data_2k4x_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 2k4x _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 ' 20' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 . . . . . 0 N--CA 1.463 0.208 0 CA-C-O 121.318 0.58 . . . . 0.0 111.514 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.427 ' O ' ' N ' ' A' ' 25' ' ' GLY . 43.9 t -87.93 118.46 69.69 Favored Pre-proline 0 C--N 1.327 -0.409 0 N-CA-C 108.566 -0.902 . . . . 0.0 108.566 175.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_exo -37.38 -58.43 0.59 Allowed 'Trans proline' 0 C--N 1.349 0.567 0 C-N-CA 123.574 2.849 . . . . 0.0 114.092 -165.404 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 41.8 mtm180 -86.39 -29.89 22.56 Favored 'General case' 0 CA--C 1.534 0.334 0 N-CA-C 112.244 0.461 . . . . 0.0 112.244 -173.509 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.529 ' HB3' ' HB ' ' A' ' 28' ' ' VAL . 8.2 m -89.47 -6.32 56.56 Favored 'General case' 0 N--CA 1.473 0.716 0 O-C-N 122.313 -0.242 . . . . 0.0 111.145 -179.11 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.427 ' N ' ' O ' ' A' ' 21' ' ' CYS . . . -40.81 -65.95 0.96 Allowed Glycine 0 C--N 1.336 0.546 0 O-C-N 123.73 0.644 . . . . 0.0 113.693 -169.511 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_exo -65.77 90.79 0.24 Allowed 'Trans proline' 0 C--O 1.235 0.365 0 C-N-CA 122.292 1.995 . . . . 0.0 111.326 175.538 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 124.65 -24.77 6.04 Favored Glycine 0 C--N 1.329 0.163 0 CA-C-N 116.133 -0.485 . . . . 0.0 112.513 177.149 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.529 ' HB ' ' HB3' ' A' ' 24' ' ' CYS . 25.3 t -136.22 98.96 1.95 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.503 0 CA-C-O 120.751 0.31 . . . . 0.0 110.524 178.67 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 17.2 p90 -64.17 160.76 17.7 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.169 -0.469 . . . . 0.0 109.895 175.293 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.675 ' HG ' ' HB3' ' A' ' 37' ' ' TYR . 26.7 tp -93.43 111.36 23.01 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 108.376 -0.972 . . . . 0.0 108.376 176.13 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.475 ' O ' ' HA ' ' A' ' 37' ' ' TYR . . . -52.26 92.33 0.01 OUTLIER 'General case' 0 C--O 1.235 0.305 0 O-C-N 123.513 0.508 . . . . 0.0 111.42 -174.144 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 44.9 tt0 -78.24 107.16 10.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.718 -179.202 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 90.9 m-70 -102.92 160.96 14.14 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.329 -0.85 . . . . 0.0 109.451 173.481 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.3 -27.22 54.76 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.183 0.438 . . . . 0.0 112.183 -175.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -110.44 -15.91 13.81 Favored 'General case' 0 CA--C 1.532 0.258 0 N-CA-C 112.189 0.44 . . . . 0.0 112.189 -175.039 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 34.6 ptt-85 -171.0 -169.69 0.78 Allowed 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 120.472 -0.491 . . . . 0.0 111.894 -173.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.675 ' HB3' ' HG ' ' A' ' 30' ' ' LEU . 51.7 m-85 -131.24 160.31 35.25 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 124.16 0.984 . . . . 0.0 108.628 179.069 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 9.6 t -157.26 162.3 39.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.785 0.326 . . . . 0.0 110.378 173.036 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 37.0 t -134.71 90.97 2.71 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.642 -177.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -66.01 78.55 0.11 Allowed Glycine 0 C--N 1.332 0.337 0 N-CA-C 111.579 -0.609 . . . . 0.0 111.579 173.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 8.2 tpt180 -176.94 -51.28 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 -176.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 14.3 p -127.26 4.82 6.34 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.668 178.612 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 77.25 12.37 84.66 Favored Glycine 0 C--N 1.335 0.527 0 C-N-CA 121.01 -0.614 . . . . 0.0 113.207 175.124 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 51.3 t80 -69.91 111.25 5.5 Favored 'General case' 0 C--O 1.236 0.384 0 N-CA-C 109.67 -0.492 . . . . 0.0 109.67 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.448 HG22 ' O ' ' A' ' 37' ' ' TYR . 98.9 m -124.53 135.91 53.56 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.682 179.147 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -141.8 147.23 36.94 Favored 'General case' 0 C--O 1.22 -0.497 0 N-CA-C 108.608 -0.886 . . . . 0.0 108.608 -177.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -96.03 153.0 18.01 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 118.176 0.444 . . . . 0.0 111.625 -176.148 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 67.9 mmtt . . . . . 0 C--O 1.234 0.279 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 171.212 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 75.7 m-85 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.703 0.287 . . . . 0.0 110.361 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.403 ' O ' ' N ' ' A' ' 25' ' ' GLY . 42.6 t -71.0 125.44 92.01 Favored Pre-proline 0 C--N 1.328 -0.361 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 -179.693 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -44.63 -46.64 12.16 Favored 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 122.785 2.323 . . . . 0.0 113.407 -171.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 29.6 mmt85 -87.7 -44.59 11.06 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 112.021 -175.711 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.445 ' HB3' ' HB ' ' A' ' 28' ' ' VAL . 5.6 m -87.63 -0.76 57.32 Favored 'General case' 0 N--CA 1.473 0.724 0 N-CA-C 111.828 0.307 . . . . 0.0 111.828 -175.185 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 21' ' ' CYS . . . -38.28 -62.04 1.14 Allowed Glycine 0 N--CA 1.464 0.54 0 O-C-N 123.607 0.567 . . . . 0.0 114.23 -171.673 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 26.8 Cg_exo -63.09 81.63 0.11 Allowed 'Trans proline' 0 CA--C 1.534 0.504 0 C-N-CA 122.577 2.184 . . . . 0.0 112.218 177.577 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 125.59 -24.84 5.75 Favored Glycine 0 CA--C 1.519 0.34 0 C-N-CA 121.35 -0.452 . . . . 0.0 112.954 176.41 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.445 ' HB ' ' HB3' ' A' ' 24' ' ' CYS . 43.0 t -132.76 109.67 14.74 Favored 'Isoleucine or valine' 0 C--O 1.238 0.49 0 CA-C-O 121.019 0.438 . . . . 0.0 111.016 -178.851 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 31.8 p90 -71.12 -171.94 0.63 Allowed 'General case' 0 C--O 1.236 0.358 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.979 177.13 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 36.4 tp -110.23 113.85 26.85 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 176.58 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.91 112.82 3.09 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-O 120.865 0.364 . . . . 0.0 110.73 -176.316 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -90.65 116.76 28.78 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.577 -179.051 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 66.0 m-70 -112.34 152.58 28.4 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 175.02 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -53.83 -31.48 49.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.868 0.366 . . . . 0.0 111.675 -176.42 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 28.9 m-20 -89.69 -34.82 16.11 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.79 -178.038 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 13.0 ptp180 -167.54 171.42 10.36 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 121.121 0.486 . . . . 0.0 111.551 -169.083 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 88.2 m-85 -98.34 153.09 18.79 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.714 -0.676 . . . . 0.0 109.235 173.078 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.444 ' HA ' ' HA ' ' A' ' 45' ' ' THR . 22.1 t -152.96 163.01 40.62 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.083 0.468 . . . . 0.0 110.523 178.667 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 35.1 t -138.97 91.19 2.5 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.017 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -65.72 75.64 0.11 Allowed Glycine 0 N--CA 1.451 -0.318 0 O-C-N 123.628 0.58 . . . . 0.0 111.944 175.761 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 11.8 tpt180 -171.45 -54.43 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.338 -0.615 . . . . 0.0 109.338 -179.034 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 25.4 p -114.59 -7.51 12.77 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.743 176.539 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 83.75 21.24 58.21 Favored Glycine 0 C--N 1.336 0.577 0 C-N-CA 121.036 -0.602 . . . . 0.0 113.034 178.074 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 62.5 t80 -71.89 102.92 3.02 Favored 'General case' 0 C--O 1.235 0.305 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 175.131 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.444 ' HA ' ' HA ' ' A' ' 38' ' ' SER . 53.7 m -128.93 114.05 15.97 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.818 -177.598 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -134.54 138.59 44.76 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.054 -0.521 . . . . 0.0 109.772 -174.395 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -63.38 157.49 22.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.536 -175.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 38.1 mmtt . . . . . 0 CA--C 1.533 0.293 0 CA-C-O 121.282 0.563 . . . . 0.0 110.177 172.953 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 85.5 m-85 . . . . . 0 N--CA 1.456 -0.171 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 43.3 t -69.64 122.8 86.98 Favored Pre-proline 0 C--N 1.324 -0.518 0 N-CA-C 109.708 -0.478 . . . . 0.0 109.708 -179.338 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -33.95 -46.9 0.47 Allowed 'Trans proline' 0 C--N 1.352 0.747 0 C-N-CA 124.004 3.136 . . . . 0.0 114.136 -171.528 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 23.7 mmm-85 -97.45 -48.91 5.1 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.905 -173.415 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 2.4 m -81.09 -0.4 39.83 Favored 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 111.536 0.198 . . . . 0.0 111.536 -176.078 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -37.05 -61.81 0.91 Allowed Glycine 0 C--N 1.339 0.717 0 O-C-N 123.549 0.531 . . . . 0.0 113.993 -174.091 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 22.9 Cg_exo -64.61 81.83 0.17 Allowed 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.503 2.135 . . . . 0.0 112.01 176.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 128.72 -25.76 4.66 Favored Glycine 0 C--N 1.33 0.203 0 CA-C-N 116.038 -0.528 . . . . 0.0 112.585 176.067 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 31.9 t -133.5 98.5 2.71 Favored 'Isoleucine or valine' 0 C--O 1.239 0.508 0 CA-C-O 120.959 0.409 . . . . 0.0 110.141 178.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 50.2 p90 -68.9 173.78 5.04 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.432 177.029 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.776 ' HG ' ' HB3' ' A' ' 37' ' ' TYR . 20.5 tp -94.84 101.42 13.23 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 178.245 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -54.81 111.42 0.82 Allowed 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.398 -174.704 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 51.4 tt0 -84.45 124.68 31.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.051 -177.393 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 74.6 m-70 -128.17 155.77 43.96 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 108.691 -0.855 . . . . 0.0 108.691 172.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.83 -27.57 66.74 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 120.885 0.374 . . . . 