3.0 Favored Glycine 0 N--CA 1.451 -0.325 0 CA-C-N 115.499 -0.773 . . . . 0.0 113.856 179.415 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 30.1 p-80 -167.16 156.85 10.79 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.874 0.369 . . . . 0.0 111.127 -179.765 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.595 ' SG ' HG22 ' A' ' 17' ' ' VAL . 3.6 m -70.61 163.3 27.29 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.051 -0.977 . . . . 0.0 111.318 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 23.8 tptm -72.36 147.59 46.12 Favored 'General case' 0 N--CA 1.447 -0.607 0 N-CA-C 107.368 -1.345 . . . . 0.0 107.368 177.006 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 29.8 tpt180 -56.14 92.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.955 0.407 . . . . 0.0 110.402 -179.518 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 146.12 -27.56 1.71 Allowed Glycine 0 N--CA 1.443 -0.861 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.931 -178.639 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.59 ' HB2' ' HB3' ' A' ' 11' ' ' CYS . 59.7 mt-10 -84.69 135.19 34.26 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-O 121.626 0.727 . . . . 0.0 111.686 -179.484 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.51 126.81 37.76 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-N 114.747 -1.115 . . . . 0.0 109.029 179.149 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.595 HG22 ' SG ' ' A' ' 11' ' ' CYS . 17.8 t -59.94 123.48 12.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 121.048 0.452 . . . . 0.0 111.155 -179.639 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.448 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 43.7 tpt85 -101.46 -33.05 10.12 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.617 -0.72 . . . . 0.0 109.718 179.495 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 175.03 -155.02 19.77 Favored Glycine 0 N--CA 1.447 -0.614 0 CA-C-N 115.49 -0.777 . . . . 0.0 112.327 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.414 ' HA ' ' HA ' ' A' ' 26' ' ' LEU . 10.7 p -111.81 143.22 43.1 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 120.607 0.241 . . . . 0.0 111.08 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 51.4 m -98.34 -38.34 9.28 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.364 0.602 . . . . 0.0 110.369 179.337 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 172.57 -155.96 24.2 Favored Glycine 0 N--CA 1.44 -1.035 0 CA-C-N 115.306 -0.861 . . . . 0.0 111.445 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.469 ' O ' ' HB2' ' A' ' 24' ' ' ARG . 62.2 mt -61.38 108.01 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-O 120.66 0.267 . . . . 0.0 110.765 179.771 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.48 ' HA ' ' NE ' ' A' ' 24' ' ' ARG . 13.5 mmp_? 72.68 14.02 5.14 Favored 'General case' 0 N--CA 1.466 0.361 0 N-CA-C 113.321 0.86 . . . . 0.0 113.321 179.561 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 40.1 m-85 -127.48 134.04 49.85 Favored 'General case' 0 CA--C 1.513 -0.463 0 C-N-CA 120.076 -0.65 . . . . 0.0 110.342 178.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.414 ' HA ' ' HA ' ' A' ' 20' ' ' THR . 5.1 mp -117.5 143.68 45.82 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 115.198 -0.91 . . . . 0.0 109.684 -179.864 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -89.96 114.37 26.19 Favored 'General case' 0 C--N 1.316 -0.873 0 N-CA-C 108.01 -1.108 . . . . 0.0 108.01 179.208 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.8 m -120.56 139.48 52.88 Favored 'General case' 0 C--N 1.312 -1.05 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.936 -177.672 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.448 ' SG ' ' HB2' ' A' ' 18' ' ' ARG . 21.6 m -111.62 122.22 37.88 Favored Pre-proline 0 C--N 1.32 -0.687 0 CA-C-N 115.745 -0.661 . . . . 0.0 109.703 179.267 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.549 ' HA ' ' HA ' ' A' ' 15' ' ' GLU . 31.3 Cg_exo . . . . . 0 N--CA 1.465 -0.153 0 C-N-CA 122.434 2.09 . . . . 0.0 111.379 179.773 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 17.1 m-85 . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 69.9 m -84.02 126.5 33.11 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.009 0.433 . . . . 0.0 110.247 178.701 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.612 ' HD2' ' HA ' ' A' ' 11' ' ' CYS . 43.3 mtt-85 -136.11 143.2 44.43 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.55 179.115 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.51 ' HA ' ' O ' ' A' ' 24' ' ' ARG . 18.8 ptpt -82.87 131.48 35.19 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.817 -0.629 . . . . 0.0 112.378 -178.583 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 76.18 -50.22 2.7 Favored Glycine 0 C--O 1.227 -0.308 0 CA-C-N 115.35 -0.841 . . . . 0.0 114.271 178.642 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 26.1 p-80 -169.31 160.9 9.76 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.094 0.473 . . . . 0.0 111.034 -179.276 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.612 ' HA ' ' HD2' ' A' ' 7' ' ' ARG . 90.3 m -100.87 -176.86 3.29 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 114.977 -1.01 . . . . 0.0 110.441 179.441 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.406 ' HG2' ' CD ' ' A' ' 15' ' ' GLU . 7.7 ptpp? -78.29 163.1 26.02 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.755 -0.378 . . . . 0.0 110.288 -179.11 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.763 ' HD2' ' H ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -69.15 53.86 0.1 Allowed 'General case' 0 N--CA 1.471 0.619 0 CA-C-O 122.09 0.948 . . . . 0.0 110.952 179.48 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -166.24 -30.36 0.02 OUTLIER Glycine 0 N--CA 1.44 -1.035 0 CA-C-N 114.689 -1.141 . . . . 0.0 110.836 -179.706 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.566 ' HB2' ' HB3' ' A' ' 11' ' ' CYS . 29.7 mt-10 -87.86 125.49 34.51 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-O 121.342 0.591 . . . . 0.0 109.713 179.106 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.5 ptp180 -97.64 131.98 43.7 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-N 115.221 -0.9 . . . . 0.0 110.023 -178.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 39.4 t -64.23 122.61 15.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-O 121.017 0.437 . . . . 0.0 110.88 -179.333 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 62.7 ttt-85 -105.4 -28.7 10.7 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.663 179.586 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -172.52 -169.83 35.62 Favored Glycine 0 N--CA 1.445 -0.735 0 C-N-CA 120.614 -0.803 . . . . 0.0 112.2 179.726 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 16.4 p -103.5 142.3 34.51 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 120.532 0.206 . . . . 0.0 110.911 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.434 ' SG ' ' HB2' ' A' ' 27' ' ' TYR . 62.4 m -96.69 -37.92 10.13 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.523 0.678 . . . . 0.0 110.296 179.425 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 170.96 -158.07 29.38 Favored Glycine 0 N--CA 1.44 -1.034 0 CA-C-N 115.196 -0.911 . . . . 0.0 111.162 179.83 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.51 ' O ' ' HB2' ' A' ' 24' ' ' ARG . 60.3 mt -62.16 106.85 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-O 120.532 0.206 . . . . 0.0 110.628 179.758 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.51 ' O ' ' HA ' ' A' ' 8' ' ' LYS . 51.8 mmt-85 74.51 17.6 3.04 Favored 'General case' 0 N--CA 1.464 0.264 0 N-CA-C 113.16 0.8 . . . . 0.0 113.16 179.692 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 55.5 m-85 -127.6 132.16 49.84 Favored 'General case' 0 CA--C 1.514 -0.431 0 C-N-CA 120.035 -0.666 . . . . 0.0 110.71 178.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -113.26 141.86 46.5 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 115.139 -0.937 . . . . 0.0 110.136 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.434 ' HB2' ' SG ' ' A' ' 21' ' ' CYS . 2.6 t80 -98.94 105.35 17.48 Favored 'General case' 0 C--N 1.315 -0.902 0 N-CA-C 108.515 -0.92 . . . . 0.0 108.515 179.59 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.2 m -114.4 139.33 49.58 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 113.549 0.944 . . . . 0.0 113.549 -177.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.7 m -110.05 129.52 23.85 Favored Pre-proline 0 C--N 1.322 -0.59 0 CA-C-N 115.167 -0.924 . . . . 0.0 109.129 176.461 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.541 ' HA ' ' HA ' ' A' ' 15' ' ' GLU . 54.0 Cg_exo . . . . . 0 C--O 1.234 0.298 0 C-N-CA 123.221 2.614 . . . . 0.0 112.481 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 37.7 m-85 . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.868 0.366 . . . . 0.0 111.56 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 90.4 m -80.66 131.99 35.54 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 177.206 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.536 ' HD2' ' HA ' ' A' ' 11' ' ' CYS . 66.6 mtt-85 -136.12 143.79 44.74 Favored 'General case' 0 C--N 1.313 -0.993 0 CA-C-O 121.21 0.528 . . . . 0.0 111.063 -179.859 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.472 ' HB2' ' CE2' ' A' ' 25' ' ' PHE . 37.4 ttpt -87.88 124.86 34.1 Favored 'General case' 0 C--N 1.315 -0.908 0 CA-C-N 115.262 -0.881 . . . . 0.0 112.098 -178.562 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 82.24 -45.06 3.28 Favored Glycine 0 N--CA 1.451 -0.337 0 N-CA-C 115.232 0.853 . . . . 0.0 115.232 177.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 31.3 p-80 -165.15 158.13 16.3 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 117.692 0.746 . . . . 0.0 112.537 -178.629 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.566 ' SG ' HG22 ' A' ' 17' ' ' VAL . 15.1 m -87.85 170.92 10.77 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 114.645 -1.161 . . . . 0.0 110.808 179.186 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.45 ' HG2' ' N ' ' A' ' 13' ' ' ARG . 13.4 ttmt -71.66 155.41 40.54 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.598 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.45 ' N ' ' HG2' ' A' ' 12' ' ' LYS . 38.7 mmt180 -67.63 62.17 0.07 Allowed 'General case' 0 N--CA 1.469 0.475 0 CA-C-O 121.481 0.658 . . . . 0.0 111.077 179.648 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 175.87 -24.17 0.06 OUTLIER Glycine 0 N--CA 1.441 -1.029 0 CA-C-N 115.371 -0.831 . . . . 0.0 111.73 -179.178 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.607 ' HA ' ' HA ' ' A' ' 30' ' ' PRO . 41.5 mt-10 -93.8 131.53 39.08 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-O 121.273 0.559 . . . . 0.0 110.803 -179.839 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 4.1 ptm180 -94.99 140.44 29.95 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 115.182 -0.917 . . . . 0.0 110.16 179.645 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.566 HG22 ' SG ' ' A' ' 11' ' ' CYS . 23.2 t -66.53 119.6 12.13 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 CA-C-O 120.973 0.416 . . . . 0.0 111.066 -179.811 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 34.8 ttm180 -91.37 -37.2 13.38 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 108.32 -0.993 . . . . 0.0 108.32 177.767 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -175.69 -158.62 19.89 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.261 -0.971 . . . . 0.0 112.724 179.527 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 11.5 p -105.61 142.62 35.04 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 120.657 0.265 . . . . 0.0 111.292 -179.79 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 37.8 m -99.31 -37.63 9.18 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.343 0.592 . . . . 0.0 110.706 179.538 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 175.59 -159.51 27.37 Favored Glycine 0 N--CA 1.442 -0.955 0 CA-C-N 115.497 -0.774 . . . . 0.0 111.501 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.48 ' O ' ' HB2' ' A' ' 24' ' ' ARG . 60.2 mt -62.21 103.14 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-O 120.54 0.21 . . . . 0.0 110.837 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.48 ' HB2' ' O ' ' A' ' 23' ' ' ILE . 65.6 mtp180 76.19 18.34 1.94 Allowed 'General case' 0 N--CA 1.467 0.383 0 O-C-N 124.231 0.957 . . . . 0.0 112.935 179.59 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.472 ' CE2' ' HB2' ' A' ' 8' ' ' LYS . 57.7 m-85 -127.53 132.98 49.83 Favored 'General case' 0 CA--C 1.514 -0.438 0 CA-C-N 118.217 0.462 . . . . 0.0 109.868 178.373 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.3 mp -115.0 144.36 43.73 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.21 -179.304 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 7.0 t80 -92.67 108.79 20.25 Favored 'General case' 0 C--N 1.315 -0.891 0 N-CA-C 108.037 -1.097 . . . . 0.0 108.037 179.182 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 3.7 m -110.0 144.26 38.81 Favored 'General case' 0 C--N 1.319 -0.74 0 O-C-N 123.782 0.676 . . . . 0.0 112.184 -177.615 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 33.2 m -127.6 128.32 23.96 Favored Pre-proline 0 C--N 1.324 -0.542 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.395 178.723 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.607 ' HA ' ' HA ' ' A' ' 15' ' ' GLU . 44.9 Cg_exo . . . . . 0 C--O 1.232 0.225 0 C-N-CA 122.958 2.439 . . . . 0.0 112.417 -179.605 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 73.3 m-85 . . . . . 0 CA--C 1.522 -0.123 0 CA-C-O 121.032 0.444 . . . . 0.0 111.901 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 97.8 m -83.65 132.58 34.87 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.353 -0.84 . . . . 0.0 109.389 177.742 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 54.7 mtt-85 -137.86 141.48 40.73 Favored 'General case' 0 C--N 1.313 -0.998 0 CA-C-O 121.067 0.461 . . . . 0.0 110.343 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.548 ' HD3' ' O ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -83.39 132.17 35.0 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.576 -0.738 . . . . 0.0 112.633 -178.687 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 83.57 -52.43 4.72 Favored Glycine 0 N--CA 1.451 -0.356 0 CA-C-N 115.205 -0.907 . . . . 0.0 114.642 178.374 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -169.54 161.77 9.73 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.126 0.488 . . . . 0.0 112.12 -179.1 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.608 ' SG ' HG22 ' A' ' 17' ' ' VAL . 7.5 m -77.59 167.79 21.04 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 114.886 -1.052 . . . . 0.0 111.506 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.478 ' HG2' ' N ' ' A' ' 13' ' ' ARG . 8.7 ttmt -71.19 154.9 41.33 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 107.918 -1.141 . . . . 0.0 107.918 177.327 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.478 ' N ' ' HG2' ' A' ' 12' ' ' LYS . 23.7 mmm180 -65.2 69.64 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 121.019 0.438 . . . . 0.0 111.564 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.408 ' N ' ' O ' ' A' ' 12' ' ' LYS . . . 166.18 -23.94 0.14 Allowed Glycine 0 N--CA 1.443 -0.844 0 CA-C-N 115.747 -0.661 . . . . 0.0 111.868 -179.246 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.59 ' HA ' ' HA ' ' A' ' 30' ' ' PRO . 51.3 mt-10 -90.31 136.76 32.85 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-O 121.43 0.633 . . . . 0.0 110.999 -179.65 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -94.36 134.22 37.09 Favored 'General case' 0 C--N 1.313 -0.998 0 CA-C-N 114.951 -1.022 . . . . 0.0 110.219 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.608 HG22 ' SG ' ' A' ' 11' ' ' CYS . 15.9 t -62.28 120.8 9.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 120.92 0.391 . . . . 0.0 110.473 179.62 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.443 ' HD2' ' HD2' ' A' ' 27' ' ' TYR . 0.0 OUTLIER -95.52 -33.84 12.27 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 179.414 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 178.96 -160.36 25.92 Favored Glycine 0 N--CA 1.447 -0.615 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.463 179.802 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 14.3 p -106.38 142.85 35.36 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 120.656 0.265 . . . . 0.0 111.082 -179.82 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.473 ' SG ' ' HB2' ' A' ' 27' ' ' TYR . 56.9 m -100.9 -36.42 9.06 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.33 0.586 . . . . 0.0 110.415 179.393 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 173.28 -162.44 33.64 Favored Glycine 0 N--CA 1.439 -1.13 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.288 179.728 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.505 ' O ' ' HB2' ' A' ' 24' ' ' ARG . 60.3 mt -64.13 103.88 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 N-CA-C 110.589 -0.152 . . . . 0.0 110.589 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.505 ' HB2' ' O ' ' A' ' 23' ' ' ILE . 67.1 mtm180 81.41 15.44 0.55 Allowed 'General case' 0 N--CA 1.469 0.505 0 O-C-N 124.447 1.092 . . . . 0.0 112.642 179.668 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 61.6 m-85 -128.63 132.15 48.12 Favored 'General case' 0 CA--C 1.516 -0.361 0 C-N-CA 120.334 -0.546 . . . . 0.0 110.289 179.064 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 83.1 mt -115.69 143.6 45.13 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.386 -179.725 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.473 ' HB2' ' SG ' ' A' ' 21' ' ' CYS . 6.4 t80 -94.65 111.72 23.49 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 107.861 -1.163 . . . . 0.0 107.861 178.855 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 4.2 m -115.88 140.62 49.05 Favored 'General case' 0 C--N 1.315 -0.916 0 N-CA-C 112.813 0.672 . . . . 0.0 112.813 -177.457 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.44 ' HA ' ' HD3' ' A' ' 30' ' ' PRO . 60.8 m -113.71 125.15 29.92 Favored Pre-proline 0 C--N 1.323 -0.574 0 CA-C-N 115.305 -0.861 . . . . 0.0 108.903 178.439 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.59 ' HA ' ' HA ' ' A' ' 15' ' ' GLU . 33.6 Cg_exo . . . . . 0 CA--C 1.52 -0.183 0 C-N-CA 122.833 2.355 . . . . 0.0 112.977 -179.187 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 82.5 m-85 . . . . . 0 CA--C 1.52 -0.184 0 CA-C-O 120.866 0.365 . . . . 0.0 111.383 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 90.8 m -79.39 130.56 35.55 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 177.801 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.577 ' HG3' ' HA ' ' A' ' 11' ' ' CYS . 34.8 mmt180 -123.77 144.62 49.58 Favored 'General case' 0 C--N 1.312 -1.036 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.73 -179.77 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 7.1 ptpp? -91.34 122.43 33.94 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-O 121.152 0.501 . . . . 0.0 111.457 -179.51 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 75.83 -42.08 1.53 Allowed Glycine 0 C--O 1.227 -0.316 0 CA-C-N 115.58 -0.736 . . . . 0.0 114.186 179.169 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 27.9 p-80 -164.59 154.35 13.8 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.048 0.451 . . . . 0.0 111.52 -179.134 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.6 ' HB3' ' HB2' ' A' ' 15' ' ' GLU . 3.9 m -75.67 164.52 26.21 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 114.8 -1.091 . . . . 0.0 110.57 179.353 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.492 ' HG2' ' CD ' ' A' ' 15' ' ' GLU . 17.4 pttm -76.76 152.95 35.43 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 107.485 -1.302 . . . . 0.0 107.485 177.646 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 23.0 mmt85 -50.83 102.24 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.916 0.389 . . . . 0.0 111.415 -178.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 130.01 -30.51 3.51 Favored Glycine 0 N--CA 1.443 -0.841 0 C-N-CA 120.403 -0.903 . . . . 0.0 113.638 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.612 ' HA ' ' HA ' ' A' ' 30' ' ' PRO . 76.8 mt-10 -79.88 133.54 36.25 Favored 'General case' 0 CA--C 1.512 -0.484 0 CA-C-O 121.652 0.739 . . . . 0.0 112.085 -178.849 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 7.4 mpt_? -94.86 133.68 38.32 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 114.573 -1.194 . . . . 