0.0 111.193 -177.269 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -80.43 -39.42 28.27 Favored 'General case' 0 C--O 1.238 0.499 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.752 178.386 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 34.7 ptt180 -175.92 171.63 2.59 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.119 -170.628 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.776 ' HB3' ' HG ' ' A' ' 30' ' ' LEU . 52.9 m-85 -98.23 149.51 22.49 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.261 -1.015 . . . . 0.0 108.261 169.577 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 7.9 t -151.94 163.04 40.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.839 0.352 . . . . 0.0 110.558 177.479 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 23.4 t -130.05 118.81 22.12 Favored 'General case' 0 CA--C 1.511 -0.546 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.499 -175.638 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.557 ' O ' ' HB2' ' A' ' 41' ' ' ARG . . . -60.44 157.12 29.52 Favored Glycine 0 N--CA 1.444 -0.832 0 C-N-CA 120.282 -0.961 . . . . 0.0 110.919 169.026 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.557 ' HB2' ' O ' ' A' ' 40' ' ' GLY . 9.8 mpt_? 84.27 -51.83 0.12 Allowed 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 123.862 0.865 . . . . 0.0 111.966 177.149 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 1.8 p -116.98 -7.08 11.4 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-N 119.311 0.96 . . . . 0.0 112.02 -178.177 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 69.78 19.9 75.46 Favored Glycine 0 C--N 1.332 0.334 0 C-N-CA 120.923 -0.656 . . . . 0.0 113.419 174.596 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 84.6 t80 -62.59 117.31 6.06 Favored 'General case' 0 C--O 1.232 0.174 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 175.607 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 70.8 m -121.14 144.85 48.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 123.407 0.442 . . . . 0.0 110.852 -177.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -145.39 114.13 6.83 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 179.328 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -66.96 149.5 50.54 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 112.616 0.598 . . . . 0.0 112.616 -171.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 31.6 mmtt . . . . . 0 N--CA 1.466 0.344 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.037 179.595 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 77.3 m-85 . . . . . 0 C--O 1.231 0.131 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.429 ' HB2' HD12 ' A' ' 30' ' ' LEU . 34.3 t -82.29 119.94 75.96 Favored Pre-proline 0 C--N 1.328 -0.328 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 -179.665 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_exo -41.95 -58.11 1.29 Allowed 'Trans proline' 0 C--N 1.349 0.575 0 C-N-CA 123.008 2.472 . . . . 0.0 113.469 -169.694 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 60.5 mtm180 -82.58 -35.59 26.99 Favored 'General case' 0 CA--C 1.533 0.327 0 N-CA-C 112.53 0.567 . . . . 0.0 112.53 -173.381 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 9.3 m -86.39 -5.12 59.24 Favored 'General case' 0 N--CA 1.473 0.722 0 O-C-N 122.224 -0.297 . . . . 0.0 111.009 -179.241 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 21' ' ' CYS . . . -43.98 -63.83 2.15 Favored Glycine 0 C--N 1.335 0.51 0 O-C-N 123.569 0.543 . . . . 0.0 114.122 -170.434 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_endo -61.68 81.81 0.09 OUTLIER 'Trans proline' 0 CA--C 1.531 0.375 0 C-N-CA 122.435 2.09 . . . . 0.0 112.148 179.487 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 126.94 -25.11 5.32 Favored Glycine 0 CA--C 1.518 0.249 0 CA-C-N 115.93 -0.577 . . . . 0.0 112.61 177.385 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 22.0 t -126.68 100.13 6.26 Favored 'Isoleucine or valine' 0 C--O 1.237 0.416 0 CA-C-O 120.871 0.367 . . . . 0.0 110.687 -179.07 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 49.0 p90 -64.82 159.17 23.12 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.881 175.054 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.558 ' HG ' ' HB3' ' A' ' 37' ' ' TYR . 23.2 tp -91.75 117.89 30.18 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 179.502 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.38 101.82 0.12 Allowed 'General case' 0 C--O 1.235 0.291 0 CA-C-O 120.982 0.42 . . . . 0.0 110.988 -176.297 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -85.1 115.97 23.2 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.188 -177.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 18.2 m-70 -113.05 155.5 24.76 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 108.467 -0.938 . . . . 0.0 108.467 172.402 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.56 -28.65 63.74 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-O 120.819 0.342 . . . . 0.0 111.414 -177.297 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -89.03 -33.15 17.26 Favored 'General case' 0 C--O 1.237 0.436 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.347 -178.016 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.448 ' HB2' ' O ' ' A' ' 46' ' ' GLU . 5.9 ptp180 -172.17 168.24 5.77 Favored 'General case' 0 N--CA 1.462 0.136 0 CA-C-O 121.073 0.463 . . . . 0.0 111.706 -168.473 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.558 ' HB3' ' HG ' ' A' ' 30' ' ' LEU . 95.4 m-85 -97.96 153.13 18.57 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.238 170.853 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 10.3 t -146.39 159.24 43.64 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.724 -0.472 . . . . 0.0 109.724 175.754 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.586 ' SG ' ' HB3' ' A' ' 41' ' ' ARG . 38.8 t -133.92 91.32 2.81 Favored 'General case' 0 C--O 1.236 0.377 0 N-CA-C 111.989 0.366 . . . . 0.0 111.989 -178.615 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -67.59 74.83 0.22 Allowed Glycine 0 C--N 1.332 0.342 0 N-CA-C 110.886 -0.886 . . . . 0.0 110.886 171.129 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.586 ' HB3' ' SG ' ' A' ' 39' ' ' CYS . 32.6 tpt180 -173.34 -37.19 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 -175.654 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 16.3 p -146.48 11.7 1.15 Allowed 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.565 174.536 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 75.6 3.5 72.57 Favored Glycine 0 C--N 1.337 0.629 0 CA-C-N 116.413 -0.358 . . . . 0.0 113.84 173.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 60.9 t80 -61.57 109.14 1.1 Allowed 'General case' 0 C--O 1.234 0.257 0 CA-C-N 117.254 0.527 . . . . 0.0 110.186 -178.171 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 32.9 m -126.89 119.17 26.12 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.19 -178.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.448 ' O ' ' HB2' ' A' ' 36' ' ' ARG . 26.5 tt0 -122.15 140.34 52.68 Favored 'General case' 0 C--O 1.224 -0.283 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 -178.743 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 69.1 m-85 -77.26 141.88 39.76 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 110.46 -0.2 . . . . 0.0 110.46 177.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 43.6 mmtt . . . . . 0 N--CA 1.466 0.329 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.602 178.435 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.43 ' HB3' ' HA2' ' A' ' 25' ' ' GLY . 46.9 m-85 . . . . . 0 C--O 1.235 0.336 0 CA-C-O 121.122 0.487 . . . . 0.0 110.644 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 45.3 t -67.52 128.37 93.57 Favored Pre-proline 0 C--N 1.324 -0.5 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.204 -178.765 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 65.4 Cg_exo -38.63 -49.68 2.51 Favored 'Trans proline' 0 C--N 1.352 0.74 0 C-N-CA 123.252 2.635 . . . . 0.0 113.696 -173.109 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 72.8 mtp180 -92.71 -52.0 4.83 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.711 -174.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.42 ' CB ' ' HB ' ' A' ' 28' ' ' VAL . 3.5 m -75.76 -0.79 22.18 Favored 'General case' 0 N--CA 1.474 0.732 0 N-CA-C 111.638 0.236 . . . . 0.0 111.638 -176.731 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.43 ' HA2' ' HB3' ' A' ' 20' ' ' PHE . . . -38.41 -64.73 0.81 Allowed Glycine 0 C--N 1.339 0.732 0 O-C-N 123.536 0.523 . . . . 0.0 114.306 -172.563 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 22.5 Cg_exo -64.23 85.14 0.15 Allowed 'Trans proline' 0 CA--C 1.534 0.493 0 C-N-CA 122.256 1.971 . . . . 0.0 111.977 178.13 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 124.48 -25.06 6.04 Favored Glycine 0 CA--C 1.517 0.165 0 C-N-CA 121.199 -0.524 . . . . 0.0 113.296 174.404 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.42 ' HB ' ' CB ' ' A' ' 24' ' ' CYS . 27.4 t -126.94 112.11 27.93 Favored 'Isoleucine or valine' 0 C--O 1.237 0.416 0 CA-C-N 117.088 0.444 . . . . 0.0 110.168 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 35.8 p90 -67.23 174.01 3.5 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.438 -179.019 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.437 ' HG ' ' HB3' ' A' ' 37' ' ' TYR . 32.7 tp -113.3 111.57 22.25 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 173.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.84 95.83 0.12 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.296 -175.113 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -80.35 117.29 20.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.619 178.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 93.3 m-70 -120.06 156.84 30.14 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 173.055 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.3 -25.02 63.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.108 0.48 . . . . 0.0 110.477 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -76.75 -45.22 29.98 Favored 'General case' 0 C--O 1.237 0.437 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.607 176.326 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.425 ' HB2' ' O ' ' A' ' 46' ' ' GLU . 16.8 ptt180 179.38 172.96 0.87 Allowed 'General case' 0 CA--C 1.529 0.165 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.229 -170.658 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.437 ' HB3' ' HG ' ' A' ' 30' ' ' LEU . 13.9 m-85 -98.31 140.62 32.32 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 108.971 -0.752 . . . . 0.0 108.971 175.295 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 8.2 t -135.97 159.73 40.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.734 0.302 . . . . 0.0 110.475 179.699 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.611 ' SG ' ' O ' ' A' ' 40' ' ' GLY . 41.9 t -143.54 121.04 11.72 Favored 'General case' 0 CA--C 1.512 -0.516 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.798 -179.596 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.611 ' O ' ' SG ' ' A' ' 39' ' ' CYS . . . -65.95 179.3 11.03 Favored Glycine 0 N--CA 1.446 -0.652 0 N-CA-C 110.076 -1.21 . . . . 0.0 110.076 163.728 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.464 ' HB2' ' O ' ' A' ' 40' ' ' GLY . 9.2 mpt_? 74.28 -46.76 0.62 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 117.182 0.491 . . . . 0.0 111.79 178.398 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.407 ' SG ' ' HB2' ' A' ' 44' ' ' TYR . 8.4 p -129.34 -5.87 4.81 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 119.759 -0.776 . . . . 0.0 112.653 179.785 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 70.76 20.12 77.24 Favored Glycine 0 C--N 1.333 0.39 0 C-N-CA 120.443 -0.884 . . . . 0.0 112.783 174.581 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.407 ' HB2' ' SG ' ' A' ' 42' ' ' CYS . 77.0 t80 -66.99 118.8 10.95 Favored 'General case' 0 C--O 1.234 0.254 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 177.435 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 35.1 m -133.52 118.79 18.73 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.517 -179.429 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.425 ' O ' ' HB2' ' A' ' 36' ' ' ARG . 9.7 tp10 -119.59 140.66 50.22 Favored 'General case' 0 C--O 1.224 -0.285 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 178.181 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -81.84 152.72 26.76 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.767 0.318 . . . . 0.0 111.511 -175.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 47.0 mmtt . . . . . 0 C--O 1.235 0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.174 175.316 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 93.8 m-85 . . . . . 0 N--CA 1.451 -0.415 0 N-CA-C 107.855 -1.165 . . . . 0.0 107.855 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 42.1 t -61.13 127.98 88.75 Favored Pre-proline 0 C--N 1.324 -0.532 0 C-N-CA 121.195 -0.202 . . . . 0.0 110.658 -174.426 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -37.9 -47.66 2.11 Favored 'Trans proline' 0 C--N 1.354 0.821 0 C-N-CA 123.569 2.846 . . . . 0.0 113.521 -173.672 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 20.9 mmt180 -97.34 -51.43 4.17 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.562 -175.652 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.459 ' HB3' ' HB ' ' A' ' 28' ' ' VAL . 5.3 m -73.15 -1.68 18.53 Favored 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 111.848 0.314 . . . . 0.0 111.848 -176.595 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -33.78 -66.4 0.27 Allowed Glycine 0 C--N 1.34 0.783 0 O-C-N 123.763 0.665 . . . . 0.0 114.678 -171.252 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_exo -56.57 93.14 0.05 OUTLIER 'Trans proline' 0 C--O 1.235 0.372 0 C-N-CA 122.452 2.101 . . . . 0.0 112.214 179.603 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 106.51 -24.35 26.04 Favored Glycine 0 CA--C 1.519 0.316 0 CA-C-N 116.055 -0.52 . . . . 0.0 113.003 178.331 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.459 ' HB ' ' HB3' ' A' ' 24' ' ' CYS . 54.9 t -130.71 102.46 6.65 Favored 'Isoleucine or valine' 0 C--O 1.237 0.447 0 CA-C-O 121.136 0.493 . . . . 0.0 110.821 -178.818 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 41.9 p90 -71.03 -165.79 0.13 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.844 177.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 42.7 tp -118.77 109.75 16.43 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 175.713 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.2 102.98 0.19 Allowed 'General case' 0 C--O 1.236 0.344 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.882 -175.751 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -88.04 111.36 21.44 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.49 179.613 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 80.8 m-70 -106.39 153.13 22.69 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 173.697 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.38 -24.44 44.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.185 0.516 . . . . 0.0 110.655 179.672 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -82.31 -41.42 20.11 Favored 'General case' 0 C--O 1.237 0.441 0 CA-C-N 115.472 -0.785 . . . . 0.0 111.097 179.652 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 26.3 ptt-85 -179.59 177.94 0.69 Allowed 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.252 -174.075 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 57.4 m-85 -96.79 150.87 20.22 Favored 'General case' 0 C--O 1.235 0.31 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 176.363 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 47.1 t -148.75 151.28 34.56 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 110.088 -0.338 . . . . 0.0 110.088 -179.222 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.466 ' SG ' ' HB3' ' A' ' 41' ' ' ARG . 26.1 t -141.32 94.61 2.71 Favored 'General case' 0 C--O 1.237 0.428 0 N-CA-C 111.997 0.369 . . . . 0.0 111.997 177.633 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -68.49 74.42 0.3 Allowed Glycine 0 N--CA 1.45 -0.4 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 172.003 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.466 ' HB3' ' SG ' ' A' ' 39' ' ' CYS . 24.7 tpt180 -173.34 -30.1 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 -176.063 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 22.1 p -150.12 3.82 0.53 Allowed 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.461 174.48 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 77.6 17.39 79.02 Favored Glycine 0 C--N 1.339 0.715 0 C-N-CA 121.23 -0.509 . . . . 0.0 113.533 175.057 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 44.8 t80 -63.62 118.94 8.94 Favored 'General case' 0 C--O 1.236 0.388 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 178.007 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 16.8 m -132.85 131.24 40.76 Favored 'General case' 0 C--N 1.328 -0.359 0 O-C-N 123.685 0.616 . . . . 0.0 109.725 -179.24 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -142.58 122.03 13.21 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 110.035 -0.357 . . . . 0.0 110.035 -178.483 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 71.9 m-85 -69.2 145.85 52.87 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.73 0.3 . . . . 0.0 111.413 -177.194 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 54.5 mmtt . . . . . 0 C--O 1.235 0.327 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.152 176.134 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.426 ' HB3' ' HA2' ' A' ' 25' ' ' GLY . 49.0 m-85 . . . . . 0 N--CA 1.456 -0.155 0 N-CA-C 110.07 -0.345 . . . . 0.0 110.07 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.472 ' O ' ' N ' ' A' ' 25' ' ' GLY . 51.7 t -62.55 114.52 12.29 Favored Pre-proline 0 C--O 1.224 -0.276 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 -179.447 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_exo -37.72 -54.92 1.18 Allowed 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 123.319 2.679 . . . . 0.0 113.825 -164.738 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 61.4 mtm180 -82.8 -33.37 27.29 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 112.523 0.564 . . . . 0.0 112.523 -173.352 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.435 ' HB3' ' HB ' ' A' ' 28' ' ' VAL . 9.8 m -90.03 -6.82 55.16 Favored 'General case' 0 N--CA 1.473 0.718 0 O-C-N 122.064 -0.397 . . . . 0.0 111.004 178.838 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 21' ' ' CYS . . . -42.0 -65.32 1.27 Allowed Glycine 0 C--N 1.335 0.474 0 O-C-N 123.787 0.679 . . . . 0.0 114.604 -166.327 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_endo -64.74 79.7 0.18 Allowed 'Trans proline' 0 C--O 1.235 0.368 0 C-N-CA 122.338 2.026 . . . . 0.0 112.052 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 131.23 -19.41 4.87 Favored Glycine 0 C--N 1.33 0.223 0 C-N-CA 121.109 -0.567 . . . . 0.0 113.156 178.474 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.435 ' HB ' ' HB3' ' A' ' 24' ' ' CYS . 40.5 t -133.45 105.44 7.79 Favored 'Isoleucine or valine' 0 C--O 1.237 0.425 0 CA-C-N 117.136 0.468 . . . . 0.0 110.446 178.663 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.409 ' HA ' ' CD1' ' A' ' 20' ' ' PHE . 18.8 p90 -62.75 160.63 13.95 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.372 178.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 47.4 tp -104.56 102.82 12.43 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.517 -0.92 . . . . 0.0 108.517 174.064 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.428 ' HB3' ' OG ' ' A' ' 38' ' ' SER . . . -60.9 98.31 0.07 Allowed 'General case' 0 C--O 1.237 0.41 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.027 -175.608 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -77.96 116.48 18.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.726 179.1 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 74.1 m-70 -110.51 154.32 23.84 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 108.427 -0.953 . . . . 0.0 108.427 172.435 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.426 ' O ' ' HG3' ' A' ' 48' ' ' LYS . . . -58.14 -26.27 62.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.081 0.467 . . . . 0.0 110.897 -177.854 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -84.88 -39.23 18.49 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.974 179.738 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.425 ' HB3' ' HA ' ' A' ' 47' ' ' PHE . 36.5 ptt180 -174.03 168.96 4.1 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 121.062 0.458 . . . . 0.0 111.407 -173.16 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 -97.74 144.43 27.37 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 108.739 -0.837 . . . . 0.0 108.739 177.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.428 ' OG ' ' HB3' ' A' ' 31' ' ' ALA . 61.1 p -135.94 147.55 48.14 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.913 0.387 . . . . 0.0 111.279 -175.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 18.4 t -133.81 86.13 2.26 Favored 'General case' 0 C--O 1.239 0.517 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.684 175.604 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -65.02 77.2 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.386 0 N-CA-C 111.462 -0.655 . . . . 0.0 111.462 174.59 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 3.8 tpt180 -168.98 -60.83 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 -177.477 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 20.5 p -108.02 -12.05 15.21 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.105 174.638 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 85.76 26.27 35.6 Favored Glycine 0 C--N 1.334 0.438 0 C-N-CA 120.93 -0.652 . . . . 0.0 112.387 179.484 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 78.6 t80 -76.5 112.04 12.61 Favored 'General case' 0 C--O 1.236 0.385 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 175.736 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 30.0 m -130.29 125.54 35.01 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.871 -178.344 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -128.42 119.18 24.46 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.327 -175.132 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.425 ' HA ' ' HB3' ' A' ' 36' ' ' ARG . 75.9 m-85 -64.73 146.98 54.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.811 0.339 . . . . 0.0 110.82 178.287 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.426 ' HG3' ' O ' ' A' ' 34' ' ' ALA . 48.5 mmtt . . . . . 0 C--O 1.234 0.251 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.395 -179.575 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 85.4 m-85 . . . . . 0 C--O 1.232 0.151 0 CA-C-O 121.092 0.473 . . . . 0.0 111.093 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.432 ' O ' ' N ' ' A' ' 25' ' ' GLY . 43.8 t -77.85 121.36 84.04 Favored Pre-proline 0 C--O 1.222 -0.384 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 175.146 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_exo -40.51 -50.67 3.7 Favored 'Trans proline' 0 C--N 1.347 0.488 0 C-N-CA 122.916 2.411 . . . . 0.0 113.434 -171.426 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 26.3 mmt180 -79.86 -55.54 4.91 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.169 -175.207 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.442 ' CB ' ' HB ' ' A' ' 28' ' ' VAL . 4.1 m -77.66 -1.67 32.18 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.7 -176.072 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 21' ' ' CYS . . . -41.4 -58.69 2.85 Favored Glycine 0 C--N 1.334 0.472 0 O-C-N 123.583 0.552 . . . . 0.0 114.167 -170.896 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_endo -66.84 80.14 0.36 Allowed 'Trans proline' 0 CA--C 1.532 0.414 0 C-N-CA 122.24 1.96 . . . . 0.0 111.495 176.534 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 131.1 -24.99 4.17 Favored Glycine 0 C--N 1.334 0.47 0 CA-C-N 115.877 -0.602 . . . . 0.0 112.822 177.332 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.442 ' HB ' ' CB ' ' A' ' 24' ' ' CYS . 93.3 t -135.29 121.75 33.27 Favored 'Isoleucine or valine' 0 C--O 1.236 0.358 0 CA-C-O 120.879 0.371 . . . . 0.0 110.665 -178.79 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 50.7 p90 -74.49 -166.92 0.48 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.945 178.