0.0 110.247 179.229 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.485 HG22 ' SG ' ' A' ' 11' ' ' CYS . 25.4 t -64.02 120.18 10.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 121.315 0.579 . . . . 0.0 111.03 -179.503 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.454 ' NE ' ' HA ' ' A' ' 18' ' ' ARG . 7.5 tpm_? -96.82 -35.44 10.94 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.556 -0.747 . . . . 0.0 109.324 179.084 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -179.98 -156.73 18.67 Favored Glycine 0 N--CA 1.447 -0.597 0 CA-C-N 115.394 -0.821 . . . . 0.0 112.315 179.746 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 11.2 p -109.5 143.05 39.67 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 120.57 0.224 . . . . 0.0 111.136 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 31.8 m -98.49 -38.42 9.19 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.489 0.661 . . . . 0.0 110.328 179.41 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 172.32 -157.94 28.0 Favored Glycine 0 N--CA 1.44 -1.058 0 CA-C-N 115.27 -0.877 . . . . 0.0 111.282 179.761 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.614 ' H ' HD12 ' A' ' 23' ' ' ILE . 4.3 mp -62.48 109.54 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 110.409 -0.219 . . . . 0.0 110.409 179.804 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.427 ' HB2' ' O ' ' A' ' 23' ' ' ILE . 69.3 mtp85 72.98 18.26 4.0 Favored 'General case' 0 CA--C 1.532 0.283 0 O-C-N 124.05 0.844 . . . . 0.0 112.991 179.585 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 71.8 m-85 -133.44 133.4 42.28 Favored 'General case' 0 CA--C 1.514 -0.442 0 CA-C-N 118.325 0.511 . . . . 0.0 110.345 178.681 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.2 mp -118.91 142.63 47.59 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.444 -0.798 . . . . 0.0 109.629 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -88.0 109.69 20.02 Favored 'General case' 0 C--N 1.316 -0.891 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 179.388 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 9.4 m -113.95 135.98 53.4 Favored 'General case' 0 C--N 1.313 -0.983 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.574 -178.413 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.437 ' SG ' ' HB2' ' A' ' 18' ' ' ARG . 46.5 m -106.46 120.62 47.94 Favored Pre-proline 0 C--N 1.315 -0.899 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 178.538 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.612 ' HA ' ' HA ' ' A' ' 15' ' ' GLU . 35.0 Cg_exo . . . . . 0 N--CA 1.461 -0.436 0 C-N-CA 122.482 2.122 . . . . 0.0 111.524 -179.659 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 32.9 m-85 . . . . . 0 C--O 1.233 0.214 0 CA-C-O 120.695 0.283 . . . . 0.0 111.514 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 67.5 m -84.51 133.93 34.45 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 177.298 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.528 ' HB2' ' SG ' ' A' ' 11' ' ' CYS . 2.4 mpt_? -134.63 160.12 39.1 Favored 'General case' 0 C--N 1.312 -1.039 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.977 178.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 57.4 pttt -105.1 123.16 47.33 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.219 0.533 . . . . 0.0 111.432 -179.594 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 75.84 -43.8 1.71 Allowed Glycine 0 CA--C 1.519 0.302 0 CA-C-N 115.747 -0.66 . . . . 0.0 114.157 179.22 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 28.8 p-80 -163.35 156.73 19.24 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.951 0.405 . . . . 0.0 111.121 -179.383 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.582 ' HB3' ' HB2' ' A' ' 15' ' ' GLU . 90.7 m -102.93 -178.56 3.7 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 115.088 -0.96 . . . . 0.0 111.047 179.756 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.463 ' HD3' ' OE2' ' A' ' 15' ' ' GLU . 28.9 mtpp -76.04 160.58 29.66 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.683 -179.422 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -68.48 62.28 0.1 Allowed 'General case' 0 N--CA 1.47 0.55 0 CA-C-O 121.834 0.826 . . . . 0.0 110.957 179.365 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 179.47 -29.29 0.06 OUTLIER Glycine 0 N--CA 1.438 -1.209 0 CA-C-N 115.011 -0.995 . . . . 0.0 110.827 -179.071 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.582 ' HB2' ' HB3' ' A' ' 11' ' ' CYS . 37.0 mt-10 -84.61 125.06 32.13 Favored 'General case' 0 N--CA 1.443 -0.803 0 CA-C-O 121.471 0.653 . . . . 0.0 110.0 179.472 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.476 ' NH1' ' HB3' ' A' ' 16' ' ' ARG . 16.4 ttp-105 -100.0 127.75 46.17 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 115.03 -0.986 . . . . 0.0 110.082 -179.281 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 36.3 t -57.87 125.34 13.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-O 121.366 0.603 . . . . 0.0 111.595 -179.352 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.567 ' HD2' ' SG ' ' A' ' 29' ' ' CYS . 34.4 ttt-85 -106.56 -32.96 7.83 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.12 -0.945 . . . . 0.0 109.407 179.224 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -176.21 -160.31 23.35 Favored Glycine 0 N--CA 1.447 -0.633 0 CA-C-N 115.325 -0.852 . . . . 0.0 112.265 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 7.9 p -107.38 144.71 33.88 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 120.741 0.305 . . . . 0.0 111.372 -179.697 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 56.9 m -98.85 -37.71 9.33 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.46 0.648 . . . . 0.0 110.199 179.304 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 172.27 -157.6 27.47 Favored Glycine 0 N--CA 1.441 -0.995 0 CA-C-N 115.211 -0.904 . . . . 0.0 111.178 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.467 ' O ' ' HB2' ' A' ' 24' ' ' ARG . 62.6 mt -62.42 109.81 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-O 120.557 0.217 . . . . 0.0 110.512 179.663 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.467 ' HB2' ' O ' ' A' ' 23' ' ' ILE . 85.7 mtt-85 73.38 14.51 4.43 Favored 'General case' 0 N--CA 1.466 0.338 0 O-C-N 123.976 0.798 . . . . 0.0 113.119 179.628 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.401 ' HA ' ' O ' ' A' ' 7' ' ' ARG . 42.8 m-85 -129.32 135.92 49.37 Favored 'General case' 0 CA--C 1.514 -0.424 0 CA-C-N 118.526 0.603 . . . . 0.0 110.649 179.123 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.501 ' N ' HD13 ' A' ' 26' ' ' LEU . 0.0 OUTLIER -121.72 146.11 47.36 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.439 -0.801 . . . . 0.0 110.059 179.379 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -96.37 111.98 23.88 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.715 -178.631 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 83.6 m -111.31 145.33 39.0 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-O 121.225 0.536 . . . . 0.0 112.165 -179.551 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.567 ' SG ' ' HD2' ' A' ' 18' ' ' ARG . 20.1 m -120.48 132.94 23.98 Favored Pre-proline 0 C--N 1.317 -0.835 0 N-CA-C 108.348 -0.982 . . . . 0.0 108.348 177.694 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_exo . . . . . 0 C--O 1.237 0.445 0 C-N-CA 123.231 2.621 . . . . 0.0 113.496 -178.901 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 31.4 m-85 . . . . . 0 N--CA 1.453 -0.296 0 CA-C-O 120.834 0.35 . . . . 0.0 110.448 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.471 ' SG ' ' HB3' ' A' ' 25' ' ' PHE . 43.5 t -90.03 140.83 29.26 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 108.186 -1.042 . . . . 0.0 108.186 178.056 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 50.9 mtt-85 -141.0 146.83 37.78 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.111 0.481 . . . . 0.0 111.401 -178.253 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.513 ' HA ' ' O ' ' A' ' 24' ' ' ARG . 5.8 ptmm? -91.84 113.56 25.86 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.324 -0.853 . . . . 0.0 111.452 -179.872 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 108.9 -55.45 0.51 Allowed Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.895 -0.669 . . . . 0.0 113.453 178.73 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -176.29 161.77 2.33 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.947 0.403 . . . . 0.0 111.475 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.53 ' HB3' ' HB2' ' A' ' 15' ' ' GLU . 4.2 m -75.53 164.52 26.26 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.158 -0.928 . . . . 0.0 111.064 179.791 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 28.0 mtpp -78.89 162.63 25.9 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.34 177.668 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 39.0 mmt180 -67.52 67.29 0.09 Allowed 'General case' 0 N--CA 1.467 0.418 0 CA-C-O 121.166 0.508 . . . . 0.0 110.99 179.514 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 175.25 -26.42 0.07 OUTLIER Glycine 0 N--CA 1.443 -0.865 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.362 -179.089 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.623 ' HA ' ' HA ' ' A' ' 30' ' ' PRO . 16.5 mt-10 -90.52 152.17 21.04 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-O 121.171 0.51 . . . . 0.0 111.705 -179.878 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 8.2 ptp180 -113.54 139.49 48.94 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 108.035 -1.098 . . . . 0.0 108.035 179.112 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.425 HG22 ' SG ' ' A' ' 11' ' ' CYS . 23.7 t -67.24 122.21 17.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-O 121.012 0.434 . . . . 0.0 110.979 -178.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.556 ' HD2' ' O ' ' A' ' 18' ' ' ARG . 4.7 tmm_? -98.98 -35.82 9.94 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 108.449 -0.945 . . . . 0.0 108.449 179.083 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 179.87 -178.48 48.58 Favored Glycine 0 N--CA 1.444 -0.8 0 CA-C-N 115.191 -0.913 . . . . 0.0 111.655 179.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.407 ' HA ' ' HA ' ' A' ' 26' ' ' LEU . 7.2 p -99.75 142.43 31.23 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-O 120.57 0.224 . . . . 0.0 111.312 179.839 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.462 ' HB2' ' CB ' ' A' ' 25' ' ' PHE . 90.7 m -87.73 -44.53 11.09 Favored 'General case' 0 CA--C 1.514 -0.438 0 CA-C-O 121.894 0.854 . . . . 0.0 109.239 178.732 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 171.52 -152.35 17.6 Favored Glycine 0 N--CA 1.439 -1.166 0 CA-C-N 114.311 -1.313 . . . . 0.0 111.064 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.671 ' H ' HD12 ' A' ' 23' ' ' ILE . 4.5 mp -60.11 106.76 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-O 120.731 0.3 . . . . 0.0 111.062 -179.827 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.513 ' O ' ' HA ' ' A' ' 8' ' ' LYS . 76.6 mtt85 72.94 18.54 3.98 Favored 'General case' 0 N--CA 1.467 0.419 0 N-CA-C 113.795 1.035 . . . . 0.0 113.795 179.032 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.512 ' CE2' ' HB3' ' A' ' 8' ' ' LYS . 33.1 m-85 -134.54 138.38 44.59 Favored 'General case' 0 CA--C 1.516 -0.365 0 CA-C-N 118.898 0.772 . . . . 0.0 109.866 178.554 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.427 ' N ' HD23 ' A' ' 26' ' ' LEU . 1.1 pt? -134.98 142.95 46.59 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.188 0.518 . . . . 0.0 110.369 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -91.46 114.67 27.26 Favored 'General case' 0 C--O 1.242 0.67 0 CA-C-N 115.433 -0.803 . . . . 0.0 109.291 -179.492 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 6.1 m -113.8 141.48 47.26 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.419 -0.809 . . . . 0.0 112.163 -178.185 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 31.2 m -121.27 129.3 25.32 Favored Pre-proline 0 C--N 1.322 -0.588 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 178.324 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.623 ' HA ' ' HA ' ' A' ' 15' ' ' GLU . 72.5 Cg_exo . . . . . 0 C--N 1.346 0.444 0 C-N-CA 122.728 2.285 . . . . 0.0 112.257 -179.751 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 78.7 m-85 . . . . . 0 CA--C 1.519 -0.213 0 CA-C-O 120.914 0.388 . . . . 0.0 111.099 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 88.6 m -79.67 129.76 34.76 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 177.644 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.553 ' HG3' ' HA ' ' A' ' 11' ' ' CYS . 35.1 mmt180 -121.99 141.79 50.98 Favored 'General case' 0 C--N 1.311 -1.07 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.807 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.417 ' HB3' ' CE2' ' A' ' 25' ' ' PHE . 54.5 pttt -88.24 123.27 32.69 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.337 -179.294 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 78.43 -47.33 2.95 Favored Glycine 0 N--CA 1.451 -0.338 0 CA-C-N 115.625 -0.716 . . . . 0.0 113.664 179.363 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -166.62 155.09 10.36 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.14 0.495 . . . . 0.0 111.635 -179.756 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.681 ' SG ' HG22 ' A' ' 17' ' ' VAL . 3.9 m -71.66 166.7 21.36 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 114.915 -1.039 . . . . 0.0 111.282 -179.862 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 32.7 mmmt -74.13 160.26 31.47 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 177.729 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 28.9 tpt180 -64.4 75.96 0.04 OUTLIER 'General case' 0 CA--C 1.532 0.27 0 CA-C-O 121.042 0.448 . . . . 0.0 111.188 -179.5 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 159.16 -25.09 0.33 Allowed Glycine 0 N--CA 1.444 -0.784 0 C-N-CA 121.19 -0.529 . . . . 0.0 112.077 -179.285 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.599 ' HB2' ' HB3' ' A' ' 11' ' ' CYS . 52.1 mt-10 -86.01 138.22 32.13 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-O 121.562 0.696 . . . . 0.0 111.799 -179.131 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.428 ' HD3' ' HA ' ' A' ' 16' ' ' ARG . 26.7 mmt180 -102.07 131.45 48.53 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 115.023 -0.99 . . . . 0.0 110.393 178.599 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.681 HG22 ' SG ' ' A' ' 11' ' ' CYS . 10.8 t -64.79 127.26 25.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.591 -179.793 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 60.9 ttp85 -118.59 -22.47 7.49 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.153 179.251 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -167.78 -169.1 30.86 Favored Glycine 0 N--CA 1.446 -0.651 0 C-N-CA 119.983 -1.103 . . . . 0.0 112.82 179.549 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 16.4 p -112.7 143.87 43.18 Favored 'General case' 0 C--N 1.318 -0.769 0 C-N-CA 122.419 0.288 . . . . 0.0 110.31 179.724 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 55.8 m -102.31 -37.29 8.14 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.296 0.57 . . . . 0.0 110.897 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 170.09 -158.39 30.38 Favored Glycine 0 N--CA 1.442 -0.966 0 C-N-CA 120.753 -0.737 . . . . 0.0 111.424 179.731 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.474 ' O ' ' HB2' ' A' ' 24' ' ' ARG . 60.0 mt -62.46 107.17 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 N-CA-C 110.563 -0.162 . . . . 0.0 110.563 179.654 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.474 ' HB2' ' O ' ' A' ' 23' ' ' ILE . 79.7 mtp180 74.8 17.63 2.82 Favored 'General case' 0 N--CA 1.466 0.345 0 O-C-N 124.151 0.907 . . . . 0.0 113.003 179.662 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.417 ' CE2' ' HB3' ' A' ' 8' ' ' LYS . 58.5 m-85 -129.94 130.94 45.74 Favored 'General case' 0 CA--C 1.512 -0.49 0 C-N-CA 120.198 -0.601 . . . . 0.0 110.293 178.592 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 78.2 mt -115.18 141.35 48.13 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-N 115.085 -0.961 . . . . 0.0 110.35 -179.646 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -88.5 105.82 17.88 Favored 'General case' 0 C--N 1.316 -0.874 0 N-CA-C 108.137 -1.06 . . . . 0.0 108.137 178.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.4 m -111.99 139.9 47.11 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 115.492 -0.776 . . . . 0.0 111.864 -177.701 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.415 ' HA ' ' HD3' ' A' ' 30' ' ' PRO . 13.6 m -112.47 123.08 34.84 Favored Pre-proline 0 C--N 1.318 -0.797 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 178.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.562 ' HA ' ' HA ' ' A' ' 15' ' ' GLU . 38.7 Cg_exo . . . . . 0 N--CA 1.464 -0.234 0 C-N-CA 122.626 2.217 . . . . 0.0 111.574 -179.829 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 26.6 m-85 . . . . . 0 N--CA 1.45 -0.448 0 N-CA-C 110.096 -0.335 . . . . 0.0 110.096 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 95.7 m -81.67 126.96 32.4 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.026 178.838 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 62.2 mtt-85 -135.28 139.89 44.74 Favored 'General case' 0 C--N 1.312 -1.056 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.253 179.447 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.738 ' HD3' ' H ' ' A' ' 8' ' ' LYS . 0.3 OUTLIER -81.33 134.64 35.61 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 115.501 -0.772 . . . . 0.0 111.694 -178.867 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 85.81 -53.7 4.71 Favored Glycine 0 N--CA 1.449 -0.498 0 CA-C-N 115.396 -0.82 . . . . 0.0 114.096 178.822 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -174.3 164.77 3.97 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.065 0.459 . . . . 0.0 111.694 -179.534 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.634 ' SG ' HG22 ' A' ' 17' ' ' VAL . 3.3 m -71.21 161.68 30.69 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.084 -0.962 . . . . 0.0 111.135 179.67 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 21.8 tttm -77.98 147.61 34.8 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 107.596 -1.261 . . . . 0.0 107.596 176.803 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 27.7 mmm180 -50.6 110.81 0.45 Allowed 'General case' 0 C--O 1.238 0.45 0 N-CA-C 110.047 -0.353 . . . . 0.0 110.047 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 124.4 -21.75 6.75 Favored Glycine 0 N--CA 1.445 -0.757 0 C-N-CA 120.878 -0.677 . . . . 0.0 112.81 -178.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.622 ' HA ' ' HA ' ' A' ' 30' ' ' PRO . 56.5 mt-10 -94.98 137.27 34.26 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-O 121.707 0.765 . . . . 0.0 111.871 -178.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 15.2 tpt180 -97.05 132.58 42.71 Favored 'General case' 0 C--N 1.314 -0.967 0 CA-C-N 114.547 -1.206 . . . . 0.0 109.391 178.831 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.634 HG22 ' SG ' ' A' ' 11' ' ' CYS . 13.5 t -62.92 124.56 17.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-O 121.077 0.465 . . . . 0.0 110.944 -179.578 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 29.3 tpt180 -98.65 -33.9 10.77 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.355 -0.839 . . . . 0.0 108.941 178.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 176.5 -160.21 27.62 Favored Glycine 0 N--CA 1.446 -0.683 0 CA-C-N 115.305 -0.861 . . . . 0.0 112.122 179.64 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 13.1 p -106.74 142.46 36.34 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 120.602 0.239 . . . . 0.0 110.931 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 55.0 m -96.8 -37.31 10.32 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.429 0.633 . . . . 0.0 110.37 179.514 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 172.86 -160.66 31.67 Favored Glycine 0 N--CA 1.439 -1.139 0 CA-C-N 115.195 -0.911 . . . . 0.0 111.143 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.5 ' O ' ' HB2' ' A' ' 24' ' ' ARG . 44.7 mm -63.61 106.92 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 N-CA-C 110.385 -0.228 . . . . 0.0 110.385 179.702 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.5 ' HB2' ' O ' ' A' ' 23' ' ' ILE . 