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 32.4 tp -133.91 107.86 8.08 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 176.336 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.85 99.74 0.36 Allowed 'General case' 0 C--O 1.234 0.237 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.152 -174.124 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -85.04 91.81 8.19 Favored 'General case' 0 C--O 1.237 0.414 0 CA-C-O 121.263 0.554 . . . . 0.0 110.148 178.761 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 -82.99 159.82 22.14 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.573 -0.739 . . . . 0.0 109.227 176.283 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.63 -18.4 53.13 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-O 120.791 0.329 . . . . 0.0 111.184 -179.204 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -86.65 -41.06 14.52 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.805 177.389 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.543 ' HA ' ' HG2' ' A' ' 48' ' ' LYS . 13.9 ptt180 178.32 -175.32 0.18 Allowed 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.424 -174.21 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.529 ' HB2' ' HB3' ' A' ' 46' ' ' GLU . 66.6 m-85 -95.59 144.89 25.65 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 177.187 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 29.3 t -145.24 146.17 31.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.023 0.44 . . . . 0.0 110.547 178.142 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 34.6 t -130.02 92.18 3.26 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.154 179.118 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -66.24 72.38 0.14 Allowed Glycine 0 CA--C 1.519 0.296 0 O-C-N 123.706 0.629 . . . . 0.0 111.574 174.605 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 7.4 tpt180 -169.55 -41.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 -175.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.474 ' SG ' ' HB2' ' A' ' 44' ' ' TYR . 17.7 p -137.31 2.01 2.47 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.975 177.73 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 77.82 16.01 80.53 Favored Glycine 0 C--N 1.336 0.547 0 C-N-CA 121.006 -0.616 . . . . 0.0 112.711 177.387 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.474 ' HB2' ' SG ' ' A' ' 42' ' ' CYS . 51.1 t80 -65.58 105.27 1.17 Allowed 'General case' 0 C--O 1.236 0.347 0 N-CA-C 109.754 -0.461 . . . . 0.0 109.754 178.688 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 88.4 m -119.78 133.88 55.44 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.006 179.289 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.529 ' HB3' ' HB2' ' A' ' 37' ' ' TYR . 17.1 tp10 -133.3 112.55 11.75 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.924 -0.398 . . . . 0.0 109.924 -178.676 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 49.3 m-85 -54.57 148.66 11.95 Favored 'General case' 0 C--O 1.236 0.374 0 C-N-CA 122.54 0.336 . . . . 0.0 111.873 -177.29 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.543 ' HG2' ' HA ' ' A' ' 36' ' ' ARG . 33.9 mmtt . . . . . 0 C--O 1.236 0.363 0 CA-C-O 121.202 0.525 . . . . 0.0 110.703 174.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 108.982 -0.747 . . . . 0.0 108.982 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.465 ' O ' ' N ' ' A' ' 25' ' ' GLY . 45.0 t -72.82 125.5 91.13 Favored Pre-proline 0 C--N 1.322 -0.613 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 179.627 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 79.9 Cg_exo -35.53 -62.06 0.24 Allowed 'Trans proline' 0 C--N 1.349 0.592 0 C-N-CA 123.287 2.658 . . . . 0.0 113.75 -167.179 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 51.7 mtm180 -89.46 -27.85 20.08 Favored 'General case' 0 CA--C 1.536 0.421 0 N-CA-C 112.593 0.59 . . . . 0.0 112.593 -171.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.525 ' HB3' ' HB ' ' A' ' 28' ' ' VAL . 10.1 m -87.47 -8.72 56.11 Favored 'General case' 0 N--CA 1.473 0.719 0 O-C-N 122.097 -0.377 . . . . 0.0 110.543 178.412 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' A' ' 21' ' ' CYS . . . -41.12 -63.45 1.53 Allowed Glycine 0 C--N 1.336 0.555 0 O-C-N 123.958 0.786 . . . . 0.0 114.169 -167.766 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -58.62 90.15 0.06 OUTLIER 'Trans proline' 0 CA--C 1.531 0.337 0 C-N-CA 122.188 1.925 . . . . 0.0 111.486 177.005 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 114.21 -24.75 11.22 Favored Glycine 0 N--CA 1.452 -0.292 0 CA-C-N 115.829 -0.623 . . . . 0.0 112.873 177.33 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.525 ' HB ' ' HB3' ' A' ' 24' ' ' CYS . 21.2 t -133.39 103.27 5.42 Favored 'Isoleucine or valine' 0 C--O 1.236 0.387 0 CA-C-O 120.845 0.355 . . . . 0.0 110.257 -178.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 35.4 p90 -70.43 -176.21 1.18 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.267 -178.686 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.518 ' HG ' ' HB3' ' A' ' 37' ' ' TYR . 37.6 tp -113.4 105.32 13.24 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 108.928 -0.767 . . . . 0.0 108.928 175.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.78 104.08 0.26 Allowed 'General case' 0 C--O 1.234 0.257 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.408 -174.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.431 ' HG3' ' HE2' ' A' ' 48' ' ' LYS . 37.0 tt0 -79.24 133.24 36.67 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.396 179.645 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 92.9 m-70 -135.01 158.0 45.48 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 175.678 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -53.9 -36.9 63.2 Favored 'General case' 0 C--N 1.329 -0.299 0 O-C-N 123.27 0.356 . . . . 0.0 111.82 -175.744 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -82.07 -37.08 26.92 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.187 -178.587 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.643 ' HB2' ' O ' ' A' ' 46' ' ' GLU . 4.3 ptp180 -175.83 174.22 2.2 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.99 0.424 . . . . 0.0 111.588 -169.102 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.518 ' HB3' ' HG ' ' A' ' 30' ' ' LEU . 40.6 m-85 -98.13 151.49 20.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.089 175.478 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 19.5 t -141.74 155.95 45.61 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.851 0.358 . . . . 0.0 110.616 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.714 ' SG ' ' O ' ' A' ' 40' ' ' GLY . 40.6 t -147.0 123.88 11.3 Favored 'General case' 0 CA--C 1.516 -0.355 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.43 178.706 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.714 ' O ' ' SG ' ' A' ' 39' ' ' CYS . . . -68.59 -170.95 6.41 Favored Glycine 0 N--CA 1.447 -0.604 0 N-CA-C 109.006 -1.638 . . . . 0.0 109.006 161.666 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 7.0 tpt180 75.52 -52.29 0.64 Allowed 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 118.078 0.939 . . . . 0.0 110.682 175.387 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.532 ' SG ' ' HB2' ' A' ' 44' ' ' TYR . 14.6 p -126.5 -14.32 5.83 Favored 'General case' 0 N--CA 1.465 0.315 0 C-N-CA 120.522 -0.471 . . . . 0.0 111.996 178.093 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 84.16 14.15 72.51 Favored Glycine 0 C--N 1.335 0.475 0 C-N-CA 120.603 -0.808 . . . . 0.0 112.539 178.07 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.532 ' HB2' ' SG ' ' A' ' 42' ' ' CYS . 53.7 t80 -61.88 109.94 1.4 Allowed 'General case' 0 C--O 1.234 0.255 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 -179.338 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 29.6 m -122.65 106.96 11.43 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.647 177.571 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.643 ' O ' ' HB2' ' A' ' 36' ' ' ARG . 13.3 tp10 -107.35 163.9 12.65 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 -178.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 72.6 m-85 -100.99 152.19 20.87 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.102 0.477 . . . . 0.0 112.12 -173.662 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.431 ' HE2' ' HG3' ' A' ' 32' ' ' GLU . 14.2 mmtt . . . . . 0 C--O 1.236 0.357 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.928 -178.21 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 . . . . . 0 N--CA 1.454 -0.245 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.438 ' O ' ' N ' ' A' ' 25' ' ' GLY . 45.3 t -84.42 128.98 59.49 Favored Pre-proline 0 C--N 1.323 -0.565 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.038 -177.597 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_exo -35.8 -58.22 0.47 Allowed 'Trans proline' 0 C--N 1.351 0.685 0 C-N-CA 123.469 2.779 . . . . 0.0 113.759 -172.091 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 10.4 mmm180 -88.73 -35.9 16.45 Favored 'General case' 0 CA--C 1.533 0.315 0 N-CA-C 112.146 0.425 . . . . 0.0 112.146 -173.581 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.557 ' HB3' ' HB ' ' A' ' 28' ' ' VAL . 4.7 m -89.39 -2.51 58.44 Favored 'General case' 0 N--CA 1.473 0.725 0 N-CA-C 111.412 0.153 . . . . 0.0 111.412 -176.174 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 21' ' ' CYS . . . -40.17 -63.73 1.26 Allowed Glycine 0 C--N 1.336 0.545 0 O-C-N 123.688 0.618 . . . . 0.0 113.976 -170.297 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_exo -57.53 93.69 0.06 OUTLIER 'Trans proline' 0 CA--C 1.532 0.412 0 C-N-CA 122.297 1.998 . . . . 0.0 111.941 176.615 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 106.63 -24.46 25.57 Favored Glycine 0 CA--C 1.519 0.337 0 C-N-CA 121.352 -0.451 . . . . 0.0 113.601 174.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.557 ' HB ' ' HB3' ' A' ' 24' ' ' CYS . 21.3 t -127.49 103.94 11.44 Favored 'Isoleucine or valine' 0 C--O 1.238 0.487 0 CA-C-N 117.383 0.591 . . . . 0.0 110.313 -179.747 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 36.7 p90 -70.38 -178.76 1.81 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.639 -0.71 . . . . 0.0 111.218 -178.376 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.585 ' HG ' ' HB3' ' A' ' 37' ' ' TYR . 41.8 tp -112.95 110.21 20.13 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.348 -0.982 . . . . 0.0 108.348 174.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.487 ' O ' ' HA ' ' A' ' 37' ' ' TYR . . . -55.19 97.39 0.02 OUTLIER 'General case' 0 C--O 1.234 0.245 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.75 -173.757 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -80.59 110.33 15.97 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.258 179.034 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 -119.45 157.25 28.63 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.33 178.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -53.39 -29.54 35.25 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 115.889 -0.596 . . . . 0.0 112.126 -175.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -89.24 -38.92 13.88 Favored 'General case' 0 C--O 1.238 0.449 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.272 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 36.9 ptt180 -174.91 175.18 2.4 Favored 'General case' 0 C--O 1.231 0.092 0 CA-C-O 121.37 0.605 . . . . 0.0 111.8 -172.206 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.585 ' HB3' ' HG ' ' A' ' 30' ' ' LEU . 41.0 m-85 -98.31 154.66 17.66 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.034 -0.984 . . . . 0.0 109.461 173.806 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 20.5 p -153.15 159.71 42.76 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 110.395 -0.224 . . . . 0.0 110.395 177.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.661 ' SG ' ' O ' ' A' ' 40' ' ' GLY . 40.4 t -143.49 125.21 15.01 Favored 'General case' 0 CA--C 1.514 -0.44 0 N-CA-C 111.766 0.284 . . . . 0.0 111.766 -178.334 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.661 ' O ' ' SG ' ' A' ' 39' ' ' CYS . . . -70.3 -177.38 21.54 Favored Glycine 0 N--CA 1.445 -0.75 0 N-CA-C 109.961 -1.256 . . . . 0.0 109.961 163.032 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 27.4 ttt-85 74.69 -50.71 0.67 Allowed 'General case' 0 C--N 1.321 -0.648 0 C-N-CA 123.288 0.635 . . . . 0.0 111.087 177.016 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.426 ' SG ' ' HB2' ' A' ' 44' ' ' TYR . 10.5 p -125.18 -10.81 7.03 Favored 'General case' 0 C--N 1.344 0.34 0 C-N-CA 119.894 -0.723 . . . . 