90.3 mtm-85 77.39 15.98 1.66 Allowed 'General case' 0 N--CA 1.468 0.45 0 O-C-N 124.249 0.968 . . . . 0.0 112.948 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 55.0 m-85 -128.21 131.71 48.83 Favored 'General case' 0 CA--C 1.512 -0.507 0 CA-C-N 118.637 0.653 . . . . 0.0 110.466 178.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.5 mp -112.8 142.78 45.05 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 115.13 -0.941 . . . . 0.0 110.383 -179.773 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -96.55 109.8 22.32 Favored 'General case' 0 C--N 1.316 -0.86 0 N-CA-C 107.884 -1.154 . . . . 0.0 107.884 179.275 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.8 m -123.23 141.61 51.8 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 113.663 0.986 . . . . 0.0 113.663 -177.153 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.4 m -115.36 129.13 25.36 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 115.179 -0.919 . . . . 0.0 110.159 177.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.622 ' HA ' ' HA ' ' A' ' 15' ' ' GLU . 32.9 Cg_exo . . . . . 0 C--O 1.233 0.241 0 C-N-CA 122.558 2.172 . . . . 0.0 111.699 179.5 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 54.0 m-85 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 121.425 0.631 . . . . 0.0 111.855 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.483 ' HA ' ' O ' ' A' ' 26' ' ' LEU . 72.0 m -90.59 134.14 34.59 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.225 -0.898 . . . . 0.0 109.547 177.763 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.656 ' HB2' ' O ' ' A' ' 10' ' ' HIS . 70.9 mtt-85 -144.79 144.74 31.32 Favored 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 108.809 -0.811 . . . . 0.0 108.809 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 53.2 tttm -66.74 102.21 0.91 Allowed 'General case' 0 C--N 1.316 -0.856 0 N-CA-C 113.428 0.899 . . . . 0.0 113.428 -177.486 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 50.77 40.97 42.6 Favored Glycine 0 C--O 1.228 -0.245 0 CA-C-N 114.112 -1.403 . . . . 0.0 115.87 177.109 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . 0.656 ' O ' ' HB2' ' A' ' 7' ' ' ARG . 1.1 p-80 179.4 163.02 0.9 Allowed 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 117.135 0.468 . . . . 0.0 110.594 178.311 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.582 ' HB3' ' HB2' ' A' ' 15' ' ' GLU . 5.0 m -124.32 161.04 26.71 Favored 'General case' 0 C--N 1.314 -0.975 0 CA-C-N 115.855 -0.612 . . . . 0.0 110.15 179.851 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.617 ' HB3' ' CD ' ' A' ' 15' ' ' GLU . 18.3 tttt -64.98 150.23 48.39 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 107.517 -1.29 . . . . 0.0 107.517 177.088 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.408 ' N ' ' HG2' ' A' ' 12' ' ' LYS . 37.2 mmt180 -58.21 96.97 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 179.652 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 131.42 -19.91 4.75 Favored Glycine 0 N--CA 1.445 -0.735 0 C-N-CA 120.92 -0.657 . . . . 0.0 112.179 -178.476 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.665 ' HA ' ' HA ' ' A' ' 30' ' ' PRO . 98.2 mt-10 -81.11 131.67 35.31 Favored 'General case' 0 CA--C 1.515 -0.394 0 CA-C-O 121.413 0.625 . . . . 0.0 111.808 -179.473 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 38.9 ttm180 -94.92 133.09 39.03 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.126 -0.943 . . . . 0.0 110.001 178.306 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 46.5 t -57.77 125.11 13.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 121.27 0.557 . . . . 0.0 111.272 -179.776 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.452 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 13.5 tpt180 -99.56 -35.96 9.69 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.184 -0.916 . . . . 0.0 109.279 179.382 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 163.17 -157.16 29.2 Favored Glycine 0 N--CA 1.446 -0.689 0 CA-C-N 114.881 -1.054 . . . . 0.0 111.465 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 10.9 p -94.19 142.53 27.29 Favored 'General case' 0 C--N 1.317 -0.84 0 O-C-N 122.968 -0.136 . . . . 0.0 110.825 179.401 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 13.7 t -90.5 -46.57 8.24 Favored 'General case' 0 CA--C 1.513 -0.453 0 CA-C-O 121.984 0.897 . . . . 0.0 109.056 179.172 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 173.98 -153.76 17.85 Favored Glycine 0 N--CA 1.436 -1.347 0 CA-C-N 114.143 -1.39 . . . . 0.0 110.608 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 49.6 mm -58.97 108.23 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-O 120.862 0.363 . . . . 0.0 111.284 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 22.6 mmt85 69.17 23.37 6.42 Favored 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 113.718 1.007 . . . . 0.0 113.718 178.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 71.1 m-85 -133.93 136.08 43.99 Favored 'General case' 0 CA--C 1.507 -0.676 0 CA-C-O 121.711 0.767 . . . . 0.0 111.436 178.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.483 ' O ' ' HA ' ' A' ' 6' ' ' CYS . 41.0 tp -104.61 143.09 33.54 Favored 'General case' 0 C--N 1.311 -1.079 0 CA-C-N 114.081 -1.418 . . . . 0.0 108.572 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 10.8 t80 -106.79 112.54 25.57 Favored 'General case' 0 C--N 1.301 -1.507 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 -179.14 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.7 m -120.18 137.91 53.92 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-O 121.122 0.487 . . . . 0.0 111.671 -178.585 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.452 ' SG ' ' HB2' ' A' ' 18' ' ' ARG . 82.6 m -102.54 118.9 57.59 Favored Pre-proline 0 C--N 1.32 -0.678 0 N-CA-C 108.752 -0.833 . . . . 0.0 108.752 178.186 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.665 ' HA ' ' HA ' ' A' ' 15' ' ' GLU . 34.3 Cg_exo . . . . . 0 CA--C 1.512 -0.605 0 C-N-CA 122.725 2.284 . . . . 0.0 112.972 -178.668 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.678 0 N-CA-C 111.835 -0.506 . . . . 0.0 111.835 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 93.3 mt -76.74 76.97 3.37 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.061 0.458 . . . . 0.0 110.811 179.659 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 48.6 tp -164.79 126.95 2.21 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.637 -179.745 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.62 ' HB2' ' CZ ' ' A' ' 27' ' ' TYR . 26.2 m -124.85 160.0 29.79 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.098 -179.624 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 15.7 m-85 -137.02 151.5 49.03 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.301 0.572 . . . . 0.0 112.011 -179.054 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 98.2 m -80.99 135.95 35.94 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.14 -0.936 . . . . 0.0 109.365 177.432 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 74.3 mmt-85 -124.63 146.86 48.85 Favored 'General case' 0 C--N 1.311 -1.107 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.551 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.676 ' HG2' ' CE2' ' A' ' 25' ' ' PHE . 43.9 mtpt -91.27 119.84 31.67 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.779 -179.123 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 75.73 -44.74 1.79 Allowed Glycine 0 N--CA 1.452 -0.283 0 CA-C-N 116.043 -0.526 . . . . 0.0 114.234 179.168 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -167.54 157.04 10.26 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.153 0.501 . . . . 0.0 112.01 -179.148 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.588 ' SG ' HG22 ' A' ' 17' ' ' VAL . 3.6 m -79.71 165.91 22.34 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.015 -0.993 . . . . 0.0 110.786 179.743 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 50.8 mtmt -80.46 165.36 22.25 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 178.113 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -66.72 70.4 0.08 Allowed 'General case' 0 N--CA 1.466 0.375 0 CA-C-O 121.002 0.43 . . . . 0.0 111.402 179.667 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 168.83 -26.24 0.12 Allowed Glycine 0 N--CA 1.443 -0.895 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.575 -179.318 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.575 ' HA ' ' HA ' ' A' ' 30' ' ' PRO . 26.1 mt-10 -96.46 124.24 40.39 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-O 121.025 0.441 . . . . 0.0 110.427 -179.739 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.467 ' HD3' ' HA ' ' A' ' 16' ' ' ARG . 19.1 mmt85 -93.88 137.13 33.44 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.86 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.588 HG22 ' SG ' ' A' ' 11' ' ' CYS . 16.7 t -61.7 125.91 18.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.983 -179.682 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.89 -30.72 8.34 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.533 -0.758 . . . . 0.0 109.335 179.144 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -174.25 -161.1 23.62 Favored Glycine 0 N--CA 1.446 -0.636 0 C-N-CA 120.585 -0.817 . . . . 0.0 112.405 179.787 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 16.6 p -111.31 143.02 42.77 Favored 'General case' 0 C--N 1.32 -0.693 0 C-N-CA 122.201 0.2 . . . . 0.0 111.033 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 39.7 m -99.28 -35.82 9.83 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.505 0.669 . . . . 0.0 110.255 179.288 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 171.31 -159.86 31.81 Favored Glycine 0 N--CA 1.439 -1.101 0 CA-C-N 115.304 -0.862 . . . . 0.0 111.066 179.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.558 ' H ' HD12 ' A' ' 23' ' ' ILE . 4.3 mp -64.36 109.1 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 N-CA-C 109.941 -0.392 . . . . 0.0 109.941 179.496 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.478 ' HB2' ' O ' ' A' ' 23' ' ' ILE . 61.6 mtp85 75.22 16.52 2.74 Favored 'General case' 0 N--CA 1.466 0.372 0 O-C-N 124.019 0.824 . . . . 0.0 112.697 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.676 ' CE2' ' HG2' ' A' ' 8' ' ' LYS . 14.0 m-85 -128.2 132.4 48.83 Favored 'General case' 0 CA--C 1.513 -0.469 0 CA-C-O 121.121 0.486 . . . . 0.0 110.004 178.861 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 72.8 mt -117.96 140.47 49.68 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.685 -179.307 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.62 ' CZ ' ' HB2' ' A' ' 4' ' ' CYS . 3.9 t80 -89.24 107.87 19.3 Favored 'General case' 0 C--N 1.317 -0.844 0 N-CA-C 107.84 -1.17 . . . . 0.0 107.84 178.758 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 3.9 m -110.98 140.37 45.56 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.934 -177.715 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 35.0 m -114.83 121.26 35.81 Favored Pre-proline 0 C--N 1.319 -0.76 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.282 178.51 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.575 ' HA ' ' HA ' ' A' ' 15' ' ' GLU . 51.7 Cg_exo -55.68 149.58 48.73 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.862 2.374 . . . . 0.0 111.473 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.699 ' HA ' ' NE ' ' A' ' 31' ' ' ARG . 4.0 mmp_? -86.13 42.4 0.98 Allowed 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.177 0.513 . . . . 0.0 111.605 -179.253 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.406 ' HD3' ' HA ' ' A' ' 32' ' ' ARG . 14.3 tpp85 . . . . . 0 C--O 1.248 1.026 0 N-CA-C 108.371 -0.974 . . . . 0.0 108.371 179.349 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.667 0 N-CA-C 111.608 -0.597 . . . . 0.0 111.608 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 95.7 mt -75.87 65.56 1.98 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.235 0.541 . . . . 0.0 111.225 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 60.7 tp -162.49 128.9 3.54 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 108.747 -0.835 . . . . 0.0 108.747 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.649 ' HB2' ' CZ ' ' A' ' 27' ' ' TYR . 5.7 m -89.01 154.32 20.3 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-O 120.966 0.412 . . . . 0.0 110.534 -179.08 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 51.7 m-85 -133.91 142.64 47.82 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.498 -179.149 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 91.8 m -81.07 133.02 35.4 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.394 177.761 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 58.5 mtt-85 -137.82 139.59 40.05 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-O 121.06 0.457 . . . . 0.0 110.085 179.615 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.461 ' HA ' ' O ' ' A' ' 24' ' ' ARG . 0.0 OUTLIER -82.46 133.55 35.21 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 115.525 -0.761 . . . . 0.0 112.021 -178.798 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 87.12 -55.6 4.58 Favored Glycine 0 N--CA 1.451 -0.312 0 CA-C-N 115.242 -0.89 . . . . 0.0 113.355 179.423 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -175.05 165.82 3.47 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.88 0.371 . . . . 0.0 111.136 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.651 ' SG ' HG22 ' A' ' 17' ' ' VAL . 3.7 m -72.04 160.66 32.12 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.291 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.499 ' HB3' ' OE1' ' A' ' 15' ' ' GLU . 13.0 ttpp -87.24 151.14 23.41 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 107.358 -1.349 . . . . 0.0 107.358 177.01 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 53.2 mmm-85 -48.84 116.46 1.65 Allowed 'General case' 0 C--O 1.235 0.295 0 CA-C-O 120.764 0.316 . . . . 0.0 110.378 -179.749 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 123.36 -30.99 4.8 Favored Glycine 0 N--CA 1.445 -0.759 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.644 -178.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.574 ' HA ' ' HA ' ' A' ' 30' ' ' PRO . 3.4 mt-10 -97.73 131.29 44.4 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-O 121.257 0.551 . . . . 0.0 111.793 -179.211 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 47.4 mmm-85 -94.52 138.27 32.63 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.141 179.317 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.651 HG22 ' SG ' ' A' ' 11' ' ' CYS . 11.0 t -64.98 123.8 18.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-O 120.908 0.385 . . . . 0.0 111.14 -179.737 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.629 ' HD2' ' SG ' ' A' ' 29' ' ' CYS . 51.4 ttt-85 -100.72 -34.05 10.01 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.071 -0.715 . . . . 0.0 109.071 178.65 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 176.8 -158.05 23.7 Favored Glycine 0 N--CA 1.446 -0.639 0 CA-C-N 115.371 -0.831 . . . . 0.0 112.45 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 7.9 p -107.17 143.34 35.5 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 120.583 0.23 . . . . 0.0 111.314 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.413 ' SG ' ' HB2' ' A' ' 27' ' ' TYR . 49.9 m -99.38 -38.15 8.95 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.325 0.583 . . . . 0.0 110.513 179.436 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 175.04 -157.02 23.66 Favored Glycine 0 N--CA 1.442 -0.952 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.603 179.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.487 ' O ' ' HB2' ' A' ' 24' ' ' ARG . 46.7 mm -61.54 103.6 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 120.532 0.206 . . . . 0.0 110.963 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.487 ' HB2' ' O ' ' A' ' 23' ' ' ILE . 0.9 OUTLIER 74.66 15.53 3.26 Favored 'General case' 0 N--CA 1.469 0.478 0 O-C-N 124.108 0.88 . . . . 0.0 112.961 179.775 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 34.0 m-85 -124.11 133.59 53.57 Favored 'General case' 0 CA--C 1.512 -0.514 0 CA-C-N 118.479 0.581 . . . . 0.0 110.04 178.782 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.6 mp -115.28 144.13 44.2 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.028 -179.741 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.649 ' CZ ' ' HB2' ' A' ' 4' ' ' CYS . 3.9 t80 -94.43 112.56 24.34 Favored 'General case' 0 C--N 1.316 -0.867 0 N-CA-C 108.158 -1.053 . . . . 0.0 108.158 179.204 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 10.9 m -117.01 139.56 50.53 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-N 116.122 -0.49 . . . . 0.0 112.264 -177.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.629 ' SG ' ' HD2' ' A' ' 18' ' ' ARG . 38.9 m -112.25 125.76 29.57 Favored Pre-proline 0 C--N 1.32 -0.698 0 CA-C-N 115.505 -0.771 . . . . 0.0 109.672 178.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.574 ' HA ' ' HA ' ' A' ' 15' ' ' GLU . 31.2 Cg_exo -61.17 145.33 98.84 Favored 'Trans proline' 0 CA--C 1.52 -0.21 0 C-N-CA 122.879 2.386 . . . . 0.0 112.059 -179.708 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.544 ' O ' ' HD3' ' A' ' 31' ' ' ARG . 0.9 OUTLIER -60.74 -33.46 72.95 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.706 -179.861 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.424 ' HD2' ' C ' ' A' ' 32' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.112 0 CA-C-O 117.882 -1.056 . . . . 0.0 108.854 179.403 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.506 0 N-CA-C 111.413 -0.675 . . . . 0.0 111.413 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.844 HD23 ' H ' ' A' ' 2' ' ' LEU . 1.5 pt? -78.61 54.07 1.42 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.067 0.461 . . . . 0.0 111.091 179.432 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.465 ' O ' ' HD2' ' A' ' 30' ' ' PRO . 2.5 pt? -167.65 137.5 2.74 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 179.768 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.53 ' HB2' ' CZ ' ' A' ' 27' ' ' TYR . 21.5 m -140.77 157.02 46.01 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.57 -179.826 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 89.6 m-85 -142.03 145.44 34.4 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.924 0.392 . . . . 0.0 111.536 -178.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 69.1 m -84.12 132.7 34.67 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.165 177.592 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.46 ' HE ' ' CD ' ' A' ' 15' ' ' GLU . 69.8 mtt-85 -136.27 143.45 44.25 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-O 121.399 0.618 . . . . 0.0 110.769 179.725 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 63.1 tttm -83.24 126.5 32.72 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.043 -0.98 . . . . 0.0 111.849 -178.66 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 88.29 -54.36 4.2 Favored Glycine 0 N--CA 1.448 -0.526 0 CA-C-N 115.558 -0.746 . . . . 0.0 114.711 178.228 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -172.02 158.2 4.61 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.576 0.584 . . . . 0.0 112.576 -178.716 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.554 ' SG ' HG22 ' A' ' 17' ' ' VAL . 3.3 m -72.92 162.39 29.55 Favored 'General case' 0 C--O 1.24 0.571 0 CA-C-N 115.054 -0.976 . . . . 0.0 111.453 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 61.0 tttp -72.36 156.45 39.07 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 108.092 -1.077 . . . . 0.0 108.092 177.283 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.531 ' HA ' ' CZ ' ' A' ' 13' ' ' ARG . 8.9 mmp_? -67.93 78.53 0.22 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.28 0.562 . . . . 0.0 110.487 -179.742 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 163.9 -22.86 0.17 Allowed Glycine 0 N--CA 1.443 -0.891 0 CA-C-N 115.067 -0.97 . . . . 0.0 111.204 -178.65 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.612 ' HA ' ' HA ' ' A' ' 30' ' ' PRO . 46.5 mt-10 -92.56 139.92 30.09 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-O 121.548 0.689 . . . . 0.0 111.571 -179.456 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -98.94 131.8 44.74 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-N 114.8 -1.091 . . . . 0.0 109.061 178.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.554 HG22 ' SG ' ' A' ' 11' ' ' CYS . 21.2 t -62.16 123.59 15.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 121.147 0.499 . . . . 0.0 110.851 -179.707 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.545 ' HD2' ' SG ' ' A' ' 29' ' ' CYS . 41.6 ttt85 -97.03 -36.71 10.42 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.409 -0.814 . . . . 0.0 108.864 179.096 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 177.64 -159.14 24.87 Favored Glycine 0 N--CA 1.447 -0.617 0 CA-C-N 115.192 -0.913 . . . . 0.0 112.531 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 17.0 p -105.52 141.96 36.09 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 120.658 0.266 . . . . 0.0 111.355 -179.715 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.468 ' SG ' ' HB2' ' A' ' 27' ' ' TYR . 61.9 m -100.56 -37.61 8.72 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.183 0.516 . . . . 0.0 110.812 179.281 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 174.89 -157.87 25.3 Favored Glycine 0 N--CA 1.444 -0.786 0 C-N-CA 120.752 -0.737 . . . . 0.0 111.825 179.757 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.507 ' O ' ' HB2' ' A' ' 24' ' ' ARG . 57.6 mt -62.12 99.83 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 120.661 0.267 . . . . 0.0 110.849 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.76 ' HA ' ' HE ' ' A' ' 24' ' ' ARG . 1.6 mmp_? 75.58 20.23 1.93 Allowed 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 115.265 -0.879 . . . . 0.0 112.903 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 43.8 m-85 -124.19 132.84 53.64 Favored 'General case' 0 CA--C 1.512 -0.502 0 N-CA-C 109.438 -0.579 . . . . 0.0 109.438 177.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 80.6 mt -117.39 142.69 46.81 Favored 'General case' 0 C--N 1.313 -1.001 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.459 -179.186 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.53 ' CZ ' ' HB2' ' A' ' 4' ' ' CYS . 3.4 t80 -94.26 110.62 22.35 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 107.583 -1.266 . . . . 0.0 107.583 178.865 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 4.4 m -117.69 143.43 46.2 Favored 'General case' 0 C--N 1.313 -0.984 0 N-CA-C 112.26 0.467 . . . . 0.0 112.26 -177.43 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.545 ' SG ' ' HD2' ' A' ' 18' ' ' ARG . 17.1 m -116.88 121.95 32.09 Favored Pre-proline 0 C--N 1.321 -0.653 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.366 178.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.612 ' HA ' ' HA ' ' A' ' 15' ' ' GLU . 50.7 Cg_exo -56.39 147.73 66.19 Favored 'Trans proline' 0 C--O 1.233 0.243 0 C-N-CA 122.733 2.289 . . . . 0.0 112.235 -179.794 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -60.26 -41.35 93.03 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.791 -179.658 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 30.1 mmm-85 . . . . . 0 C--O 1.245 0.855 0 CA-C-O 118.652 -0.69 . . . . 0.0 110.31 178.875 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.769 0 N-CA-C 111.176 -0.769 . . . . 0.0 111.176 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.439 HD13 ' HA ' ' A' ' 2' ' ' LEU . 2.6 mm? -71.51 118.84 14.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 117.101 0.45 . . . . 0.0 110.475 179.176 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.575 ' O ' ' HD2' ' A' ' 30' ' ' PRO . 34.4 tp 178.57 137.55 0.09 Allowed 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 114.878 -1.055 . . . . 0.0 108.428 -179.414 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.453 ' HB2' ' CZ ' ' A' ' 27' ' ' TYR . 37.5 m -145.87 155.8 43.13 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 120.783 0.325 . . . . 0.0 110.708 -179.626 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -146.94 146.15 30.02 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.202 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 89.2 m -86.42 131.16 34.26 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.504 -0.771 . . . . 0.0 109.239 177.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.442 ' HE ' ' CD ' ' A' ' 15' ' ' GLU . 71.2 mtt-85 -134.27 148.66 50.84 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-O 121.116 0.484 . . . . 0.0 111.143 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.466 ' HA ' ' O ' ' A' ' 24' ' ' ARG . 54.1 mtmt -79.68 126.14 30.55 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.347 -0.842 . . . . 0.0 112.225 -178.757 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 76.56 -48.32 2.56 Favored Glycine 0 N--CA 1.451 -0.361 0 N-CA-C 115.396 0.918 . . . . 0.0 115.396 177.608 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 26.4 p-80 -167.45 162.5 14.58 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 117.709 0.755 . . . . 0.0 112.672 -178.445 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.586 ' HB3' ' HB2' ' A' ' 15' ' ' GLU . 3.5 m -76.3 165.53 24.74 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 114.315 -1.312 . . . . 0.0 110.669 179.061 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.524 ' HG2' ' OE1' ' A' ' 15' ' ' GLU . 9.9 ptmm? -89.56 156.73 18.42 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 107.8 -1.185 . . . . 0.0 107.8 176.806 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 39.7 mmt180 -52.01 114.16 1.23 Allowed 'General case' 0 C--O 1.236 0.388 0 CA-C-O 120.894 0.378 . . . . 0.0 110.197 -179.707 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 127.36 -31.72 3.74 Favored Glycine 0 N--CA 1.446 -0.664 0 C-N-CA 120.85 -0.69 . . . . 0.0 112.657 -178.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.586 ' HB2' ' HB3' ' A' ' 11' ' ' CYS . 63.4 mt-10 -90.22 142.81 27.35 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-O 121.477 0.656 . . . . 0.0 111.715 -179.269 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.47 ' HD2' ' O ' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -105.83 137.59 43.46 Favored 'General case' 0 C--N 1.313 -1.006 0 CA-C-N 114.793 -1.094 . . . . 0.0 108.468 178.397 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.42 HG22 ' SG ' ' A' ' 11' ' ' CYS . 27.7 t -65.01 123.93 18.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-O 121.164 0.507 . . . . 0.0 111.027 -178.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.435 ' HD3' ' O ' ' A' ' 18' ' ' ARG . 4.2 tmt_? -98.48 -35.33 10.3 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 108.517 -0.92 . . . . 0.0 108.517 179.119 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 173.19 -158.5 28.18 Favored Glycine 0 N--CA 1.448 -0.547 0 CA-C-N 115.285 -0.871 . . . . 0.0 112.342 179.622 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 7.9 p -106.27 143.5 34.3 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-O 120.599 0.238 . . . . 0.0 110.948 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 58.4 m -98.21 -38.03 9.45 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.522 0.677 . . . . 0.0 110.347 179.513 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 171.24 -157.12 27.6 Favored Glycine 0 N--CA 1.441 -1.019 0 CA-C-N 115.194 -0.912 . . . . 0.0 111.063 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.467 ' O ' ' HB2' ' A' ' 24' ' ' ARG . 49.9 mm -61.87 110.28 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-O 120.575 0.226 . . . . 0.0 110.477 179.606 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.467 ' HB2' ' O ' ' A' ' 23' ' ' ILE . 19.4 mmt85 72.28 14.92 5.42 Favored 'General case' 0 N--CA 1.465 0.291 0 N-CA-C 113.291 0.849 . . . . 0.0 113.291 179.608 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 19.5 m-85 -127.49 132.57 49.96 Favored 'General case' 0 CA--C 1.511 -0.525 0 CA-C-N 118.704 0.684 . . . . 0.0 110.954 179.081 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 6.1 mp -116.41 143.19 45.88 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 115.069 -0.969 . . . . 0.0 109.368 179.345 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.453 ' CZ ' ' HB2' ' A' ' 4' ' ' CYS . 2.1 t80 -95.44 113.57 25.25 Favored 'General case' 0 C--N 1.314 -0.952 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 179.766 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.4 m -116.9 145.11 43.8 Favored 'General case' 0 C--N 1.314 -0.948 0 CA-C-O 121.228 0.537 . . . . 0.0 112.014 -178.608 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 8.8 m -130.53 130.08 22.88 Favored Pre-proline 0 C--N 1.321 -0.633 0 CA-C-N 115.395 -0.82 . . . . 0.0 108.983 179.055 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.575 ' HD2' ' O ' ' A' ' 3' ' ' LEU . 82.8 Cg_exo -45.57 151.77 1.06 Allowed 'Trans proline' 0 C--O 1.235 0.348 0 C-N-CA 123.479 2.786 . . . . 0.0 113.615 -179.667 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 39.8 mmm-85 -56.57 -34.33 67.03 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.408 -0.814 . . . . 0.0 112.538 -179.274 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 12.6 ptm180 . . . . . 0 C--O 1.252 1.204 0 CA-C-O 118.891 -0.576 . . . . 0.0 110.122 -179.977 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.701 0 N-CA-C 111.673 -0.571 . . . . 0.0 111.673 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.471 ' H ' ' HG ' ' A' ' 2' ' ' LEU . 0.8 OUTLIER -80.69 40.61 0.52 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.187 0.518 . . . . 0.0 111.418 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -172.01 133.4 0.71 Allowed 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.536 -0.913 . . . . 0.0 108.536 179.592 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.552 ' HB2' ' CE2' ' A' ' 27' ' ' TYR . 63.3 m -89.82 161.9 15.76 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-O 121.085 0.469 . . . . 0.0 110.308 -179.057 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 47.0 m-85 -127.72 143.67 51.13 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.614 179.466 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 96.1 m -79.19 128.32 33.15 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.149 0.5 . . . . 0.0 109.892 178.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.474 ' HG3' ' HA ' ' A' ' 11' ' ' CYS . 32.4 mmt180 -123.63 143.09 50.45 Favored 'General case' 0 C--N 1.311 -1.077 0 CA-C-N 115.438 -0.801 . . . . 0.0 109.663 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 20.8 ptmt -88.09 123.54 32.87 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-O 121.15 0.5 . . . . 0.0 111.699 -179.239 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 78.28 -45.0 2.5 Favored Glycine 0 N--CA 1.452 -0.272 0 CA-C-N 115.732 -0.667 . . . . 0.0 114.053 178.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -167.23 156.6 10.45 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.833 0.349 . . . . 0.0 111.321 -179.424 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.671 ' SG ' HG22 ' A' ' 17' ' ' VAL . 4.6 m -69.21 161.46 29.15 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.257 -0.883 . . . . 0.0 111.563 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.425 ' HE2' ' HB3' ' A' ' 12' ' ' LYS . 2.7 tmmm? -75.71 143.06 42.29 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 107.173 -1.417 . . . . 0.0 107.173 177.505 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.406 ' N ' ' HD2' ' A' ' 12' ' ' LYS . 26.8 mmm180 -48.42 105.34 0.07 Allowed 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 120.857 0.36 . . . . 0.0 111.274 -179.162 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 126.21 -23.63 5.77 Favored Glycine 0 N--CA 1.448 -0.559 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.344 -179.151 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.577 ' HA ' ' HA ' ' A' ' 30' ' ' PRO . 78.8 mt-10 -90.33 131.52 36.08 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-O 121.35 0.595 . . . . 0.0 111.11 -179.504 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 92.0 mtt180 -92.32 136.67 33.01 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.148 -0.933 . . . . 0.0 110.701 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.671 HG22 ' SG ' ' A' ' 11' ' ' CYS . 13.0 t -67.79 123.07 20.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-O 121.245 0.545 . . . . 0.0 110.846 179.756 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.413 ' NE ' ' HA ' ' A' ' 18' ' ' ARG . 7.7 tpm_? -102.97 -33.24 9.37 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.385 179.067 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -176.13 -159.37 21.71 Favored Glycine 0 N--CA 1.447 -0.616 0 CA-C-N 115.572 -0.74 . . . . 0.0 112.207 179.557 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 11.7 p -111.91 142.88 43.75 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 120.717 0.294 . . . . 0.0 111.181 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 42.7 m -97.67 -38.81 9.37 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.243 0.544 . . . . 0.0 110.725 179.404 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 171.92 -151.04 13.99 Favored Glycine 0 N--CA 1.444 -0.807 0 C-N-CA 120.716 -0.755 . . . . 0.0 112.054 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.638 ' H ' HD12 ' A' ' 23' ' ' ILE . 4.3 mp -61.55 103.64 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 120.892 0.377 . . . . 0.0 110.68 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.485 ' HA ' ' NE ' ' A' ' 24' ' ' ARG . 0.0 OUTLIER 67.96 22.93 8.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.275 -0.875 . . . . 0.0 112.133 -179.905 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 51.6 m-85 -124.15 132.11 53.6 Favored 'General case' 0 CA--C 1.512 -0.484 0 N-CA-C 109.727 -0.472 . . . . 0.0 109.727 178.793 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.8 mp -118.42 140.51 49.74 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.495 -179.452 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.552 ' CE2' ' HB2' ' A' ' 4' ' ' CYS . 1.4 t80 -91.33 110.3 21.59 Favored 'General case' 0 C--N 1.317 -0.813 0 N-CA-C 107.702 -1.222 . . . . 0.0 107.702 179.09 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 4.8 m -120.97 136.55 54.95 Favored 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 113.179 0.807 . . . . 0.0 113.179 -176.792 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.424 ' HA ' ' HD3' ' A' ' 30' ' ' PRO . 1.6 m -105.42 126.82 29.91 Favored Pre-proline 0 C--N 1.323 -0.557 0 CA-C-N 115.657 -0.702 . . . . 0.0 110.406 177.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.577 ' HA ' ' HA ' ' A' ' 15' ' ' GLU . 37.8 Cg_exo -59.65 145.96 96.66 Favored 'Trans proline' 0 C--O 1.234 0.3 0 C-N-CA 123.218 2.612 . . . . 0.0 113.161 -179.33 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 36.1 ttt85 -48.5 -47.13 39.03 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 115.002 -0.999 . . . . 0.0 112.088 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.404 ' HD2' ' OXT' ' A' ' 32' ' ' ARG . 3.1 tmm_? . . . . . 0 C--O 1.245 0.848 0 N-CA-C 108.443 -0.947 . . . . 0.0 108.443 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.711 0 N-CA-C 111.56 -0.616 . . . . 0.0 111.56 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 35.3 tp -75.63 71.04 2.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.166 0.508 . . . . 0.0 110.825 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 59.6 tp -166.85 133.41 2.36 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 108.331 -0.989 . . . . 0.0 108.331 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.597 ' HB2' ' CZ ' ' A' ' 27' ' ' TYR . 5.8 m -88.31 152.39 21.97 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-O 121.225 0.536 . . . . 0.0 110.804 -179.023 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 80.8 m-85 -136.53 146.28 46.02 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.433 -0.803 . . . . 0.0 111.074 -179.258 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 86.7 m -79.83 132.3 36.08 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 177.728 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.468 ' HG3' ' HA ' ' A' ' 11' ' ' CYS . 33.8 mmt180 -125.89 137.88 53.76 Favored 'General case' 0 C--N 1.313 -0.994 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 179.739 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.714 ' HD3' ' H ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -88.53 127.95 35.55 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-O 121.245 0.545 . . . . 0.0 110.587 -179.826 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 87.4 -52.2 4.27 Favored Glycine 0 N--CA 1.45 -0.398 0 CA-C-N 115.319 -0.855 . . . . 0.0 112.958 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -174.75 157.78 2.54 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.992 0.425 . . . . 0.0 111.096 179.539 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.644 ' SG ' HG22 ' A' ' 17' ' ' VAL . 3.2 m -69.41 164.92 21.94 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 114.973 -1.012 . . . . 0.0 112.03 -179.323 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 50.8 tptt -71.4 161.4 31.12 Favored 'General case' 0 N--CA 1.451 -0.396 0 N-CA-C 108.456 -0.942 . . . . 0.0 108.456 178.022 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 18.9 mmt85 -65.87 69.97 0.05 Allowed 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 121.104 0.478 . . . . 0.0 111.589 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 163.19 -18.11 0.14 Allowed Glycine 0 N--CA 1.441 -0.995 0 CA-C-N 115.977 -0.556 . . . . 0.0 112.325 -179.4 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.621 ' HB2' ' HB3' ' A' ' 11' ' ' CYS . 60.0 mt-10 -88.33 132.34 34.45 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-O 121.709 0.766 . . . . 0.0 111.821 -179.2 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 8.8 tpt180 -89.77 126.39 35.65 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-N 114.541 -1.209 . . . . 0.0 109.791 178.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.644 HG22 ' SG ' ' A' ' 11' ' ' CYS . 17.0 t -62.71 120.59 9.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 121.081 0.467 . . . . 0.0 110.863 -179.867 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.592 ' HD2' ' SG ' ' A' ' 29' ' ' CYS . 49.5 ttt85 -96.78 -35.45 10.96 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.417 -0.81 . . . . 0.0 109.328 179.34 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 177.82 -156.29 19.34 Favored Glycine 0 N--CA 1.448 -0.562 0 CA-C-N 115.292 -0.867 . . . . 0.0 112.458 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 12.3 p -109.62 142.53 40.62 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 120.702 0.287 . . . . 0.0 111.405 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 54.1 m -98.79 -38.39 9.08 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.363 0.602 . . . . 0.0 110.491 179.331 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 175.64 -157.39 23.71 Favored Glycine 0 N--CA 1.443 -0.889 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.612 179.705 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.516 ' O ' ' HB2' ' A' ' 24' ' ' ARG . 48.9 mm -63.3 103.15 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 120.638 0.256 . . . . 0.0 110.8 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.516 ' HB2' ' O ' ' A' ' 23' ' ' ILE . 0.0 OUTLIER 77.09 14.74 1.92 Allowed 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 115.354 -0.839 . . . . 0.0 112.616 -179.949 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 36.8 m-85 -123.51 132.17 53.84 Favored 'General case' 0 CA--C 1.513 -0.454 0 C-N-CA 120.415 -0.514 . . . . 0.0 109.631 178.649 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.0 mp -116.78 141.8 47.75 Favored 'General case' 0 C--N 1.312 -1.053 0 CA-C-N 115.5 -0.773 . . . . 0.0 109.936 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.597 ' CZ ' ' HB2' ' A' ' 4' ' ' CYS . 3.4 t80 -90.13 111.88 23.17 Favored 'General case' 0 C--N 1.317 -0.837 0 N-CA-C 107.793 -1.188 . . . . 0.0 107.793 178.855 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 4.6 m -119.44 140.62 50.14 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-O 121.163 0.506 . . . . 0.0 112.184 -177.356 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.592 ' SG ' ' HD2' ' A' ' 18' ' ' ARG . 21.0 m -112.51 120.67 40.71 Favored Pre-proline 0 C--N 1.322 -0.625 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.246 178.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.587 ' HA ' ' HA ' ' A' ' 15' ' ' GLU . 31.3 Cg_exo -59.34 144.15 99.5 Favored 'Trans proline' 0 N--CA 1.464 -0.219 0 C-N-CA 122.649 2.232 . . . . 0.0 112.059 -179.854 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 27.4 ptt180 -61.78 -23.6 66.3 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.326 -179.703 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 37.6 ptt180 . . . . . 