0.0 112.263 -179.296 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 77.43 18.42 77.93 Favored Glycine 0 C--N 1.336 0.578 0 C-N-CA 120.649 -0.786 . . . . 0.0 113.208 176.579 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.426 ' HB2' ' SG ' ' A' ' 42' ' ' CYS . 62.4 t80 -66.28 121.69 15.8 Favored 'General case' 0 C--O 1.235 0.334 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 178.849 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 87.2 m -134.18 131.88 39.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.55 -178.46 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -139.96 143.05 36.34 Favored 'General case' 0 C--O 1.222 -0.379 0 N-CA-C 108.693 -0.854 . . . . 0.0 108.693 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 71.1 m-85 -76.24 156.37 33.6 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.637 0.256 . . . . 0.0 111.326 -176.736 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 5.9 mmtt . . . . . 0 C--O 1.233 0.228 0 N-CA-C 109.887 -0.412 . . . . 0.0 109.887 177.612 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.477 ' HA ' ' HA ' ' A' ' 29' ' ' PHE . 42.1 m-85 . . . . . 0 N--CA 1.456 -0.168 0 N-CA-C 109.619 -0.511 . . . . 0.0 109.619 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 46.8 t -51.4 129.7 33.4 Favored Pre-proline 0 C--N 1.331 -0.234 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.843 -175.329 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -36.06 -54.07 0.88 Allowed 'Trans proline' 0 C--N 1.352 0.724 0 C-N-CA 123.663 2.909 . . . . 0.0 113.568 -174.147 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 14.1 mtm180 -97.83 -40.65 8.42 Favored 'General case' 0 CA--C 1.534 0.353 0 N-CA-C 112.116 0.413 . . . . 0.0 112.116 -175.225 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.575 ' HB3' ' HB ' ' A' ' 28' ' ' VAL . 19.4 m -75.94 -2.0 28.28 Favored 'General case' 0 N--CA 1.478 0.934 0 O-C-N 122.303 -0.248 . . . . 0.0 111.327 -179.555 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -37.78 -56.14 1.71 Allowed Glycine 0 C--N 1.336 0.583 0 O-C-N 123.815 0.697 . . . . 0.0 113.507 -173.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_exo -61.69 83.68 0.09 OUTLIER 'Trans proline' 0 C--O 1.236 0.41 0 C-N-CA 122.28 1.987 . . . . 0.0 111.767 174.018 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 118.32 -24.32 8.72 Favored Glycine 0 CA--C 1.521 0.46 0 CA-C-N 116.195 -0.457 . . . . 0.0 113.484 175.08 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.575 ' HB ' ' HB3' ' A' ' 24' ' ' CYS . 46.7 t -134.99 122.42 37.24 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.423 0 CA-C-N 117.409 0.605 . . . . 0.0 111.373 -178.228 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.477 ' HA ' ' HA ' ' A' ' 20' ' ' PHE . 38.5 p90 -78.91 -164.6 0.62 Allowed 'General case' 0 CA--C 1.535 0.401 0 CA-C-N 115.383 -0.826 . . . . 0.0 111.376 179.834 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 38.5 tp -129.17 109.22 10.98 Favored 'General case' 0 C--O 1.234 0.24 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 173.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -73.14 111.56 8.37 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.419 -174.484 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -77.92 131.79 37.62 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-O 120.982 0.42 . . . . 0.0 109.913 174.488 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 76.5 m-70 -125.23 158.57 33.73 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 173.461 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -53.39 -32.66 50.51 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 111.977 0.362 . . . . 0.0 111.977 -175.263 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -95.13 -26.18 16.12 Favored 'General case' 0 C--O 1.236 0.389 0 N-CA-C 112.121 0.415 . . . . 0.0 112.121 -175.546 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.544 ' NH1' HG23 ' A' ' 45' ' ' THR . 25.7 ptt180 -175.51 166.62 3.27 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 121.155 0.502 . . . . 0.0 111.85 -172.08 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -97.49 146.26 25.41 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 108.075 -1.083 . . . . 0.0 108.075 172.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 21.8 t -145.99 162.07 38.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.225 0.536 . . . . 0.0 111.514 -179.006 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.46 ' SG ' ' HB2' ' A' ' 41' ' ' ARG . 27.6 t -137.84 106.67 5.93 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 115.42 -0.809 . . . . 0.0 111.045 -178.767 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -75.07 62.71 2.52 Favored Glycine 0 CA--C 1.52 0.365 0 O-C-N 123.42 0.45 . . . . 0.0 112.156 176.406 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.491 ' HG3' HG23 ' A' ' 28' ' ' VAL . 20.7 mmt180 -159.01 -72.47 0.08 Allowed 'General case' 0 N--CA 1.464 0.235 0 C-N-CA 123.376 0.671 . . . . 0.0 110.023 -178.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.47 ' SG ' ' HB2' ' A' ' 44' ' ' TYR . 31.1 p -96.1 1.15 52.26 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 120.843 0.354 . . . . 0.0 110.793 179.669 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 70.37 28.04 71.86 Favored Glycine 0 C--N 1.334 0.438 0 C-N-CA 120.957 -0.639 . . . . 0.0 111.734 179.215 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.47 ' HB2' ' SG ' ' A' ' 42' ' ' CYS . 61.5 t80 -77.82 108.51 11.1 Favored 'General case' 0 N--CA 1.453 -0.296 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 176.587 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.544 HG23 ' NH1' ' A' ' 36' ' ' ARG . 52.0 m -130.32 124.41 32.24 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.791 -0.641 . . . . 0.0 109.45 179.075 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -129.74 130.79 45.87 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.102 -0.499 . . . . 0.0 109.811 -175.739 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 59.2 m-85 -57.96 147.04 30.34 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 120.73 0.3 . . . . 0.0 110.829 -178.714 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 5.4 tmtt? . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 115.872 -0.603 . . . . 0.0 111.016 -174.316 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 . . . . . 0 C--O 1.233 0.205 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 43.7 t -91.97 123.48 62.87 Favored Pre-proline 0 C--N 1.326 -0.444 0 C-N-CA 120.515 -0.474 . . . . 0.0 110.214 177.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 74.8 Cg_exo -43.54 -49.04 8.08 Favored 'Trans proline' 0 C--N 1.349 0.591 0 C-N-CA 123.186 2.591 . . . . 0.0 113.481 -173.173 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 23.1 mtp180 -86.72 -57.21 3.07 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.317 -174.747 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 3.3 m -73.02 -3.98 29.52 Favored 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 111.862 0.319 . . . . 0.0 111.862 -175.666 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -38.33 -65.18 0.74 Allowed Glycine 0 C--N 1.341 0.848 0 O-C-N 123.517 0.511 . . . . 0.0 114.32 -172.039 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -64.48 81.02 0.17 Allowed 'Trans proline' 0 CA--C 1.533 0.459 0 C-N-CA 122.362 2.041 . . . . 0.0 111.732 178.558 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 131.32 -24.48 4.18 Favored Glycine 0 CA--C 1.519 0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 112.639 178.179 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 19.3 t -133.32 107.44 11.13 Favored 'Isoleucine or valine' 0 C--O 1.239 0.543 0 CA-C-N 116.828 0.314 . . . . 0.0 110.64 -178.567 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 50.8 p90 -62.83 172.6 1.62 Allowed 'General case' 0 C--O 1.237 0.442 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.556 174.46 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 35.8 tp -102.92 117.14 33.95 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 176.235 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.13 89.47 0.08 Allowed 'General case' 0 C--O 1.235 0.342 0 CA-C-O 121.198 0.523 . . . . 0.0 110.548 -177.666 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -75.74 134.37 40.49 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.784 -179.711 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 80.3 m-70 -133.15 152.58 51.94 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 173.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -55.69 -25.37 39.52 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 111.719 0.266 . . . . 0.0 111.719 -177.117 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -92.67 -32.85 14.6 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.656 -178.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 12.4 ptp180 -173.04 170.54 4.4 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 121.161 0.505 . . . . 0.0 111.343 -175.482 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 67.8 m-85 -98.49 149.03 23.14 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.451 -0.795 . . . . 0.0 109.079 174.06 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 33.4 t -142.36 162.26 35.93 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.93 -0.396 . . . . 0.0 109.93 178.735 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.637 ' SG ' ' O ' ' A' ' 40' ' ' GLY . 42.4 t -147.03 125.81 12.65 Favored 'General case' 0 CA--C 1.513 -0.453 0 N-CA-C 111.779 0.289 . . . . 0.0 111.779 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.637 ' O ' ' SG ' ' A' ' 39' ' ' CYS . . . -67.65 178.73 18.56 Favored Glycine 0 N--CA 1.447 -0.579 0 N-CA-C 110.031 -1.228 . . . . 0.0 110.031 163.456 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.452 ' HB2' ' O ' ' A' ' 40' ' ' GLY . 22.6 mmt180 76.14 -53.55 0.61 Allowed 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 123.008 0.523 . . . . 0.0 111.224 177.245 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.42 ' SG ' ' HB2' ' A' ' 44' ' ' TYR . 13.6 p -122.68 -9.1 8.43 Favored 'General case' 0 N--CA 1.464 0.236 0 C-N-CA 119.93 -0.708 . . . . 0.0 112.04 -177.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 72.05 21.12 79.23 Favored Glycine 0 C--N 1.335 0.478 0 C-N-CA 120.625 -0.798 . . . . 0.0 112.91 177.359 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.42 ' HB2' ' SG ' ' A' ' 42' ' ' CYS . 85.3 t80 -63.42 124.83 22.31 Favored 'General case' 0 C--O 1.234 0.286 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 178.086 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 86.9 m -127.74 135.22 49.84 Favored 'General case' 0 C--N 1.327 -0.387 0 O-C-N 123.675 0.609 . . . . 0.0 109.845 178.04 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -139.22 114.61 9.75 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 79.3 m-85 -58.8 145.98 38.73 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.726 0.298 . . . . 0.0 111.044 -179.232 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 31.3 mmtt . . . . . 0 C--O 1.235 0.314 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.699 178.994 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.55 ' HB3' ' HA2' ' A' ' 25' ' ' GLY . 95.0 m-85 . . . . . 0 N--CA 1.454 -0.242 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.42 ' O ' ' N ' ' A' ' 25' ' ' GLY . 50.6 t -61.89 128.14 90.13 Favored Pre-proline 0 C--N 1.327 -0.373 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 178.321 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_exo -40.31 -52.98 2.78 Favored 'Trans proline' 0 C--N 1.349 0.602 0 C-N-CA 123.027 2.484 . . . . 0.0 113.343 -173.7 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 15.7 mmt180 -90.41 -37.68 13.8 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 116.022 -0.536 . . . . 0.0 112.243 -172.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.565 ' SG ' ' HD2' ' A' ' 41' ' ' ARG . 11.0 m -89.03 -0.73 57.67 Favored 'General case' 0 N--CA 1.477 0.898 0 O-C-N 122.357 -0.215 . . . . 0.0 111.377 -178.66 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.55 ' HA2' ' HB3' ' A' ' 20' ' ' PHE . . . -36.6 -62.3 0.8 Allowed Glycine 0 C--N 1.333 0.377 0 O-C-N 123.859 0.724 . . . . 0.0 114.612 -169.405 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 44.7 Cg_exo -57.29 84.72 0.04 OUTLIER 'Trans proline' 0 CA--C 1.535 0.556 0 C-N-CA 122.558 2.172 . . . . 