0 C--O 1.248 1.0 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 179.155 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.893 0 N-CA-C 111.263 -0.735 . . . . 0.0 111.263 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 96.9 mt -74.09 140.05 45.03 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.895 0.348 . . . . 0.0 110.442 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 28.8 tp -80.36 54.99 2.13 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.502 0.668 . . . . 0.0 110.442 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.647 ' HB2' ' CZ ' ' A' ' 27' ' ' TYR . 33.5 m -108.55 161.24 15.25 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.549 -0.751 . . . . 0.0 109.807 -179.82 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 -134.06 137.96 44.99 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.992 0.425 . . . . 0.0 111.367 -179.165 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 84.6 m -84.78 133.13 34.36 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.237 177.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.414 ' HD2' ' HA ' ' A' ' 11' ' ' CYS . 60.1 mtt-85 -140.34 144.37 36.26 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-O 121.13 0.491 . . . . 0.0 110.458 179.842 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.413 ' HA ' ' O ' ' A' ' 24' ' ' ARG . 60.5 pttt -86.1 131.04 34.34 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.723 -179.094 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 81.49 -49.61 4.06 Favored Glycine 0 N--CA 1.451 -0.355 0 CA-C-N 115.456 -0.793 . . . . 0.0 114.507 178.679 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 26.4 p-80 -166.57 159.22 14.06 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.377 0.608 . . . . 0.0 112.208 -179.14 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.483 ' SG ' HG22 ' A' ' 17' ' ' VAL . 9.5 m -78.4 169.25 18.56 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 114.423 -1.262 . . . . 0.0 111.144 179.47 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 20.8 ttpp -90.73 146.22 24.17 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 107.899 -1.149 . . . . 0.0 107.899 177.096 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 38.1 tpt85 -46.05 105.29 0.06 Allowed 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 121.102 0.477 . . . . 0.0 111.231 -179.187 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 133.54 -34.36 2.43 Favored Glycine 0 N--CA 1.448 -0.525 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.939 -179.113 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.557 ' HA ' ' HA ' ' A' ' 30' ' ' PRO . 6.3 mt-10 -93.55 136.6 33.66 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.957 0.408 . . . . 0.0 110.68 -179.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 34.6 tpt85 -111.96 134.94 53.2 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.221 -0.445 . . . . 0.0 109.801 179.536 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.483 HG22 ' SG ' ' A' ' 11' ' ' CYS . 21.6 t -55.52 127.34 14.27 Favored 'Isoleucine or valine' 0 C--O 1.236 0.373 0 CA-C-O 121.043 0.449 . . . . 0.0 111.037 -179.401 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.653 ' HA ' ' HE ' ' A' ' 18' ' ' ARG . 3.5 mmp_? -117.84 -28.23 6.0 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.949 179.447 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -166.87 -162.17 17.83 Favored Glycine 0 N--CA 1.445 -0.708 0 C-N-CA 120.345 -0.931 . . . . 0.0 112.137 179.19 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 11.8 p -116.49 143.28 45.78 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 110.442 -0.207 . . . . 0.0 110.442 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.8 t -94.21 -41.06 9.68 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.782 0.801 . . . . 0.0 109.565 179.644 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 174.46 -155.6 21.52 Favored Glycine 0 N--CA 1.439 -1.162 0 CA-C-N 114.775 -1.102 . . . . 0.0 111.125 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.614 ' H ' HD12 ' A' ' 23' ' ' ILE . 4.3 mp -61.1 109.98 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-O 120.708 0.29 . . . . 0.0 110.686 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.467 ' HA ' ' NE ' ' A' ' 24' ' ' ARG . 14.1 mmp_? 72.47 14.94 5.21 Favored 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 113.645 0.979 . . . . 0.0 113.645 179.37 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 40.6 m-85 -127.05 132.76 50.61 Favored 'General case' 0 CA--C 1.512 -0.499 0 CA-C-N 118.826 0.739 . . . . 0.0 110.535 178.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.3 mp -110.48 143.93 40.05 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-N 115.084 -0.962 . . . . 0.0 109.653 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.647 ' CZ ' ' HB2' ' A' ' 4' ' ' CYS . 4.8 t80 -95.15 110.06 22.07 Favored 'General case' 0 C--N 1.314 -0.967 0 N-CA-C 108.109 -1.071 . . . . 0.0 108.109 179.295 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 13.5 m -108.25 139.04 43.53 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 115.576 -0.738 . . . . 0.0 112.239 -177.522 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.535 ' SG ' ' HG3' ' A' ' 18' ' ' ARG . 59.0 m -122.76 133.95 24.73 Favored Pre-proline 0 C--N 1.32 -0.708 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 178.303 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.557 ' HA ' ' HA ' ' A' ' 15' ' ' GLU . 49.8 Cg_exo -54.84 143.5 70.95 Favored 'Trans proline' 0 N--CA 1.465 -0.176 0 C-N-CA 122.459 2.106 . . . . 0.0 111.987 -179.58 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 2.1 tmm_? -61.22 -43.67 98.51 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.527 -179.135 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.246 0.907 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.597 -179.299 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.848 0 N-CA-C 112.202 -0.359 . . . . 0.0 112.202 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 93.1 mt -79.13 57.32 2.22 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.125 0.488 . . . . 0.0 111.31 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 62.8 tp -167.82 117.56 0.8 Allowed 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.277 179.787 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.562 ' HB2' ' CZ ' ' A' ' 27' ' ' TYR . 70.0 m -94.75 161.38 14.2 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.11 0.481 . . . . 0.0 110.086 -179.566 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 39.8 m-85 -130.72 140.71 50.35 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.466 -0.788 . . . . 0.0 109.43 179.035 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 93.6 m -84.44 128.32 34.52 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 121.099 0.476 . . . . 0.0 110.325 179.389 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.421 ' HE ' ' CD ' ' A' ' 15' ' ' GLU . 61.8 mtt-85 -137.11 140.78 42.15 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.112 179.555 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 25.3 pttm -84.16 132.95 34.63 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.444 -179.359 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 88.23 -52.73 4.11 Favored Glycine 0 N--CA 1.449 -0.475 0 CA-C-N 115.681 -0.69 . . . . 0.0 114.061 179.092 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.426 ' HA ' HD12 ' A' ' 26' ' ' LEU . 0.5 OUTLIER -173.28 163.44 4.57 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.122 0.487 . . . . 0.0 112.184 -179.417 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.612 ' SG ' HG22 ' A' ' 17' ' ' VAL . 3.7 m -72.14 169.47 16.01 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 114.857 -1.065 . . . . 0.0 111.171 179.625 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 50.2 tptt -74.07 161.02 30.46 Favored 'General case' 0 N--CA 1.45 -0.463 0 N-CA-C 108.174 -1.047 . . . . 0.0 108.174 177.508 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 20.4 mmm180 -66.0 70.13 0.06 Allowed 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 120.89 0.376 . . . . 0.0 111.82 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 160.63 -18.96 0.21 Allowed Glycine 0 N--CA 1.444 -0.81 0 CA-C-N 116.024 -0.535 . . . . 0.0 112.011 -179.5 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.586 ' HA ' ' HA ' ' A' ' 30' ' ' PRO . 93.6 mt-10 -84.53 141.73 30.52 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-O 121.431 0.634 . . . . 0.0 111.914 -179.264 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 36.0 mmt180 -101.62 132.73 47.14 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.238 -0.892 . . . . 0.0 109.273 178.737 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.612 HG22 ' SG ' ' A' ' 11' ' ' CYS . 17.7 t -62.98 124.85 18.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 121.075 0.464 . . . . 0.0 110.934 -179.257 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 28.7 tpt180 -101.46 -33.46 9.96 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.066 179.16 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 176.17 -160.33 28.12 Favored Glycine 0 N--CA 1.444 -0.801 0 CA-C-N 115.223 -0.898 . . . . 0.0 112.068 179.618 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 15.8 p -104.89 142.21 35.16 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-O 120.461 0.172 . . . . 0.0 110.962 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.416 ' HB3' ' CB ' ' A' ' 25' ' ' PHE . 7.9 t -90.5 -42.02 11.08 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 122.089 0.947 . . . . 0.0 108.93 178.856 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 173.0 -157.46 26.59 Favored Glycine 0 N--CA 1.438 -1.201 0 CA-C-N 114.192 -1.367 . . . . 0.0 110.558 179.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.434 ' O ' ' HB2' ' A' ' 24' ' ' ARG . 61.0 mt -61.27 109.96 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-O 120.576 0.227 . . . . 0.0 110.882 179.802 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.434 ' HB2' ' O ' ' A' ' 23' ' ' ILE . 68.3 mtp85 72.71 18.62 4.18 Favored 'General case' 0 N--CA 1.465 0.316 0 N-CA-C 113.436 0.902 . . . . 0.0 113.436 179.191 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.416 ' CB ' ' HB3' ' A' ' 21' ' ' CYS . 62.6 m-85 -132.13 132.35 43.17 Favored 'General case' 0 CA--C 1.513 -0.466 0 CA-C-N 118.611 0.641 . . . . 0.0 110.236 178.652 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.426 HD12 ' HA ' ' A' ' 10' ' ' HIS . 86.7 mt -109.5 143.53 39.01 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-N 115.206 -0.906 . . . . 0.0 110.022 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.562 ' CZ ' ' HB2' ' A' ' 4' ' ' CYS . 2.6 t80 -101.12 107.92 19.46 Favored 'General case' 0 C--N 1.315 -0.909 0 N-CA-C 107.816 -1.179 . . . . 0.0 107.816 179.173 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 6.4 m -120.06 139.36 52.65 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 113.281 0.845 . . . . 0.0 113.281 -176.793 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.408 ' HA ' ' HA ' ' A' ' 4' ' ' CYS . 1.4 m -105.98 125.74 32.39 Favored Pre-proline 0 C--N 1.326 -0.415 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.33 177.867 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.586 ' HA ' ' HA ' ' A' ' 15' ' ' GLU . 34.3 Cg_exo -61.49 145.24 98.12 Favored 'Trans proline' 0 C--O 1.235 0.34 0 C-N-CA 122.761 2.307 . . . . 0.0 111.853 179.697 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.721 ' HD3' ' N ' ' A' ' 32' ' ' ARG . 0.0 OUTLIER -43.6 -35.57 1.79 Allowed 'General case' 0 N--CA 1.471 0.607 0 O-C-N 124.18 0.925 . . . . 0.0 112.599 -179.493 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.721 ' N ' ' HD3' ' A' ' 31' ' ' ARG . 11.0 tpp180 . . . . . 0 C--O 1.245 0.847 0 N-CA-C 107.916 -1.142 . . . . 0.0 107.916 179.479 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.709 0 N-CA-C 111.774 -0.53 . . . . 0.0 111.774 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.821 HD23 ' H ' ' A' ' 2' ' ' LEU . 1.9 pt? -86.98 38.67 0.82 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.089 0.471 . . . . 0.0 110.652 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 37.9 tp -176.12 130.89 0.23 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.602 -0.726 . . . . 0.0 109.115 179.767 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.67 ' HB2' ' CZ ' ' A' ' 27' ' ' TYR . 11.8 m -110.99 158.12 19.14 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 116.601 -0.272 . . . . 0.0 110.418 -179.252 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 29.6 m-85 -133.88 157.14 46.73 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.141 -179.487 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 68.5 m -101.35 136.0 41.91 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 177.705 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.535 ' HD2' ' HA ' ' A' ' 11' ' ' CYS . 0.0 OUTLIER -132.63 156.0 47.72 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.725 179.705 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.461 ' HG2' ' CZ ' ' A' ' 25' ' ' PHE . 59.8 mttp -81.3 129.37 34.58 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.501 -179.514 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 74.56 -47.94 1.83 Allowed Glycine 0 N--CA 1.452 -0.258 0 N-CA-C 115.379 0.912 . . . . 0.0 115.379 177.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.66 ' HA ' HD12 ' A' ' 26' ' ' LEU . 0.5 OUTLIER -167.49 166.4 14.29 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 117.507 0.654 . . . . 0.0 112.481 -178.395 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.665 ' SG ' HG22 ' A' ' 17' ' ' VAL . 3.2 m -75.86 161.54 28.9 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.24 -0.891 . . . . 0.0 111.194 179.653 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.648 ' HB3' ' OE1' ' A' ' 15' ' ' GLU . 0.0 OUTLIER -84.82 148.38 26.34 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 107.402 -1.333 . . . . 0.0 107.402 176.958 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 24.3 mmt85 -46.63 111.33 0.37 Allowed 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 120.948 0.404 . . . . 0.0 111.63 -178.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 123.86 -26.3 5.94 Favored Glycine 0 N--CA 1.447 -0.591 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.719 -179.593 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.648 ' OE1' ' HB3' ' A' ' 12' ' ' LYS . 26.7 mt-10 -96.11 132.05 41.9 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-O 121.5 0.667 . . . . 0.0 111.469 -179.093 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 4.3 tpm_? -95.5 136.36 35.98 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.14 -0.936 . . . . 0.0 110.25 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.665 HG22 ' SG ' ' A' ' 11' ' ' CYS . 17.2 t -63.86 123.51 16.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 120.696 0.284 . . . . 0.0 110.608 179.62 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 4.6 tmt_? -96.54 -33.93 11.64 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 108.729 -0.841 . . . . 0.0 108.729 179.047 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 173.72 176.6 42.29 Favored Glycine 0 N--CA 1.443 -0.841 0 CA-C-N 115.17 -0.923 . . . . 0.0 111.631 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 8.2 p -76.8 141.32 40.78 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 116.597 0.198 . . . . 0.0 110.888 179.71 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.446 ' HB3' ' CB ' ' A' ' 25' ' ' PHE . 5.9 t -96.89 -43.75 7.34 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.686 0.755 . . . . 0.0 109.326 179.346 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 176.32 -157.86 23.86 Favored Glycine 0 N--CA 1.442 -0.909 0 CA-C-N 114.8 -1.091 . . . . 0.0 111.221 179.722 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.475 ' O ' ' HB2' ' A' ' 24' ' ' ARG . 48.5 mm -62.36 103.22 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-O 120.603 0.24 . . . . 0.0 110.875 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.475 ' HB2' ' O ' ' A' ' 23' ' ' ILE . 10.1 mpt_? 74.14 22.91 2.21 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 115.39 -0.823 . . . . 0.0 112.506 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.461 ' CZ ' ' HG2' ' A' ' 8' ' ' LYS . 14.8 m-85 -130.76 133.33 45.91 Favored 'General case' 0 CA--C 1.51 -0.592 0 C-N-CA 120.463 -0.495 . . . . 0.0 110.246 179.052 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.66 HD12 ' HA ' ' A' ' 10' ' ' HIS . 85.5 mt -116.76 134.48 54.74 Favored 'General case' 0 C--N 1.314 -0.966 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.131 179.393 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.67 ' CZ ' ' HB2' ' A' ' 4' ' ' CYS . 13.7 t80 -91.16 111.75 23.35 Favored 'General case' 0 C--N 1.312 -1.051 0 N-CA-C 107.443 -1.317 . . . . 0.0 107.443 178.697 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 4.7 m -121.16 145.01 48.27 Favored 'General case' 0 C--N 1.314 -0.971 0 N-CA-C 112.556 0.576 . . . . 0.0 112.556 -177.385 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.432 ' HA ' ' HD3' ' A' ' 30' ' ' PRO . 35.0 m -113.23 127.87 26.32 Favored Pre-proline 0 C--N 1.323 -0.549 0 CA-C-N 115.141 -0.936 . . . . 0.0 109.405 178.508 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.596 ' HA ' ' HA ' ' A' ' 15' ' ' GLU . 37.6 Cg_exo -62.05 142.52 92.74 Favored 'Trans proline' 0 C--O 1.235 0.328 0 C-N-CA 122.604 2.202 . . . . 0.0 111.949 -179.708 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 18.3 tpp180 -58.52 -51.18 70.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.631 -179.739 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 67.7 mtm180 . . . . . 0 C--O 1.248 0.982 0 CA-C-O 118.009 -0.996 . . . . 0.0 109.294 178.93 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.668 0 N-CA-C 111.168 -0.773 . . . . 0.0 111.168 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.405 HD22 ' HA ' ' A' ' 2' ' ' LEU . 1.5 tm? -82.2 105.78 13.55 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.192 0.52 . . . . 0.0 110.514 -179.64 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.5 pt? 179.47 133.03 0.09 Allowed 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 107.881 -1.155 . . . . 0.0 107.881 178.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.522 ' HB2' ' CZ ' ' A' ' 27' ' ' TYR . 86.2 m -88.74 157.66 18.44 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-O 121.651 0.739 . . . . 0.0 111.308 -178.108 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 46.2 m-85 -127.85 138.91 52.87 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-N 114.599 -1.182 . . . . 0.0 109.348 179.315 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 64.9 m -80.03 129.02 34.17 Favored 'General case' 0 C--N 1.317 -0.837 0 N-CA-C 109.759 -0.459 . . . . 0.0 109.759 178.471 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.415 ' HD2' ' HA ' ' A' ' 11' ' ' CYS . 27.9 mtt-85 -133.53 139.59 46.7 Favored 'General case' 0 C--N 1.312 -1.044 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.365 179.799 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 12.1 ptmm? -82.63 127.26 33.21 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.412 -0.813 . . . . 0.0 112.234 -178.729 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 86.57 -51.03 4.3 Favored Glycine 0 N--CA 1.451 -0.344 0 CA-C-N 115.612 -0.722 . . . . 0.0 113.592 178.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -174.8 164.63 3.56 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.879 0.371 . . . . 0.0 111.141 -179.753 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.616 ' SG ' HG22 ' A' ' 17' ' ' VAL . 3.4 m -70.16 160.74 31.54 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.435 -0.802 . . . . 0.0 111.019 179.696 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.498 ' HB3' ' OE1' ' A' ' 15' ' ' GLU . 20.3 ttpp -84.24 152.76 24.0 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 107.872 -1.159 . . . . 0.0 107.872 177.63 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 26.0 mmm180 -54.09 101.87 0.05 Allowed 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 140.01 -34.21 2.03 Favored Glycine 0 N--CA 1.445 -0.739 0 C-N-CA 120.99 -0.624 . . . . 0.0 112.117 -178.419 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.584 ' HA ' ' HA ' ' A' ' 30' ' ' PRO . 3.0 mp0 -93.26 135.88 34.06 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-O 121.297 0.57 . . . . 