0.0 112.432 178.368 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 113.88 -24.28 12.09 Favored Glycine 0 CA--C 1.521 0.42 0 CA-C-N 115.805 -0.634 . . . . 0.0 113.524 175.721 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.556 ' HB ' ' HB3' ' A' ' 24' ' ' CYS . 44.6 t -126.58 109.67 21.57 Favored 'Isoleucine or valine' 0 C--O 1.237 0.41 0 CA-C-O 121.184 0.516 . . . . 0.0 110.921 -177.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 37.0 p90 -76.43 -163.83 0.35 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.224 -0.898 . . . . 0.0 111.106 -179.64 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.416 ' HG ' ' HB3' ' A' ' 37' ' ' TYR . 30.1 tp -116.94 118.88 33.66 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 176.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -69.03 89.86 0.44 Allowed 'General case' 0 C--O 1.234 0.237 0 CA-C-O 121.046 0.451 . . . . 0.0 111.181 -175.665 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -75.21 126.86 31.89 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.85 178.699 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -130.62 156.85 44.18 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 174.15 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -54.35 -28.51 43.42 Favored 'General case' 0 C--O 1.235 0.314 0 O-C-N 123.296 0.372 . . . . 0.0 111.515 -177.522 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -83.94 -41.43 17.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.022 179.754 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 18.8 ptt180 -177.37 172.3 1.87 Allowed 'General case' 0 N--CA 1.463 0.194 0 CA-C-O 121.23 0.538 . . . . 0.0 111.539 -174.791 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.416 ' HB3' ' HG ' ' A' ' 30' ' ' LEU . 14.1 m-85 -98.67 137.96 36.54 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.246 -0.888 . . . . 0.0 109.046 176.554 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 47.1 t -134.38 161.34 35.27 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.877 0.37 . . . . 0.0 110.499 179.788 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 41.3 t -140.55 88.5 2.2 Favored 'General case' 0 C--O 1.238 0.471 0 CA-C-N 116.598 -0.274 . . . . 0.0 111.738 175.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -67.02 74.83 0.17 Allowed Glycine 0 C--N 1.332 0.354 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 172.2 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.565 ' HD2' ' SG ' ' A' ' 24' ' ' CYS . 0.5 OUTLIER -171.89 -30.68 0.01 OUTLIER 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 109.109 -0.7 . . . . 0.0 109.109 -174.584 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.403 ' SG ' ' HB2' ' A' ' 44' ' ' TYR . 26.0 p -147.45 -3.3 0.55 Allowed 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.718 174.797 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 79.89 22.99 62.65 Favored Glycine 0 C--N 1.338 0.646 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.558 179.71 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.403 ' HB2' ' SG ' ' A' ' 42' ' ' CYS . 59.2 t80 -79.4 123.23 27.31 Favored 'General case' 0 C--O 1.24 0.558 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 176.566 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 62.3 m -140.08 147.6 40.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 123.634 0.584 . . . . 0.0 110.626 -175.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -149.79 138.15 20.61 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 178.203 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 79.2 m-85 -77.07 147.48 36.65 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.66 0.267 . . . . 0.0 110.829 -177.366 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 25.0 mmtt . . . . . 0 C--O 1.233 0.204 0 CA-C-N 116.134 -0.485 . . . . 0.0 109.714 176.883 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 57.6 m-85 . . . . . 0 N--CA 1.455 -0.223 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 52.6 t -63.74 121.9 73.52 Favored Pre-proline 0 C--N 1.325 -0.5 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.316 -177.494 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -42.18 -39.52 6.06 Favored 'Trans proline' 0 C--N 1.351 0.683 0 C-N-CA 123.106 2.538 . . . . 0.0 113.564 -172.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 59.5 mmt-85 -93.78 -55.41 3.26 Favored 'General case' 0 CA--C 1.536 0.419 0 N-CA-C 111.951 0.352 . . . . 0.0 111.951 -177.58 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 4.2 m -75.86 -1.16 23.99 Favored 'General case' 0 N--CA 1.478 0.949 0 N-CA-C 111.665 0.246 . . . . 0.0 111.665 -176.636 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.401 ' O ' ' N ' ' A' ' 27' ' ' GLY . . . -33.52 -62.29 0.41 Allowed Glycine 0 N--CA 1.466 0.663 0 N-CA-C 115.454 0.942 . . . . 0.0 115.454 -169.21 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -53.01 84.09 0.02 OUTLIER 'Trans proline' 0 CA--C 1.535 0.568 0 C-N-CA 122.774 2.316 . . . . 0.0 113.138 -178.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.401 ' N ' ' O ' ' A' ' 25' ' ' GLY . . . 107.41 -24.96 23.04 Favored Glycine 0 CA--C 1.518 0.268 0 CA-C-N 116.031 -0.531 . . . . 0.0 112.735 176.84 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 39.4 t -118.81 98.54 6.53 Favored 'Isoleucine or valine' 0 C--O 1.238 0.5 0 CA-C-O 121.345 0.593 . . . . 0.0 110.117 -178.726 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 37.7 p90 -75.66 -170.07 1.2 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.098 -0.955 . . . . 0.0 111.226 -178.003 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.668 ' HG ' ' HB3' ' A' ' 37' ' ' TYR . 26.7 tp -113.28 101.07 9.06 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 108.549 -0.908 . . . . 0.0 108.549 176.128 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -55.03 107.48 0.31 Allowed 'General case' 0 C--O 1.232 0.172 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.748 -172.46 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -79.36 111.71 15.88 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.553 179.155 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 65.2 m-70 -111.77 153.35 26.66 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 108.851 -0.796 . . . . 0.0 108.851 173.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.51 -22.09 42.01 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.871 0.367 . . . . 0.0 111.389 -178.346 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -91.04 -37.03 13.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.351 178.559 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.571 ' HB2' ' O ' ' A' ' 46' ' ' GLU . 17.1 ptt-85 -176.95 172.01 2.07 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-O 121.072 0.463 . . . . 0.0 111.49 -175.249 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.668 ' HB3' ' HG ' ' A' ' 30' ' ' LEU . 14.7 m-85 -97.5 129.04 44.71 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.256 175.637 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 46.5 p -127.7 157.11 41.21 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.004 0.431 . . . . 0.0 111.022 -179.201 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.679 ' SG ' ' O ' ' A' ' 40' ' ' GLY . 42.9 t -131.07 132.3 44.79 Favored 'General case' 0 CA--C 1.512 -0.486 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.066 177.062 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.679 ' O ' ' SG ' ' A' ' 39' ' ' CYS . . . -73.17 177.96 41.75 Favored Glycine 0 N--CA 1.442 -0.947 0 N-CA-C 109.751 -1.34 . . . . 0.0 109.751 164.558 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 12.5 mmt180 75.65 -54.8 0.63 Allowed 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 117.143 0.472 . . . . 0.0 110.976 175.705 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.6 ' SG ' ' HB2' ' A' ' 44' ' ' TYR . 11.2 p -121.26 -4.23 9.46 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 120.218 -0.593 . . . . 0.0 112.002 -178.855 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 69.48 13.11 67.7 Favored Glycine 0 C--N 1.335 0.475 0 C-N-CA 120.771 -0.728 . . . . 0.0 113.215 175.285 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.6 ' HB2' ' SG ' ' A' ' 42' ' ' CYS . 62.5 t80 -61.53 127.99 34.12 Favored 'General case' 0 C--O 1.234 0.248 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 -178.138 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 94.2 m -134.45 127.42 31.45 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.223 0.535 . . . . 0.0 112.117 -174.345 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.571 ' O ' ' HB2' ' A' ' 36' ' ' ARG . 10.9 tp10 -112.33 157.76 20.6 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 107.704 -1.221 . . . . 0.0 107.704 170.796 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -104.65 151.02 24.19 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 118.333 0.515 . . . . 0.0 111.915 -176.388 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 41.0 mmtt . . . . . 0 C--O 1.234 0.27 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.242 176.567 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 . . . . . 0 C--O 1.233 0.205 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.434 ' O ' ' N ' ' A' ' 25' ' ' GLY . 39.4 t -81.21 111.36 23.77 Favored Pre-proline 0 C--N 1.326 -0.414 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 -178.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 67.1 Cg_exo -43.45 -39.5 9.42 Favored 'Trans proline' 0 C--N 1.35 0.648 0 C-N-CA 123.245 2.63 . . . . 0.0 113.418 -169.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 -85.45 -46.85 10.5 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.605 -175.57 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.444 ' CB ' ' HB ' ' A' ' 28' ' ' VAL . 4.5 m -89.97 -1.33 57.95 Favored 'General case' 0 N--CA 1.472 0.647 0 N-CA-C 111.786 0.291 . . . . 0.0 111.786 -176.489 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 21' ' ' CYS . . . -37.84 -73.46 0.14 Allowed Glycine 0 N--CA 1.464 0.564 0 O-C-N 123.692 0.62 . . . . 0.0 114.168 -168.189 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_exo -60.31 86.11 0.08 OUTLIER 'Trans proline' 0 CA--C 1.532 0.414 0 C-N-CA 122.3 2.0 . . . . 0.0 111.663 175.733 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 131.05 -25.51 4.11 Favored Glycine 0 N--CA 1.452 -0.273 0 CA-C-N 115.777 -0.647 . . . . 0.0 112.508 177.283 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.444 ' HB ' ' CB ' ' A' ' 24' ' ' CYS . 21.9 t -137.02 107.09 5.08 Favored 'Isoleucine or valine' 0 C--O 1.237 0.434 0 CA-C-O 120.839 0.352 . . . . 0.0 110.458 178.223 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 21.1 p90 -65.2 164.3 13.52 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.51 176.521 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 57.3 tp -102.73 107.9 18.95 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.486 -0.931 . . . . 0.0 108.486 172.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.14 94.86 0.02 OUTLIER 'General case' 0 C--O 1.234 0.278 0 O-C-N 123.272 0.358 . . . . 0.0 110.685 -176.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.442 ' HG3' ' CE2' ' A' ' 37' ' ' TYR . 48.4 tt0 -86.12 90.72 8.21 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.804 -179.049 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 66.9 m-70 -89.18 151.25 22.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.418 -0.81 . . . . 0.0 109.3 177.428 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.07 -22.07 48.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.919 0.39 . . . . 0.0 110.29 175.586 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -82.75 -42.53 17.88 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 115.883 -0.598 . . . . 0.0 111.244 177.304 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.478 ' HB2' ' O ' ' A' ' 46' ' ' GLU . 16.1 ptp180 -175.9 173.05 2.36 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-O 121.072 0.463 . . . . 0.0 111.48 -174.078 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.442 ' CE2' ' HG3' ' A' ' 32' ' ' GLU . 33.0 m-85 -97.5 140.47 31.89 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 108.68 -0.859 . . . . 0.0 108.68 174.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 31.2 t -144.11 148.46 35.13 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 121.202 0.525 . . . . 0.0 111.808 -177.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 45.5 t -139.59 87.18 2.16 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.024 175.38 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -71.57 69.21 0.94 Allowed Glycine 0 C--N 1.335 0.474 0 O-C-N 123.425 0.453 . . . . 0.0 112.617 -179.345 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 16.7 mmt180 -160.31 -48.22 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 123.555 0.742 . . . . 0.0 109.418 -179.552 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 17.8 p -116.33 -14.59 11.02 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.441 176.635 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 89.77 27.36 22.02 Favored Glycine 0 C--N 1.335 0.485 0 C-N-CA 121.182 -0.532 . . . . 0.0 113.061 176.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 52.7 t80 -78.87 108.78 12.58 Favored 'General case' 0 C--O 1.237 0.434 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 174.532 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 49.3 m -140.29 146.39 38.5 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.195 -177.033 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.478 ' O ' ' HB2' ' A' ' 36' ' ' ARG . 13.7 tp10 -162.06 144.07 11.18 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 109.738 -0.468 . . . . 0.0 109.738 -179.221 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 86.7 m-85 -65.82 155.73 35.39 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-O 120.938 0.399 . . . . 0.0 111.233 -179.191 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 12.8 mmtt . . . . . 0 C--O 1.234 0.266 0 CA-C-O 121.432 0.634 . . . . 0.0 110.032 174.777 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 . . . . . 0 C--O 1.235 0.326 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 47.9 t -88.34 123.59 68.06 Favored Pre-proline 0 C--N 1.325 -0.481 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 176.304 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_endo -53.72 -23.55 26.85 Favored 'Trans proline' 0 CA--C 1.535 0.56 0 C-N-CA 122.964 2.443 . . . . 0.0 113.692 -169.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.54 ' NE ' ' HA ' ' A' ' 23' ' ' ARG . 4.1 mmp_? -106.2 -47.83 3.73 Favored 'General case' 0 N--CA 1.468 0.44 0 O-C-N 122.165 -0.334 . . . . 0.0 111.735 177.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.469 ' HB3' ' HB ' ' A' ' 28' ' ' VAL . 7.7 m -81.34 -0.06 39.41 Favored 'General case' 0 N--CA 1.474 0.771 0 N-CA-C 111.814 0.302 . . . . 0.0 111.814 -177.497 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -33.85 -62.19 0.45 Allowed Glycine 0 C--N 1.339 0.733 0 O-C-N 123.653 0.596 . . . . 0.0 114.133 -172.684 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 28.4 Cg_endo -62.75 98.65 0.2 Allowed 'Trans proline' 0 CA--C 1.534 0.493 0 C-N-CA 122.353 2.035 . . . . 0.0 112.108 176.223 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 106.54 -24.91 24.58 Favored Glycine 0 CA--C 1.518 0.248 0 CA-C-N 115.999 -0.546 . . . . 0.0 113.298 175.45 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.469 ' HB ' ' HB3' ' A' ' 24' ' ' CYS . 18.0 t -132.32 106.15 10.41 Favored 'Isoleucine or valine' 0 C--O 1.237 0.43 0 CA-C-N 117.187 0.494 . . . . 0.0 110.527 -178.651 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 41.7 p90 -72.02 -174.2 1.19 Allowed 'General case' 0 C--O 1.236 0.35 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.101 176.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.414 ' HG ' ' HB3' ' A' ' 37' ' ' TYR . 27.8 tp -106.31 113.72 27.41 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 177.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.21 97.17 0.03 OUTLIER 'General case' 0 C--O 1.233 0.219 0 CA-C-O 121.113 0.482 . . . . 0.0 110.78 -177.353 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 59.1 tt0 -84.48 125.22 32.19 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.633 -176.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 76.1 m-70 -128.13 156.47 42.81 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 176.48 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.32 -26.31 62.91 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 120.685 0.279 . . . . 0.0 111.609 -177.194 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -89.08 -36.26 15.86 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.487 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 15.5 ptp180 -168.52 166.22 12.16 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.326 0.584 . . . . 0.0 112.056 -169.629 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.414 ' HB3' ' HG ' ' A' ' 30' ' ' LEU . 62.1 m-85 -98.42 140.55 32.5 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 114.959 -1.018 . . . . 0.0 108.258 168.682 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 9.5 t -142.68 162.32 35.78 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 120.828 0.347 . . . . 0.0 110.112 -177.746 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.687 ' SG ' ' O ' ' A' ' 40' ' ' GLY . 46.1 t -149.19 127.99 12.54 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.589 -178.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.687 ' O ' ' SG ' ' A' ' 39' ' ' CYS . . . -73.39 -170.19 18.87 Favored Glycine 0 N--CA 1.443 -0.87 0 N-CA-C 109.468 -1.453 . . . . 0.0 109.468 161.764 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 14.5 mmt85 73.5 -48.17 0.67 Allowed 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 117.315 0.557 . . . . 0.0 111.243 175.636 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 15.7 p -126.87 -15.88 5.29 Favored 'General case' 0 C--N 1.342 0.267 0 C-N-CA 120.404 -0.518 . . . . 0.0 111.743 177.451 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 79.07 25.41 59.79 Favored Glycine 0 C--N 1.331 0.291 0 C-N-CA 120.399 -0.905 . . . . 0.0 112.474 179.701 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 79.3 t80 -71.54 116.0 11.38 Favored 'General case' 0 C--O 1.233 0.227 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 175.741 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 74.5 m -133.47 126.08 30.37 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.458 178.517 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -137.03 126.81 25.56 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -59.87 156.88 13.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.872 0.367 . . . . 0.0 111.658 -175.615 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 29.1 mmtt . . . . . 0 C--O 1.232 0.164 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.496 176.365 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 90.3 m-85 . . . . . 0 C--O 1.232 0.14 0 N-CA-C 110.138 -0.319 . . . . 0.0 110.138 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.405 ' O ' ' N ' ' A' ' 25' ' ' GLY . 46.1 t -71.25 121.7 84.99 Favored Pre-proline 0 C--N 1.33 -0.277 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 -179.282 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -38.62 -45.87 2.46 Favored 'Trans proline' 0 C--N 1.35 0.647 0 C-N-CA 123.514 2.81 . . . . 0.0 113.991 -171.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 5.1 mmp_? -91.48 -47.52 7.38 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.507 -176.471 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.534 ' HB3' ' HB ' ' A' ' 28' ' ' VAL . 8.3 m -81.57 -1.25 45.68 Favored 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 111.597 0.221 . . . . 0.0 111.597 -175.527 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.405 ' N ' ' O ' ' A' ' 21' ' ' CYS . . . -40.82 -64.0 1.34 Allowed Glycine 0 C--N 1.338 0.648 0 O-C-N 123.495 0.497 . . . . 0.0 114.168 -171.357 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_endo -68.02 83.78 0.44 Allowed 'Trans proline' 0 N--CA 1.461 -0.441 0 C-N-CA 122.116 1.877 . . . . 0.0 111.725 177.071 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 131.36 -25.13 4.09 Favored Glycine 0 CA--C 1.519 0.326 0 CA-C-N 115.985 -0.552 . . . . 0.0 113.373 175.706 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.534 ' HB ' ' HB3' ' A' ' 24' ' ' CYS . 42.3 t -132.3 133.2 60.41 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.42 0 CA-C-N 117.265 0.532 . . . . 0.0 110.754 -178.888 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 49.4 p90 -77.27 178.72 6.88 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.612 -178.353 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 44.7 tp -127.5 107.96 10.39 Favored 'General case' 0 C--O 1.234 0.269 0 N-CA-C 108.987 -0.746 . . . . 0.0 108.987 174.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.5 ' HB3' ' HB3' ' A' ' 38' ' ' SER . . . -62.62 97.9 0.11 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.881 0.372 . . . . 0.0 110.981 -176.455 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -82.25 132.1 35.23 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.549 -179.779 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 75.9 m-70 -134.84 155.56 50.43 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 176.509 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.23 -22.82 53.7 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.922 0.392 . . . . 0.0 111.435 -177.49 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -94.16 -34.96 12.73 Favored 'General case' 0 C--O 1.237 0.422 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.464 -179.627 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 21.4 ptt180 -173.4 168.02 4.63 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 121.225 0.536 . . . . 0.0 111.848 -170.464 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 50.1 m-85 -99.91 148.87 24.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.322 -0.854 . . . . 0.0 109.159 173.722 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.5 ' HB3' ' HB3' ' A' ' 31' ' ' ALA . 32.6 t -135.09 147.85 49.67 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.044 0.45 . . . . 0.0 111.034 -177.176 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 41.8 t -141.03 89.67 2.26 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.89 174.299 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -71.17 63.33 1.0 Allowed Glycine 0 CA--C 1.521 0.434 0 O-C-N 123.417 0.448 . . . . 0.0 112.286 176.083 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 20.7 tpt180 -161.04 -29.97 0.05 Allowed 'General case' 0 CA--C 1.532 0.26 0 N-CA-C 109.955 -0.387 . . . . 0.0 109.955 -178.484 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 15.5 p -139.01 3.46 2.21 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-O 120.706 0.289 . . . . 0.0 110.421 172.066 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 77.35 15.55 81.36 Favored Glycine 0 C--N 1.334 0.463 0 C-N-CA 121.152 -0.547 . . . . 0.0 112.993 175.401 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 72.7 t80 -64.39 107.05 1.24 Allowed 'General case' 0 C--O 1.237 0.424 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 178.22 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 14.8 m -128.23 115.76 18.84 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.288 -0.869 . . . . 0.0 109.545 -179.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -132.27 129.6 39.8 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.087 -178.181 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 82.7 m-85 -72.97 151.95 41.59 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.867 0.365 . . . . 0.0 110.86 -178.234 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 44.0 mmtt . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 115.638 -0.71 . . . . 0.0 112.515 -176.989 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 62.7 m-85 . . . . . 0 CA--C 1.53 0.187 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.455 ' SG ' ' HD2' ' A' ' 22' ' ' PRO . 49.3 t -78.09 140.8 62.06 Favored Pre-proline 0 N--CA 1.463 0.221 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 178.093 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.455 ' HD2' ' SG ' ' A' ' 21' ' ' CYS . 52.0 Cg_exo -51.52 -71.48 0.04 OUTLIER 'Trans proline' 0 C--N 1.348 0.551 0 C-N-CA 122.32 2.013 . . . . 0.0 112.776 -176.321 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 79.4 mtm-85 -76.56 -38.43 55.0 Favored 'General case' 0 CA--C 1.532 0.265 0 N-CA-C 112.319 0.489 . . . . 0.0 112.319 -171.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.42 ' HB3' ' HB ' ' A' ' 28' ' ' VAL . 4.3 m -80.92 -3.67 52.27 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 120.908 -0.317 . . . . 