0.0 111.953 -179.626 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 58.1 mtp85 -96.87 138.77 33.9 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.126 -0.943 . . . . 0.0 109.982 178.651 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.616 HG22 ' SG ' ' A' ' 11' ' ' CYS . 13.9 t -63.97 129.09 27.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 121.161 0.505 . . . . 0.0 111.037 -179.771 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 31.4 tpt180 -111.55 -31.55 6.97 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.445 -0.798 . . . . 0.0 109.505 179.19 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -179.78 -159.58 23.89 Favored Glycine 0 N--CA 1.447 -0.627 0 CA-C-N 115.586 -0.734 . . . . 0.0 112.199 179.666 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 11.6 p -112.76 143.15 44.48 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 120.6 0.238 . . . . 0.0 111.043 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 56.1 m -96.29 -37.4 10.53 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.455 0.645 . . . . 0.0 110.448 179.422 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 171.56 -157.37 27.72 Favored Glycine 0 N--CA 1.441 -0.994 0 CA-C-N 115.261 -0.881 . . . . 0.0 111.305 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.608 ' H ' HD12 ' A' ' 23' ' ' ILE . 4.3 mp -62.67 108.43 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 N-CA-C 110.163 -0.31 . . . . 0.0 110.163 179.736 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.473 ' HB2' ' O ' ' A' ' 23' ' ' ILE . 20.2 mmt85 72.67 17.7 4.44 Favored 'General case' 0 N--CA 1.464 0.274 0 O-C-N 124.041 0.838 . . . . 0.0 113.204 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 44.1 m-85 -129.17 133.09 47.44 Favored 'General case' 0 CA--C 1.512 -0.482 0 CA-C-N 118.32 0.509 . . . . 0.0 109.962 178.454 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.2 mp -117.36 143.14 46.27 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.326 -179.419 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.522 ' CZ ' ' HB2' ' A' ' 4' ' ' CYS . 1.0 OUTLIER -94.16 110.47 22.19 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 179.297 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.3 m -119.02 135.12 54.79 Favored 'General case' 0 C--N 1.315 -0.893 0 N-CA-C 112.874 0.694 . . . . 0.0 112.874 -177.216 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.456 ' HA ' ' HD3' ' A' ' 30' ' ' PRO . 1.5 m -105.58 131.11 22.03 Favored Pre-proline 0 C--N 1.321 -0.655 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.315 177.671 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.584 ' HA ' ' HA ' ' A' ' 15' ' ' GLU . 34.4 Cg_exo -60.62 155.76 46.23 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.99 2.46 . . . . 0.0 112.124 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 81.6 mtt-85 -48.91 -40.63 30.73 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 115.784 -0.644 . . . . 0.0 112.062 -179.697 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.251 1.15 0 CA-C-O 117.96 -1.019 . . . . 0.0 109.271 179.753 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.896 0 N-CA-C 111.339 -0.704 . . . . 0.0 111.339 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 9.3 tt -167.99 143.33 3.74 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 -179.573 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 60.2 tp -159.3 126.48 4.73 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.98 0.419 . . . . 0.0 110.045 -179.711 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.662 ' HB2' ' CZ ' ' A' ' 27' ' ' TYR . 8.7 m -94.43 157.78 15.86 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.855 179.824 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 68.9 m-85 -132.27 145.92 51.64 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 120.971 0.415 . . . . 0.0 111.468 -179.103 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 90.8 m -79.83 131.47 35.89 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.225 -0.658 . . . . 0.0 109.225 177.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.538 ' HG3' ' HA ' ' A' ' 11' ' ' CYS . 35.0 mmt180 -124.82 142.11 51.66 Favored 'General case' 0 C--N 1.312 -1.038 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 25.6 pttm -86.46 126.14 34.21 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 121.286 0.565 . . . . 0.0 111.274 -179.353 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 78.29 -47.86 3.0 Favored Glycine 0 N--CA 1.451 -0.325 0 CA-C-N 115.499 -0.773 . . . . 0.0 113.856 179.415 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 30.1 p-80 -167.16 156.85 10.79 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.874 0.369 . . . . 0.0 111.127 -179.765 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.595 ' SG ' HG22 ' A' ' 17' ' ' VAL . 3.6 m -70.61 163.3 27.29 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.051 -0.977 . . . . 0.0 111.318 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 23.8 tptm -72.36 147.59 46.12 Favored 'General case' 0 N--CA 1.447 -0.607 0 N-CA-C 107.368 -1.345 . . . . 0.0 107.368 177.006 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 29.8 tpt180 -56.14 92.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.955 0.407 . . . . 0.0 110.402 -179.518 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.466 ' O ' ' HG2' ' A' ' 31' ' ' ARG . . . 146.12 -27.56 1.71 Allowed Glycine 0 N--CA 1.443 -0.861 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.931 -178.639 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.59 ' HB2' ' HB3' ' A' ' 11' ' ' CYS . 59.7 mt-10 -84.69 135.19 34.26 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-O 121.626 0.727 . . . . 0.0 111.686 -179.484 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.51 126.81 37.76 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-N 114.747 -1.115 . . . . 0.0 109.029 179.149 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.595 HG22 ' SG ' ' A' ' 11' ' ' CYS . 17.8 t -59.94 123.48 12.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 121.048 0.452 . . . . 0.0 111.155 -179.639 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.448 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 43.7 tpt85 -101.46 -33.05 10.12 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.617 -0.72 . . . . 0.0 109.718 179.495 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 175.03 -155.02 19.77 Favored Glycine 0 N--CA 1.447 -0.614 0 CA-C-N 115.49 -0.777 . . . . 0.0 112.327 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.414 ' HA ' ' HA ' ' A' ' 26' ' ' LEU . 10.7 p -111.81 143.22 43.1 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 120.607 0.241 . . . . 0.0 111.08 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 51.4 m -98.34 -38.34 9.28 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.364 0.602 . . . . 0.0 110.369 179.337 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 172.57 -155.96 24.2 Favored Glycine 0 N--CA 1.44 -1.035 0 CA-C-N 115.306 -0.861 . . . . 0.0 111.445 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.469 ' O ' ' HB2' ' A' ' 24' ' ' ARG . 62.2 mt -61.38 108.01 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-O 120.66 0.267 . . . . 0.0 110.765 179.771 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.48 ' HA ' ' NE ' ' A' ' 24' ' ' ARG . 13.5 mmp_? 72.68 14.02 5.14 Favored 'General case' 0 N--CA 1.466 0.361 0 N-CA-C 113.321 0.86 . . . . 0.0 113.321 179.561 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 40.1 m-85 -127.48 134.04 49.85 Favored 'General case' 0 CA--C 1.513 -0.463 0 C-N-CA 120.076 -0.65 . . . . 0.0 110.342 178.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.414 ' HA ' ' HA ' ' A' ' 20' ' ' THR . 5.1 mp -117.5 143.68 45.82 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 115.198 -0.91 . . . . 0.0 109.684 -179.864 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.662 ' CZ ' ' HB2' ' A' ' 4' ' ' CYS . 3.1 t80 -89.96 114.37 26.19 Favored 'General case' 0 C--N 1.316 -0.873 0 N-CA-C 108.01 -1.108 . . . . 0.0 108.01 179.208 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.8 m -120.56 139.48 52.88 Favored 'General case' 0 C--N 1.312 -1.05 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.936 -177.672 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.448 ' SG ' ' HB2' ' A' ' 18' ' ' ARG . 21.6 m -111.62 122.22 37.88 Favored Pre-proline 0 C--N 1.32 -0.687 0 CA-C-N 115.745 -0.661 . . . . 0.0 109.703 179.267 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.549 ' HA ' ' HA ' ' A' ' 15' ' ' GLU . 31.3 Cg_exo -59.02 144.82 99.2 Favored 'Trans proline' 0 N--CA 1.465 -0.153 0 C-N-CA 122.434 2.09 . . . . 0.0 111.379 179.773 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.466 ' HG2' ' O ' ' A' ' 14' ' ' GLY . 2.6 ptm180 -73.62 11.81 0.75 Allowed 'General case' 0 CA--C 1.538 0.514 0 N-CA-C 112.396 0.517 . . . . 0.0 112.396 -179.033 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.255 1.354 0 C-N-CA 123.09 0.556 . . . . 0.0 111.197 179.678 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.839 0 N-CA-C 111.327 -0.709 . . . . 0.0 111.327 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.419 HD22 ' HA ' ' A' ' 2' ' ' LEU . 1.4 tm? -84.33 103.51 13.57 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.239 0.543 . . . . 0.0 110.855 -179.64 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.6 pt? 179.09 129.31 0.07 Allowed 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 114.616 -1.175 . . . . 0.0 107.829 178.742 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.62 ' HB2' ' CZ ' ' A' ' 27' ' ' TYR . 83.1 m -89.42 156.7 18.51 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.552 0.691 . . . . 0.0 111.35 -178.017 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 17.1 m-85 -129.0 138.9 52.22 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 114.7 -1.136 . . . . 0.0 109.237 178.626 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 69.9 m -84.02 126.5 33.11 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.009 0.433 . . . . 0.0 110.247 178.701 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.612 ' HD2' ' HA ' ' A' ' 11' ' ' CYS . 43.3 mtt-85 -136.11 143.2 44.43 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.55 179.115 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.51 ' HA ' ' O ' ' A' ' 24' ' ' ARG . 18.8 ptpt -82.87 131.48 35.19 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.817 -0.629 . . . . 0.0 112.378 -178.583 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 76.18 -50.22 2.7 Favored Glycine 0 C--O 1.227 -0.308 0 CA-C-N 115.35 -0.841 . . . . 0.0 114.271 178.642 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 26.1 p-80 -169.31 160.9 9.76 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.094 0.473 . . . . 0.0 111.034 -179.276 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.612 ' HA ' ' HD2' ' A' ' 7' ' ' ARG . 90.3 m -100.87 -176.86 3.29 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 114.977 -1.01 . . . . 0.0 110.441 179.441 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.406 ' HG2' ' CD ' ' A' ' 15' ' ' GLU . 7.7 ptpp? -78.29 163.1 26.02 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.755 -0.378 . . . . 0.0 110.288 -179.11 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.763 ' HD2' ' H ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -69.15 53.86 0.1 Allowed 'General case' 0 N--CA 1.471 0.619 0 CA-C-O 122.09 0.948 . . . . 0.0 110.952 179.48 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.465 ' HA2' ' CZ ' ' A' ' 31' ' ' ARG . . . -166.24 -30.36 0.02 OUTLIER Glycine 0 N--CA 1.44 -1.035 0 CA-C-N 114.689 -1.141 . . . . 0.0 110.836 -179.706 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.566 ' HB2' ' HB3' ' A' ' 11' ' ' CYS . 29.7 mt-10 -87.86 125.49 34.51 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-O 121.342 0.591 . . . . 0.0 109.713 179.106 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.5 ptp180 -97.64 131.98 43.7 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-N 115.221 -0.9 . . . . 0.0 110.023 -178.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 39.4 t -64.23 122.61 15.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-O 121.017 0.437 . . . . 0.0 110.88 -179.333 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 62.7 ttt-85 -105.4 -28.7 10.7 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.663 179.586 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -172.52 -169.83 35.62 Favored Glycine 0 N--CA 1.445 -0.735 0 C-N-CA 120.614 -0.803 . . . . 0.0 112.2 179.726 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 16.4 p -103.5 142.3 34.51 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 120.532 0.206 . . . . 0.0 110.911 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.434 ' SG ' ' HB2' ' A' ' 27' ' ' TYR . 62.4 m -96.69 -37.92 10.13 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.523 0.678 . . . . 0.0 110.296 179.425 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 170.96 -158.07 29.38 Favored Glycine 0 N--CA 1.44 -1.034 0 CA-C-N 115.196 -0.911 . . . . 0.0 111.162 179.83 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.51 ' O ' ' HB2' ' A' ' 24' ' ' ARG . 60.3 mt -62.16 106.85 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-O 120.532 0.206 . . . . 0.0 110.628 179.758 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.51 ' O ' ' HA ' ' A' ' 8' ' ' LYS . 51.8 mmt-85 74.51 17.6 3.04 Favored 'General case' 0 N--CA 1.464 0.264 0 N-CA-C 113.16 0.8 . . . . 0.0 113.16 179.692 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 55.5 m-85 -127.6 132.16 49.84 Favored 'General case' 0 CA--C 1.514 -0.431 0 C-N-CA 120.035 -0.666 . . . . 0.0 110.71 178.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -113.26 141.86 46.5 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 115.139 -0.937 . . . . 0.0 110.136 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.62 ' CZ ' ' HB2' ' A' ' 4' ' ' CYS . 2.6 t80 -98.94 105.35 17.48 Favored 'General case' 0 C--N 1.315 -0.902 0 N-CA-C 108.515 -0.92 . . . . 0.0 108.515 179.59 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.2 m -114.4 139.33 49.58 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 113.549 0.944 . . . . 0.0 113.549 -177.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.419 ' SG ' ' N ' ' A' ' 4' ' ' CYS . 1.7 m -110.05 129.52 23.85 Favored Pre-proline 0 C--N 1.322 -0.59 0 CA-C-N 115.167 -0.924 . . . . 0.0 109.129 176.461 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.541 ' HA ' ' HA ' ' A' ' 15' ' ' GLU . 54.0 Cg_exo -52.3 150.91 18.77 Favored 'Trans proline' 0 C--O 1.234 0.298 0 C-N-CA 123.221 2.614 . . . . 0.0 112.481 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.465 ' CZ ' ' HA2' ' A' ' 14' ' ' GLY . 90.4 mtm-85 -58.91 -30.83 68.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.391 -179.529 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 54.2 ttp180 . . . . . 0 C--O 1.249 1.029 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 179.413 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.92 0 N-CA-C 111.238 -0.745 . . . . 0.0 111.238 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -163.7 147.55 10.27 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 -179.685 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.6 pp -167.7 139.42 3.05 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.592 ' HB2' ' CZ ' ' A' ' 27' ' ' TYR . 39.8 m -141.63 161.83 36.97 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.607 -179.369 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 37.7 m-85 -140.9 140.09 34.47 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.868 0.366 . . . . 0.0 111.56 -179.024 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 90.4 m -80.66 131.99 35.54 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 177.206 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.536 ' HD2' ' HA ' ' A' ' 11' ' ' CYS . 66.6 mtt-85 -136.12 143.79 44.74 Favored 'General case' 0 C--N 1.313 -0.993 0 CA-C-O 121.21 0.528 . . . . 0.0 111.063 -179.859 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.472 ' HB2' ' CE2' ' A' ' 25' ' ' PHE . 37.4 ttpt -87.88 124.86 34.1 Favored 'General case' 0 C--N 1.315 -0.908 0 CA-C-N 115.262 -0.881 . . . . 0.0 112.098 -178.562 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 82.24 -45.06 3.28 Favored Glycine 0 N--CA 1.451 -0.337 0 N-CA-C 115.232 0.853 . . . . 0.0 115.232 177.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 31.3 p-80 -165.15 158.13 16.3 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 117.692 0.746 . . . . 0.0 112.537 -178.629 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.566 ' SG ' HG22 ' A' ' 17' ' ' VAL . 15.1 m -87.85 170.92 10.77 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 114.645 -1.161 . . . . 0.0 110.808 179.186 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.45 ' HG2' ' N ' ' A' ' 13' ' ' ARG . 13.4 ttmt -71.66 155.41 40.54 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.598 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.45 ' N ' ' HG2' ' A' ' 12' ' ' LYS . 38.7 mmt180 -67.63 62.17 0.07 Allowed 'General case' 0 N--CA 1.469 0.475 0 CA-C-O 121.481 0.658 . . . . 0.0 111.077 179.648 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 175.87 -24.17 0.06 OUTLIER Glycine 0 N--CA 1.441 -1.029 0 CA-C-N 115.371 -0.831 . . . . 0.0 111.73 -179.178 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.607 ' HA ' ' HA ' ' A' ' 30' ' ' PRO . 41.5 mt-10 -93.8 131.53 39.08 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-O 121.273 0.559 . . . . 0.0 110.803 -179.839 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 4.1 ptm180 -94.99 140.44 29.95 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 115.182 -0.917 . . . . 0.0 110.16 179.645 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.566 HG22 ' SG ' ' A' ' 11' ' ' CYS . 23.2 t -66.53 119.6 12.13 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 CA-C-O 120.973 0.416 . . . . 0.0 111.066 -179.811 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 34.8 ttm180 -91.37 -37.2 13.38 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 108.32 -0.993 . . . . 0.0 108.32 177.767 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -175.69 -158.62 19.89 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.261 -0.971 . . . . 0.0 112.724 179.527 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 11.5 p -105.61 142.62 35.04 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 120.657 0.265 . . . . 0.0 111.292 -179.79 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 37.8 m -99.31 -37.63 9.18 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.343 0.592 . . . . 0.0 110.706 179.538 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 175.59 -159.51 27.37 Favored Glycine 0 N--CA 1.442 -0.955 0 CA-C-N 115.497 -0.774 . . . . 0.0 111.501 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.48 ' O ' ' HB2' ' A' ' 24' ' ' ARG . 60.2 mt -62.21 103.14 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-O 120.54 0.21 . . . . 0.0 110.837 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.48 ' HB2' ' O ' ' A' ' 23' ' ' ILE . 65.6 mtp180 76.19 18.34 1.94 Allowed 'General case' 0 N--CA 1.467 0.383 0 O-C-N 124.231 0.957 . . . . 0.0 112.935 179.59 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.472 ' CE2' ' HB2' ' A' ' 8' ' ' LYS . 57.7 m-85 -127.53 132.98 49.83 Favored 'General case' 0 CA--C 1.514 -0.438 0 CA-C-N 118.217 0.462 . . . . 0.0 109.868 178.373 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.3 mp -115.0 144.36 43.73 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.21 -179.304 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.592 ' CZ ' ' HB2' ' A' ' 4' ' ' CYS . 7.0 t80 -92.67 108.79 20.25 Favored 'General case' 0 C--N 1.315 -0.891 0 N-CA-C 108.037 -1.097 . . . . 0.0 108.037 179.182 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 3.7 m -110.0 144.26 38.81 Favored 'General case' 0 C--N 1.319 -0.74 0 O-C-N 123.782 0.676 . . . . 0.0 112.184 -177.615 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 33.2 m -127.6 128.32 23.96 Favored Pre-proline 0 C--N 1.324 -0.542 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.395 178.723 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.607 ' HA ' ' HA ' ' A' ' 15' ' ' GLU . 44.9 Cg_exo -59.4 146.28 95.38 Favored 'Trans proline' 0 C--O 1.232 0.225 0 C-N-CA 122.958 2.439 . . . . 0.0 112.417 -179.605 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 95.4 mtm-85 -67.38 -34.14 76.66 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.078 179.702 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 40.2 tpt85 . . . . . 0 C--O 1.25 1.126 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 179.881 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.885 0 N-CA-C 111.259 -0.736 . . . . 0.0 111.259 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 7.6 mp -71.47 138.15 48.77 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.825 0.312 . . . . 0.0 110.174 179.394 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.845 ' H ' HD23 ' A' ' 3' ' ' LEU . 1.5 pt? -81.95 58.95 4.1 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.097 -179.677 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.566 ' HB2' ' CZ ' ' A' ' 27' ' ' TYR . 7.0 m -87.69 151.29 23.04 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.166 0.508 . . . . 0.0 110.246 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 73.3 m-85 -139.95 149.2 43.0 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.617 -0.72 . . . . 0.0 111.901 -178.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 97.8 m -83.65 132.58 34.87 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.353 -0.84 . . . . 0.0 109.389 177.742 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 54.7 mtt-85 -137.86 141.48 40.73 Favored 'General case' 0 C--N 1.313 -0.998 0 CA-C-O 121.067 0.461 . . . . 0.0 110.343 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.548 ' HD3' ' O ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -83.39 132.17 35.0 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.576 -0.738 . . . . 0.0 112.633 -178.687 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 83.57 -52.43 4.72 Favored Glycine 0 N--CA 1.451 -0.356 0 CA-C-N 115.205 -0.907 . . . . 0.0 114.642 178.374 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -169.54 161.77 9.73 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.126 0.488 . . . . 0.0 112.12 -179.1 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.608 ' SG ' HG22 ' A' ' 17' ' ' VAL . 7.5 m -77.59 167.79 21.04 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 114.886 -1.052 . . . . 0.0 111.506 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.478 ' HG2' ' N ' ' A' ' 13' ' ' ARG . 8.7 ttmt -71.19 154.9 41.33 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 107.918 -1.141 . . . . 0.0 107.918 177.327 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.478 ' N ' ' HG2' ' A' ' 12' ' ' LYS . 23.7 mmm180 -65.2 69.64 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 121.019 0.438 . . . . 0.0 111.564 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.408 ' N ' ' O ' ' A' ' 12' ' ' LYS . . . 166.18 -23.94 0.14 Allowed Glycine 0 N--CA 1.443 -0.844 0 CA-C-N 115.747 -0.661 . . . . 0.0 111.868 -179.246 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.59 ' HA ' ' HA ' ' A' ' 30' ' ' PRO . 51.3 mt-10 -90.31 136.76 32.85 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-O 121.43 0.633 . . . . 0.0 110.999 -179.65 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -94.36 134.22 37.09 Favored 'General case' 0 C--N 1.313 -0.998 0 CA-C-N 114.951 -1.022 . . . . 0.0 110.219 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.608 HG22 ' SG ' ' A' ' 11' ' ' CYS . 15.9 t -62.28 120.8 9.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 120.92 0.391 . . . . 0.0 110.473 179.62 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.443 ' HD2' ' HD2' ' A' ' 27' ' ' TYR . 0.0 OUTLIER -95.52 -33.84 12.27 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 179.414 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 178.96 -160.36 25.92 Favored Glycine 0 N--CA 1.447 -0.615 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.463 179.802 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 14.3 p -106.38 142.85 35.36 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 120.656 0.265 . . . . 0.0 111.082 -179.82 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.473 ' SG ' ' HB2' ' A' ' 27' ' ' TYR . 56.9 m -100.9 -36.42 9.06 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.33 0.586 . . . . 0.0 110.415 179.393 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 173.28 -162.44 33.64 Favored Glycine 0 N--CA 1.439 -1.13 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.288 179.728 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.505 ' O ' ' HB2' ' A' ' 24' ' ' ARG . 60.3 mt -64.13 103.88 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 N-CA-C 110.589 -0.152 . . . . 0.0 110.589 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.505 ' HB2' ' O ' ' A' ' 23' ' ' ILE . 67.1 mtm180 81.41 15.44 0.55 Allowed 'General case' 0 N--CA 1.469 0.505 0 O-C-N 124.447 1.092 . . . . 0.0 112.642 179.668 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 61.6 m-85 -128.63 132.15 48.12 Favored 'General case' 0 CA--C 1.516 -0.361 0 C-N-CA 120.334 -0.546 . . . . 0.0 110.289 179.064 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 83.1 mt -115.69 143.6 45.13 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.386 -179.725 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.566 ' CZ ' ' HB2' ' A' ' 4' ' ' CYS . 6.4 t80 -94.65 111.72 23.49 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 107.861 -1.163 . . . . 0.0 107.861 178.855 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 4.2 m -115.88 140.62 49.05 Favored 'General case' 0 C--N 1.315 -0.916 0 N-CA-C 112.813 0.672 . . . . 0.0 112.813 -177.457 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.44 ' HA ' ' HD3' ' A' ' 30' ' ' PRO . 60.8 m -113.71 125.15 29.92 Favored Pre-proline 0 C--N 1.323 -0.574 0 CA-C-N 115.305 -0.861 . . . . 0.0 108.903 178.439 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.59 ' HA ' ' HA ' ' A' ' 15' ' ' GLU . 33.6 Cg_exo -62.39 143.78 94.04 Favored 'Trans proline' 0 CA--C 1.52 -0.183 0 C-N-CA 122.833 2.355 . . . . 0.0 112.977 -179.187 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 47.4 ttm-85 -67.46 -35.51 79.35 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.832 179.45 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.021 0 N-CA-C 108.154 -1.054 . . . . 0.0 108.154 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.856 0 N-CA-C 111.073 -0.811 . . . . 0.0 111.073 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 7.2 mp -69.02 144.26 54.1 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 110.052 -0.351 . . . . 0.0 110.052 179.207 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.417 ' O ' ' HD2' ' A' ' 30' ' ' PRO . 48.4 tp -163.85 124.79 2.25 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 -179.699 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.64 ' HB2' ' CZ ' ' A' ' 27' ' ' TYR . 11.5 m -146.09 158.56 43.88 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 -179.588 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 82.5 m-85 -139.33 147.56 41.73 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.866 0.365 . . . . 0.0 111.383 -179.279 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 90.8 m -79.39 130.56 35.55 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 177.801 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.577 ' HG3' ' HA ' ' A' ' 11' ' ' CYS . 34.8 mmt180 -123.77 144.62 49.58 Favored 'General case' 0 C--N 1.312 -1.036 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.73 -179.77 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 7.1 ptpp? -91.34 122.43 33.94 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-O 121.152 0.501 . . . . 0.0 111.457 -179.51 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 75.83 -42.08 1.53 Allowed Glycine 0 C--O 1.227 -0.316 0 CA-C-N 115.58 -0.736 . . . . 0.0 114.186 179.169 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 27.9 p-80 -164.59 154.35 13.8 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.048 0.451 . . . . 0.0 111.52 -179.134 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.6 ' HB3' ' HB2' ' A' ' 15' ' ' GLU . 3.9 m -75.67 164.52 26.21 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 114.8 -1.091 . . . . 0.0 110.57 179.353 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.492 ' HG2' ' CD ' ' A' ' 15' ' ' GLU . 17.4 pttm -76.76 152.95 35.43 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 107.485 -1.302 . . . . 0.0 107.485 177.646 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 23.0 mmt85 -50.83 102.24 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.916 0.389 . . . . 0.0 111.415 -178.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 130.01 -30.51 3.51 Favored Glycine 0 N--CA 1.443 -0.841 0 C-N-CA 120.403 -0.903 . . . . 0.0 113.638 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.612 ' HA ' ' HA ' ' A' ' 30' ' ' PRO . 76.8 mt-10 -79.88 133.54 36.25 Favored 'General case' 0 CA--C 1.512 -0.484 0 CA-C-O 121.652 0.739 . . . . 0.0 112.085 -178.849 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 7.4 mpt_? -94.86 133.68 38.32 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 114.573 -1.194 . . . . 0.0 110.247 179.229 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.485 HG22 ' SG ' ' A' ' 11' ' ' CYS . 25.4 t -64.02 120.18 10.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 121.315 0.579 . . . . 0.0 111.03 -179.503 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.454 ' NE ' ' HA ' ' A' ' 18' ' ' ARG . 7.5 tpm_? -96.82 -35.44 10.94 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.556 -0.747 . . . . 0.0 109.324 179.084 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -179.98 -156.73 18.67 Favored Glycine 0 N--CA 1.447 -0.597 0 CA-C-N 115.394 -0.821 . . . . 0.0 112.315 179.746 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 11.2 p -109.5 143.05 39.67 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 120.57 0.224 . . . . 0.0 111.136 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 31.8 m -98.49 -38.42 9.19 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.489 0.661 . . . . 0.0 110.328 179.41 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 172.32 -157.94 28.0 Favored Glycine 0 N--CA 1.44 -1.058 0 CA-C-N 115.27 -0.877 . . . . 0.0 111.282 179.761 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.614 ' H ' HD12 ' A' ' 23' ' ' ILE . 4.3 mp -62.48 109.54 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 110.409 -0.219 . . . . 0.0 110.409 179.804 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.427 ' HB2' ' O ' ' A' ' 23' ' ' ILE . 69.3 mtp85 72.98 18.26 4.0 Favored 'General case' 0 CA--C 1.532 0.283 0 O-C-N 124.05 0.844 . . . . 0.0 112.991 179.585 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 71.8 m-85 -133.44 133.4 42.28 Favored 'General case' 0 CA--C 1.514 -0.442 0 CA-C-N 118.325 0.511 . . . . 0.0 110.345 178.681 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.2 mp -118.91 142.63 47.59 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.444 -0.798 . . . . 0.0 109.629 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.64 ' CZ ' ' HB2' ' A' ' 4' ' ' CYS . 3.1 t80 -88.0 109.69 20.02 Favored 'General case' 0 C--N 1.316 -0.891 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 179.388 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 9.4 m -113.95 135.98 53.4 Favored 'General case' 0 C--N 1.313 -0.983 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.574 -178.413 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.437 ' SG ' ' HB2' ' A' ' 18' ' ' ARG . 46.5 m -106.46 120.62 47.94 Favored Pre-proline 0 C--N 1.315 -0.899 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 178.538 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.612 ' HA ' ' HA ' ' A' ' 15' ' ' GLU . 35.0 Cg_exo -61.41 142.91 97.06 Favored 'Trans proline' 0 N--CA 1.461 -0.436 0 C-N-CA 122.482 2.122 . . . . 0.0 111.524 -179.659 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 40.6 ttp85 -70.45 -22.73 62.66 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 179.562 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 3.0 ptm180 . . . . . 0 C--O 1.246 0.901 0 CA-C-N 114.253 -1.34 . . . . 0.0 107.8 179.196 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.829 0 N-CA-C 111.522 -0.631 . . . . 0.0 111.522 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.436 HD22 ' HA ' ' A' ' 2' ' ' LEU . 1.2 tm? -134.39 107.02 7.37 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.155 0.502 . . . . 0.0 110.153 179.582 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 45.0 tp 178.86 118.64 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 114.751 -1.113 . . . . 0.0 108.241 179.571 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.669 ' HB2' ' CZ ' ' A' ' 27' ' ' TYR . 12.2 m -89.82 155.25 19.29 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 121.031 0.443 . . . . 0.0 111.007 -178.745 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 32.9 m-85 -136.26 142.45 43.98 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.514 -178.649 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 67.5 m -84.51 133.93 34.45 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 177.298 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.528 ' HB2' ' SG ' ' A' ' 11' ' ' CYS . 2.4 mpt_? -134.63 160.12 39.1 Favored 'General case' 0 C--N 1.312 -1.039 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.977 178.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 57.4 pttt -105.1 123.16 47.33 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.219 0.533 . . . . 0.0 111.432 -179.594 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 75.84 -43.8 1.71 Allowed Glycine 0 CA--C 1.519 0.302 0 CA-C-N 115.747 -0.66 . . . . 0.0 114.157 179.22 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 28.8 p-80 -163.35 156.73 19.24 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.951 0.405 . . . . 0.0 111.121 -179.383 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.582 ' HB3' ' HB2' ' A' ' 15' ' ' GLU . 90.7 m -102.93 -178.56 3.7 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 115.088 -0.96 . . . . 0.0 111.047 179.756 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.463 ' HD3' ' OE2' ' A' ' 15' ' ' GLU . 28.9 mtpp -76.04 160.58 29.66 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.683 -179.422 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -68.48 62.28 0.1 Allowed 'General case' 0 N--CA 1.47 0.55 0 CA-C-O 121.834 0.826 . . . . 0.0 110.957 179.365 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.58 ' HA2' ' NH1' ' A' ' 31' ' ' ARG . . . 179.47 -29.29 0.06 OUTLIER Glycine 0 N--CA 1.438 -1.209 0 CA-C-N 115.011 -0.995 . . . . 0.0 110.827 -179.071 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.582 ' HB2' ' HB3' ' A' ' 11' ' ' CYS . 37.0 mt-10 -84.61 125.06 32.13 Favored 'General case' 0 N--CA 1.443 -0.803 0 CA-C-O 121.471 0.653 . . . . 0.0 110.0 179.472 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.476 ' NH1' ' HB3' ' A' ' 16' ' ' ARG . 16.4 ttp-105 -100.0 127.75 46.17 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 115.03 -0.986 . . . . 0.0 110.082 -179.281 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 36.3 t -57.87 125.34 13.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-O 121.366 0.603 . . . . 0.0 111.595 -179.352 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.567 ' HD2' ' SG ' ' A' ' 29' ' ' CYS . 34.4 ttt-85 -106.56 -32.96 7.83 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.12 -0.945 . . . . 0.0 109.407 179.224 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -176.21 -160.31 23.35 Favored Glycine 0 N--CA 1.447 -0.633 0 CA-C-N 115.325 -0.852 . . . . 0.0 112.265 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 7.9 p -107.38 144.71 33.88 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 120.741 0.305 . . . . 0.0 111.372 -179.697 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 56.9 m -98.85 -37.71 9.33 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.46 0.648 . . . . 0.0 110.199 179.304 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 172.27 -157.6 27.47 Favored Glycine 0 N--CA 1.441 -0.995 0 CA-C-N 115.211 -0.904 . . . . 0.0 111.178 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.467 ' O ' ' HB2' ' A' ' 24' ' ' ARG . 62.6 mt -62.42 109.81 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-O 120.557 0.217 . . . . 0.0 110.512 179.663 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.467 ' HB2' ' O ' ' A' ' 23' ' ' ILE . 85.7 mtt-85 73.38 14.51 4.43 Favored 'General case' 0 N--CA 1.466 0.338 0 O-C-N 123.976 0.798 . . . . 0.0 113.119 179.628 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.401 ' HA ' ' O ' ' A' ' 7' ' ' ARG . 42.8 m-85 -129.32 135.92 49.37 Favored 'General case' 0 CA--C 1.514 -0.424 0 CA-C-N 118.526 0.603 . . . . 0.0 110.649 179.123 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.501 ' N ' HD13 ' A' ' 26' ' ' LEU . 0.0 OUTLIER -121.72 146.11 47.36 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.439 -0.801 . . . . 0.0 110.059 179.379 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.669 ' CZ ' ' HB2' ' A' ' 4' ' ' CYS . 2.6 t80 -96.37 111.98 23.88 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.715 -178.631 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 83.6 m -111.31 145.33 39.0 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-O 121.225 0.536 . . . . 0.0 112.165 -179.551 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.567 ' SG ' ' HD2' ' A' ' 18' ' ' ARG . 20.1 m -120.48 132.94 23.98 Favored Pre-proline 0 C--N 1.317 -0.835 0 N-CA-C 108.348 -0.982 . . . . 0.0 108.348 177.694 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_exo -50.6 149.51 13.51 Favored 'Trans proline' 0 C--O 1.237 0.445 0 C-N-CA 123.231 2.621 . . . . 0.0 113.496 -178.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.58 ' NH1' ' HA2' ' A' ' 14' ' ' GLY . 22.3 ptt-85 -65.22 -33.94 77.2 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.553 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.438 ' HD3' ' HA ' ' A' ' 32' ' ' ARG . 31.4 mmt-85 . . . . . 0 C--O 1.25 1.091 0 CA-C-O 117.989 -1.005 . . . . 0.0 108.884 179.433 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.92 0 N-CA-C 111.115 -0.794 . . . . 0.0 111.115 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 7.2 mp -69.14 138.47 54.22 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.85 0.325 . . . . 0.0 110.157 179.216 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 27.2 tp -163.43 54.04 0.17 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.648 0.737 . . . . 0.0 109.674 -179.674 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.567 ' HB2' ' CZ ' ' A' ' 27' ' ' TYR . 28.4 m -104.3 157.32 17.22 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.483 -0.78 . . . . 0.0 110.439 -179.662 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 31.4 m-85 -132.6 139.73 47.92 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.448 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.471 ' SG ' ' HB3' ' A' ' 25' ' ' PHE . 43.5 t -90.03 140.83 29.26 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 108.186 -1.042 . . . . 0.0 108.186 178.056 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 50.9 mtt-85 -141.0 146.83 37.78 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.111 0.481 . . . . 0.0 111.401 -178.253 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.513 ' HA ' ' O ' ' A' ' 24' ' ' ARG . 5.8 ptmm? -91.84 113.56 25.86 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.324 -0.853 . . . . 0.0 111.452 -179.872 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 108.9 -55.45 0.51 Allowed Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.895 -0.669 . . . . 0.0 113.453 178.73 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -176.29 161.77 2.33 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.947 0.403 . . . . 0.0 111.475 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.53 ' HB3' ' HB2' ' A' ' 15' ' ' GLU . 4.2 m -75.53 164.52 26.26 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.158 -0.928 . . . . 0.0 111.064 179.791 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 28.0 mtpp -78.89 162.63 25.9 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.34 177.668 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 39.0 mmt180 -67.52 67.29 0.09 Allowed 'General case' 0 N--CA 1.467 0.418 0 CA-C-O 121.166 0.508 . . . . 0.0 110.99 179.514 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.623 ' O ' ' HG2' ' A' ' 31' ' ' ARG . . . 175.25 -26.42 0.07 OUTLIER Glycine 0 N--CA 1.443 -0.865 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.362 -179.089 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.623 ' HA ' ' HA ' ' A' ' 30' ' ' PRO . 16.5 mt-10 -90.52 152.17 21.04 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-O 121.171 0.51 . . . . 0.0 111.705 -179.878 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.434 ' CZ ' ' HA ' ' A' ' 31' ' ' ARG . 8.2 ptp180 -113.54 139.49 48.94 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 108.035 -1.098 . . . . 0.0 108.035 179.112 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.425 HG22 ' SG ' ' A' ' 11' ' ' CYS . 23.7 t -67.24 122.21 17.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-O 121.012 0.434 . . . . 0.0 110.979 -178.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.556 ' HD2' ' O ' ' A' ' 18' ' ' ARG . 4.7 tmm_? -98.98 -35.82 9.94 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 108.449 -0.945 . . . . 0.0 108.449 179.083 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 179.87 -178.48 48.58 Favored Glycine 0 N--CA 1.444 -0.8 0 CA-C-N 115.191 -0.913 . . . . 0.0 111.655 179.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.407 ' HA ' ' HA ' ' A' ' 26' ' ' LEU . 7.2 p -99.75 142.43 31.23 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-O 120.57 0.224 . . . . 0.0 111.312 179.839 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.462 ' HB2' ' CB ' ' A' ' 25' ' ' PHE . 90.7 m -87.73 -44.53 11.09 Favored 'General case' 0 CA--C 1.514 -0.438 0 CA-C-O 121.894 0.854 . . . . 0.0 109.239 178.732 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 171.52 -152.35 17.6 Favored Glycine 0 N--CA 1.439 -1.166 0 CA-C-N 114.311 -1.313 . . . . 0.0 111.064 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.671 ' H ' HD12 ' A' ' 23' ' ' ILE . 4.5 mp -60.11 106.76 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-O 120.731 0.3 . . . . 0.0 111.062 -179.827 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.513 ' O ' ' HA ' ' A' ' 8' ' ' LYS . 76.6 mtt85 72.94 18.54 3.98 Favored 'General case' 0 N--CA 1.467 0.419 0 N-CA-C 113.795 1.035 . . . . 0.0 113.795 179.032 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.512 ' CE2' ' HB3' ' A' ' 8' ' ' LYS . 33.1 m-85 -134.54 138.38 44.59 Favored 'General case' 0 CA--C 1.516 -0.365 0 CA-C-N 118.898 0.772 . . . . 0.0 109.866 178.554 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.427 ' N ' HD23 ' A' ' 26' ' ' LEU . 1.1 pt? -134.98 142.95 46.59 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.188 0.518 . . . . 0.0 110.369 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.567 ' CZ ' ' HB2' ' A' ' 4' ' ' CYS . 2.5 t80 -91.46 114.67 27.26 Favored 'General case' 0 C--O 1.242 0.67 0 CA-C-N 115.433 -0.803 . . . . 0.0 109.291 -179.492 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 6.1 m -113.8 141.48 47.26 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.419 -0.809 . . . . 0.0 112.163 -178.185 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 31.2 m -121.27 129.3 25.32 Favored Pre-proline 0 C--N 1.322 -0.588 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 178.324 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.623 ' HA ' ' HA ' ' A' ' 15' ' ' GLU . 72.5 Cg_exo -47.35 142.8 12.05 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.728 2.285 . . . . 0.0 112.257 -179.751 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.623 ' HG2' ' O ' ' A' ' 14' ' ' GLY . 2.8 ptp85 -80.65 47.8 1.0 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.062 0.458 . . . . 0.0 111.984 -179.28 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 41.0 tpt85 . . . . . 0 C--O 1.247 0.973 0 CA-C-O 118.461 -0.78 . . . . 0.0 109.31 178.378 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.756 0 N-CA-C 111.243 -0.743 . . . . 0.0 111.243 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 96.8 mt -69.08 137.21 53.33 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.815 0.308 . . . . 0.0 110.424 179.351 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 31.7 tp -79.1 69.35 5.27 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.574 -179.759 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.622 ' HB2' ' CZ ' ' A' ' 27' ' ' TYR . 6.7 m -89.23 155.47 19.38 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.678 -179.35 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 78.7 m-85 -134.19 147.96 50.83 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.099 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 88.6 m -79.67 129.76 34.76 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 177.644 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.553 ' HG3' ' HA ' ' A' ' 11' ' ' CYS . 35.1 mmt180 -121.99 141.79 50.98 Favored 'General case' 0 C--N 1.311 -1.07 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.807 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.417 ' HB3' ' CE2' ' A' ' 25' ' ' PHE . 54.5 pttt -88.24 123.27 32.69 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.337 -179.294 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 78.43 -47.33 2.95 Favored Glycine 0 N--CA 1.451 -0.338 0 CA-C-N 115.625 -0.716 . . . . 0.0 113.664 179.363 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -166.62 155.09 10.36 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.14 0.495 . . . . 0.0 111.635 -179.756 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.681 ' SG ' HG22 ' A' ' 17' ' ' VAL . 3.9 m -71.66 166.7 21.36 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 114.915 -1.039 . . . . 0.0 111.282 -179.862 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 32.7 mmmt -74.13 160.26 31.47 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 177.729 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 28.9 tpt180 -64.4 75.96 0.04 OUTLIER 'General case' 0 CA--C 1.532 0.27 0 CA-C-O 121.042 0.448 . . . . 0.0 111.188 -179.5 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 159.16 -25.09 0.33 Allowed Glycine 0 N--CA 1.444 -0.784 0 C-N-CA 121.19 -0.529 . . . . 0.0 112.077 -179.285 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.599 ' HB2' ' HB3' ' A' ' 11' ' ' CYS . 52.1 mt-10 -86.01 138.22 32.13 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-O 121.562 0.696 . . . . 0.0 111.799 -179.131 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.428 ' HD3' ' HA ' ' A' ' 16' ' ' ARG . 26.7 mmt180 -102.07 131.45 48.53 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 115.023 -0.99 . . . . 0.0 110.393 178.599 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.681 HG22 ' SG ' ' A' ' 11' ' ' CYS . 10.8 t -64.79 127.26 25.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.591 -179.793 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 60.9 ttp85 -118.59 -22.47 7.49 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.153 179.251 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -167.78 -169.1 30.86 Favored Glycine 0 N--CA 1.446 -0.651 0 C-N-CA 119.983 -1.103 . . . . 0.0 112.82 179.549 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 16.4 p -112.7 143.87 43.18 Favored 'General case' 0 C--N 1.318 -0.769 0 C-N-CA 122.419 0.288 . . . . 0.0 110.31 179.724 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 55.8 m -102.31 -37.29 8.14 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.296 0.57 . . . . 0.0 110.897 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 170.09 -158.39 30.38 Favored Glycine 0 N--CA 1.442 -0.966 0 C-N-CA 120.753 -0.737 . . . . 0.0 111.424 179.731 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.474 ' O ' ' HB2' ' A' ' 24' ' ' ARG . 60.0 mt -62.46 107.17 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 N-CA-C 110.563 -0.162 . . . . 0.0 110.563 179.654 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.474 ' HB2' ' O ' ' A' ' 23' ' ' ILE . 79.7 mtp180 74.8 17.63 2.82 Favored 'General case' 0 N--CA 1.466 0.345 0 O-C-N 124.151 0.907 . . . . 0.0 113.003 179.662 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.417 ' CE2' ' HB3' ' A' ' 8' ' ' LYS . 58.5 m-85 -129.94 130.94 45.74 Favored 'General case' 0 CA--C 1.512 -0.49 0 C-N-CA 120.198 -0.601 . . . . 0.0 110.293 178.592 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 78.2 mt -115.18 141.35 48.13 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-N 115.085 -0.961 . . . . 0.0 110.35 -179.646 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.622 ' CZ ' ' HB2' ' A' ' 4' ' ' CYS . 3.4 t80 -88.5 105.82 17.88 Favored 'General case' 0 C--N 1.316 -0.874 0 N-CA-C 108.137 -1.06 . . . . 0.0 108.137 178.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.4 m -111.99 139.9 47.11 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 115.492 -0.776 . . . . 0.0 111.864 -177.701 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.415 ' HA ' ' HD3' ' A' ' 30' ' ' PRO . 13.6 m -112.47 123.08 34.84 Favored Pre-proline 0 C--N 1.318 -0.797 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 178.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.562 ' HA ' ' HA ' ' A' ' 15' ' ' GLU . 38.7 Cg_exo -59.43 145.69 97.19 Favored 'Trans proline' 0 N--CA 1.464 -0.234 0 C-N-CA 122.626 2.217 . . . . 0.0 111.574 -179.829 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 28.4 mtp85 -60.81 -37.27 81.4 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.428 -179.44 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.658 ' OXT' ' HD2' ' A' ' 32' ' ' ARG . 0.3 OUTLIER . . . . . 0 C--O 1.248 0.999 0 CA-C-O 117.554 -1.212 . . . . 0.0 108.02 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.849 0 N-CA-C 111.312 -0.715 . . . . 0.0 111.312 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -162.53 151.8 15.48 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 179.615 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 32.6 tp -159.43 56.35 0.39 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.529 0.681 . . . . 0.0 109.466 -179.616 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.569 ' HB2' ' CZ ' ' A' ' 27' ' ' TYR . 43.2 m -89.03 162.68 15.89 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.165 -179.502 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 26.6 m-85 -117.51 138.02 52.16 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.096 179.652 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 95.7 m -81.67 126.96 32.4 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.026 178.838 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 62.2 mtt-85 -135.28 139.89 44.74 Favored 'General case' 0 C--N 1.312 -1.056 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.253 179.447 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.738 ' HD3' ' H ' ' A' ' 8' ' ' LYS . 0.3 OUTLIER -81.33 134.64 35.61 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 115.501 -0.772 . . . . 0.0 111.694 -178.867 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 85.81 -53.7 4.71 Favored Glycine 0 N--CA 1.449 -0.498 0 CA-C-N 115.396 -0.82 . . . . 0.0 114.096 178.822 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -174.3 164.77 3.97 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.065 0.459 . . . . 0.0 111.694 -179.534 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.634 ' SG ' HG22 ' A' ' 17' ' ' VAL . 3.3 m -71.21 161.68 30.69 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.084 -0.962 . . . . 0.0 111.135 179.67 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 21.8 tttm -77.98 147.61 34.8 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 107.596 -1.261 . . . . 0.0 107.596 176.803 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 27.7 mmm180 -50.6 110.81 0.45 Allowed 'General case' 0 C--O 1.238 0.45 0 N-CA-C 110.047 -0.353 . . . . 0.0 110.047 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 124.4 -21.75 6.75 Favored Glycine 0 N--CA 1.445 -0.757 0 C-N-CA 120.878 -0.677 . . . . 0.0 112.81 -178.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.622 ' HA ' ' HA ' ' A' ' 30' ' ' PRO . 56.5 mt-10 -94.98 137.27 34.26 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-O 121.707 0.765 . . . . 0.0 111.871 -178.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 15.2 tpt180 -97.05 132.58 42.71 Favored 'General case' 0 C--N 1.314 -0.967 0 CA-C-N 114.547 -1.206 . . . . 0.0 109.391 178.831 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.634 HG22 ' SG ' ' A' ' 11' ' ' CYS . 13.5 t -62.92 124.56 17.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-O 121.077 0.465 . . . . 0.0 110.944 -179.578 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 29.3 tpt180 -98.65 -33.9 10.77 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.355 -0.839 . . . . 0.0 108.941 178.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 176.5 -160.21 27.62 Favored Glycine 0 N--CA 1.446 -0.683 0 CA-C-N 115.305 -0.861 . . . . 0.0 112.122 179.64 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 13.1 p -106.74 142.46 36.34 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 120.602 0.239 . . . . 0.0 110.931 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 55.0 m -96.8 -37.31 10.32 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.429 0.633 . . . . 0.0 110.37 179.514 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 172.86 -160.66 31.67 Favored Glycine 0 N--CA 1.439 -1.139 0 CA-C-N 115.195 -0.911 . . . . 0.0 111.143 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.5 ' O ' ' HB2' ' A' ' 24' ' ' ARG . 44.7 mm -63.61 106.92 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 N-CA-C 110.385 -0.228 . . . . 0.0 110.385 179.702 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.5 ' HB2' ' O ' ' A' ' 23' ' ' ILE . 90.3 mtm-85 77.39 15.98 1.66 Allowed 'General case' 0 N--CA 1.468 0.45 0 O-C-N 124.249 0.968 . . . . 0.0 112.948 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 55.0 m-85 -128.21 131.71 48.83 Favored 'General case' 0 CA--C 1.512 -0.507 0 CA-C-N 118.637 0.653 . . . . 0.0 110.466 178.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.5 mp -112.8 142.78 45.05 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 115.13 -0.941 . . . . 0.0 110.383 -179.773 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.569 ' CZ ' ' HB2' ' A' ' 4' ' ' CYS . 6.0 t80 -96.55 109.8 22.32 Favored 'General case' 0 C--N 1.316 -0.86 0 N-CA-C 107.884 -1.154 . . . . 0.0 107.884 179.275 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.8 m -123.23 141.61 51.8 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 113.663 0.986 . . . . 0.0 113.663 -177.153 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.4 m -115.36 129.13 25.36 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 115.179 -0.919 . . . . 0.0 110.159 177.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.622 ' HA ' ' HA ' ' A' ' 15' ' ' GLU . 32.9 Cg_exo -61.17 139.81 85.72 Favored 'Trans proline' 0 C--O 1.233 0.241 0 C-N-CA 122.558 2.172 . . . . 0.0 111.699 179.5 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 5.3 ptm180 -66.42 -34.12 77.23 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.481 -179.383 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 28.1 mtm-85 . . . . . 0 C--O 1.241 0.657 0 O-C-N 123.829 0.705 . . . . 0.0 110.124 -179.513 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.919 0 N-CA-C 111.075 -0.81 . . . . 0.0 111.075 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 98.5 mt -69.24 146.33 52.42 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.811 0.305 . . . . 0.0 110.188 178.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.468 ' O ' ' HD2' ' A' ' 30' ' ' PRO . 56.8 tp -162.04 126.12 3.2 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.325 -0.398 . . . . 0.0 109.949 -179.782 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.61 ' HB2' ' CZ ' ' A' ' 27' ' ' TYR . 10.7 m -147.58 158.46 44.01 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 -179.887 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 54.0 m-85 -133.76 144.99 49.4 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.425 0.631 . . . . 0.0 111.855 -178.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.483 ' HA ' ' O ' ' A' ' 26' ' ' LEU . 72.0 m -90.59 134.14 34.59 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.225 -0.898 . . . . 0.0 109.547 177.763 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.656 ' HB2' ' O ' ' A' ' 10' ' ' HIS . 70.9 mtt-85 -144.79 144.74 31.32 Favored 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 108.809 -0.811 . . . . 0.0 108.809 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 53.2 tttm -66.74 102.21 0.91 Allowed 'General case' 0 C--N 1.316 -0.856 0 N-CA-C 113.428 0.899 . . . . 0.0 113.428 -177.486 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 50.77 40.97 42.6 Favored Glycine 0 C--O 1.228 -0.245 0 CA-C-N 114.112 -1.403 . . . . 0.0 115.87 177.109 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.656 ' O ' ' HB2' ' A' ' 7' ' ' ARG . 1.1 p-80 179.4 163.02 0.9 Allowed 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 117.135 0.468 . . . . 0.0 110.594 178.311 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.582 ' HB3' ' HB2' ' A' ' 15' ' ' GLU . 5.0 m -124.32 161.04 26.71 Favored 'General case' 0 C--N 1.314 -0.975 0 CA-C-N 115.855 -0.612 . . . . 0.0 110.15 179.851 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.617 ' HB3' ' CD ' ' A' ' 15' ' ' GLU . 18.3 tttt -64.98 150.23 48.39 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 107.517 -1.29 . . . . 0.0 107.517 177.088 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.408 ' N ' ' HG2' ' A' ' 12' ' ' LYS . 37.2 mmt180 -58.21 96.97 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 179.652 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 131.42 -19.91 4.75 Favored Glycine 0 N--CA 1.445 -0.735 0 C-N-CA 120.92 -0.657 . . . . 0.0 112.179 -178.476 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.665 ' HA ' ' HA ' ' A' ' 30' ' ' PRO . 98.2 mt-10 -81.11 131.67 35.31 Favored 'General case' 0 CA--C 1.515 -0.394 0 CA-C-O 121.413 0.625 . . . . 0.0 111.808 -179.473 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 38.9 ttm180 -94.92 133.09 39.03 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.126 -0.943 . . . . 0.0 110.001 178.306 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 46.5 t -57.77 125.11 13.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 121.27 0.557 . . . . 0.0 111.272 -179.776 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.452 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 13.5 tpt180 -99.56 -35.96 9.69 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.184 -0.916 . . . . 0.0 109.279 179.382 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 163.17 -157.16 29.2 Favored Glycine 0 N--CA 1.446 -0.689 0 CA-C-N 114.881 -1.054 . . . . 0.0 111.465 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 10.9 p -94.19 142.53 27.29 Favored 'General case' 0 C--N 1.317 -0.84 0 O-C-N 122.968 -0.136 . . . . 0.0 110.825 179.401 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 13.7 t -90.5 -46.57 8.24 Favored 'General case' 0 CA--C 1.513 -0.453 0 CA-C-O 121.984 0.897 . . . . 0.0 109.056 179.172 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 173.98 -153.76 17.85 Favored Glycine 0 N--CA 1.436 -1.347 0 CA-C-N 114.143 -1.39 . . . . 0.0 110.608 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 49.6 mm -58.97 108.23 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-O 120.862 0.363 . . . . 0.0 111.284 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 22.6 mmt85 69.17 23.37 6.42 Favored 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 113.718 1.007 . . . . 0.0 113.718 178.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 71.1 m-85 -133.93 136.08 43.99 Favored 'General case' 0 CA--C 1.507 -0.676 0 CA-C-O 121.711 0.767 . . . . 0.0 111.436 178.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.483 ' O ' ' HA ' ' A' ' 6' ' ' CYS . 41.0 tp -104.61 143.09 33.54 Favored 'General case' 0 C--N 1.311 -1.079 0 CA-C-N 114.081 -1.418 . . . . 0.0 108.572 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.61 ' CZ ' ' HB2' ' A' ' 4' ' ' CYS . 10.8 t80 -106.79 112.54 25.57 Favored 'General case' 0 C--N 1.301 -1.507 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 -179.14 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.7 m -120.18 137.91 53.92 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-O 121.122 0.487 . . . . 0.0 111.671 -178.585 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.452 ' SG ' ' HB2' ' A' ' 18' ' ' ARG . 82.6 m -102.54 118.9 57.59 Favored Pre-proline 0 C--N 1.32 -0.678 0 N-CA-C 108.752 -0.833 . . . . 0.0 108.752 178.186 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.665 ' HA ' ' HA ' ' A' ' 15' ' ' GLU . 34.3 Cg_exo -62.92 135.42 51.55 Favored 'Trans proline' 0 CA--C 1.512 -0.605 0 C-N-CA 122.725 2.284 . . . . 0.0 112.972 -178.668 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 30.3 tpt180 -77.27 -30.55 54.4 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 107.731 -1.211 . . . . 0.0 107.731 177.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 11.6 tpt180 . . . . . 0 C--O 1.244 0.787 0 CA-C-N 114.091 -1.413 . . . . 0.0 107.907 179.119 . . . . . . . . 0 0 . 1 stop_ save_