0.0 110.97 -179.876 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -42.05 -58.18 3.32 Favored Glycine 0 C--N 1.339 0.72 0 O-C-N 123.492 0.495 . . . . 0.0 113.399 -173.282 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_exo -60.29 88.57 0.08 OUTLIER 'Trans proline' 0 CA--C 1.532 0.394 0 C-N-CA 122.263 1.976 . . . . 0.0 111.686 173.441 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 115.64 -25.13 9.84 Favored Glycine 0 CA--C 1.522 0.481 0 CA-C-N 116.028 -0.533 . . . . 0.0 113.518 175.004 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.42 ' HB ' ' HB3' ' A' ' 24' ' ' CYS . 39.9 t -128.13 120.07 52.56 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.438 0 CA-C-N 117.52 0.66 . . . . 0.0 110.942 -177.405 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 48.4 p90 -76.25 -174.49 2.82 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.52 177.549 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 34.7 tp -118.91 119.99 35.98 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 175.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -66.09 90.24 0.14 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.25 0.548 . . . . 0.0 110.938 -176.227 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -77.84 102.26 7.16 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.512 178.728 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 67.4 m-70 -106.38 153.58 22.03 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.195 -0.668 . . . . 0.0 109.195 175.339 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.57 -24.0 63.37 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 120.849 0.357 . . . . 0.0 111.029 -179.74 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -82.62 -40.93 20.13 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.89 177.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.482 ' CB ' ' HA ' ' A' ' 47' ' ' PHE . 16.2 ptt180 -179.15 173.23 1.17 Allowed 'General case' 0 C--O 1.233 0.209 0 CA-C-O 121.09 0.472 . . . . 0.0 111.442 -173.695 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 41.0 m-85 -98.17 138.55 35.28 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.423 -0.808 . . . . 0.0 109.392 175.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 22.0 p -135.4 151.68 50.69 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.958 0.408 . . . . 0.0 110.584 178.433 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.482 ' SG ' ' HB3' ' A' ' 41' ' ' ARG . 48.8 t -134.84 88.3 2.42 Favored 'General case' 0 C--O 1.239 0.535 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.582 177.787 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -65.18 72.2 0.08 OUTLIER Glycine 0 C--N 1.333 0.405 0 N-CA-C 111.462 -0.655 . . . . 0.0 111.462 172.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.482 ' HB3' ' SG ' ' A' ' 39' ' ' CYS . 25.8 tpt180 -168.95 -38.66 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 -174.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 29.1 p -136.98 -2.08 2.12 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.308 176.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 77.64 28.7 56.78 Favored Glycine 0 C--N 1.334 0.445 0 C-N-CA 120.849 -0.691 . . . . 0.0 112.412 178.629 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 69.3 t80 -86.98 109.04 19.11 Favored 'General case' 0 C--O 1.236 0.386 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 176.585 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 39.1 m -130.74 134.59 47.02 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.808 179.695 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.415 ' O ' ' HB2' ' A' ' 36' ' ' ARG . 10.6 tp10 -142.68 133.43 25.38 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.913 -0.403 . . . . 0.0 109.913 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.482 ' HA ' ' CB ' ' A' ' 36' ' ' ARG . 93.0 m-85 -72.87 151.96 41.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.036 0.446 . . . . 0.0 111.749 -175.731 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 43.3 mmtt . . . . . 0 N--CA 1.463 0.216 0 CA-C-N 115.613 -0.722 . . . . 0.0 111.578 -179.185 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 . . . . . 0 C--O 1.233 0.208 0 N-CA-C 109.961 -0.385 . . . . 0.0 109.961 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.652 ' SG ' ' HD2' ' A' ' 22' ' ' PRO . 44.5 t -101.55 143.18 26.09 Favored Pre-proline 0 C--N 1.33 -0.256 0 N-CA-C 110.133 -0.321 . . . . 0.0 110.133 179.091 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.652 ' HD2' ' SG ' ' A' ' 21' ' ' CYS . 18.2 Cg_endo -58.73 -48.93 13.0 Favored 'Trans proline' 0 C--N 1.35 0.657 0 C-N-CA 122.266 1.978 . . . . 0.0 112.718 -175.094 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 30.3 mmt180 -88.02 -60.17 2.04 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-O 120.768 0.318 . . . . 0.0 110.98 -176.131 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.8 m -71.5 -1.25 12.67 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 111.778 0.288 . . . . 0.0 111.778 -175.612 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -34.26 -67.07 0.26 Allowed Glycine 0 C--N 1.342 0.875 0 O-C-N 123.622 0.576 . . . . 0.0 114.363 -172.682 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -55.6 95.98 0.05 OUTLIER 'Trans proline' 0 C--O 1.238 0.504 0 C-N-CA 122.382 2.054 . . . . 0.0 112.087 178.2 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 106.02 -24.31 26.9 Favored Glycine 0 C--N 1.331 0.259 0 CA-C-N 116.067 -0.515 . . . . 0.0 112.891 176.594 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 19.3 t -126.77 98.72 4.95 Favored 'Isoleucine or valine' 0 C--O 1.239 0.523 0 CA-C-N 117.032 0.416 . . . . 0.0 110.732 -177.6 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 48.4 p90 -72.81 174.48 7.64 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.232 177.327 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.416 HD23 ' HB3' ' A' ' 37' ' ' TYR . 51.9 tp -94.99 118.75 32.34 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 177.723 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.99 88.11 0.01 OUTLIER 'General case' 0 C--O 1.234 0.274 0 CA-C-O 121.324 0.583 . . . . 0.0 110.071 178.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -82.19 111.96 18.77 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.197 -0.91 . . . . 0.0 110.397 -176.352 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.424 ' O ' ' HE3' ' A' ' 48' ' ' LYS . 90.1 m-70 -118.0 156.49 28.46 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.046 179.109 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.2 -26.84 68.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.137 0.494 . . . . 0.0 110.717 177.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -80.87 -36.64 31.08 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.432 179.049 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 6.1 ptp180 -177.06 -178.2 0.8 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.16 0.505 . . . . 0.0 111.193 -167.554 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.416 ' HB3' HD23 ' A' ' 30' ' ' LEU . 47.1 m-85 -113.83 139.4 49.18 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.563 -0.903 . . . . 0.0 108.563 174.211 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.409 ' O ' HD12 ' A' ' 30' ' ' LEU . 46.9 t -137.58 156.19 48.36 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.663 0.268 . . . . 0.0 110.385 -178.225 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.615 ' SG ' ' O ' ' A' ' 40' ' ' GLY . 53.4 t -149.17 124.84 10.44 Favored 'General case' 0 CA--C 1.514 -0.43 0 N-CA-C 111.815 0.302 . . . . 0.0 111.815 178.18 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.615 ' O ' ' SG ' ' A' ' 39' ' ' CYS . . . -66.08 178.54 12.82 Favored Glycine 0 N--CA 1.447 -0.576 0 N-CA-C 110.004 -1.238 . . . . 0.0 110.004 162.685 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.509 ' HB2' ' O ' ' A' ' 40' ' ' GLY . 9.4 mmt180 76.56 -48.2 0.55 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 117.238 0.519 . . . . 0.0 111.587 177.598 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 20.9 p -125.13 -13.67 6.72 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 119.922 -0.711 . . . . 0.0 112.061 179.801 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 76.19 19.56 78.32 Favored Glycine 0 C--N 1.333 0.363 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.676 178.185 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 71.6 t80 -61.07 126.53 27.71 Favored 'General case' 0 C--O 1.234 0.278 0 N-CA-C 109.887 -0.412 . . . . 0.0 109.887 179.755 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 5.7 m -134.15 140.64 46.68 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.955 -177.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -150.84 105.98 3.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.177 -179.488 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 72.4 m-85 -67.54 136.81 55.1 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 110.28 -0.267 . . . . 0.0 110.28 178.239 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.424 ' HE3' ' O ' ' A' ' 33' ' ' HIS . 74.2 mttt . . . . . 0 N--CA 1.467 0.399 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.324 -179.665 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 58.0 m-85 . . . . . 0 N--CA 1.449 -0.488 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 48.6 t -82.31 133.59 50.18 Favored Pre-proline 0 C--N 1.321 -0.638 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 179.372 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -43.35 -60.76 0.68 Allowed 'Trans proline' 0 C--N 1.349 0.604 0 C-N-CA 122.753 2.302 . . . . 0.0 113.235 -171.494 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 54.2 mtm180 -87.57 -35.56 18.04 Favored 'General case' 0 CA--C 1.532 0.273 0 N-CA-C 112.448 0.536 . . . . 0.0 112.448 -174.608 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.522 ' HB3' ' HB ' ' A' ' 28' ' ' VAL . 4.3 m -83.54 -1.39 53.63 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 120.735 -0.386 . . . . 0.0 111.111 -178.882 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -42.2 -56.15 4.06 Favored Glycine 0 CA--C 1.523 0.534 0 O-C-N 123.524 0.515 . . . . 0.0 114.273 -173.059 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 48.3 Cg_endo -68.78 76.71 0.79 Allowed 'Trans proline' 0 CA--C 1.534 0.519 0 C-N-CA 122.34 2.026 . . . . 0.0 112.179 177.288 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 131.35 -25.49 4.04 Favored Glycine 0 C--N 1.333 0.402 0 CA-C-N 116.131 -0.486 . . . . 0.0 113.192 174.645 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.522 ' HB ' ' HB3' ' A' ' 24' ' ' CYS . 39.7 t -129.51 114.72 32.12 Favored 'Isoleucine or valine' 0 C--O 1.237 0.423 0 CA-C-N 117.114 0.457 . . . . 0.0 110.564 -179.428 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 20.2 p90 -72.92 -167.06 0.35 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.075 -179.444 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 33.7 tp -132.42 105.84 7.52 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 177.307 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.66 115.62 4.11 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.4 -175.245 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -88.19 125.35 34.58 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-O 121.183 0.516 . . . . 0.0 111.131 179.245 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 57.5 m-70 -124.31 151.74 43.91 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 107.917 -1.142 . . . . 0.0 107.917 169.349 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.02 -22.65 61.02 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.204 0.526 . . . . 0.0 110.227 179.177 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -81.56 -43.23 18.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.193 -0.912 . . . . 0.0 110.886 179.394 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 32.2 ptt180 -173.48 -179.9 1.97 Allowed 'General case' 0 CA--C 1.531 0.22 0 CA-C-O 121.241 0.543 . . . . 0.0 111.827 -167.715 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 82.1 m-85 -104.66 147.18 27.94 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 115.059 -0.973 . . . . 0.0 109.016 173.165 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 24.0 t -134.45 140.44 46.25 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-O 120.786 0.327 . . . . 0.0 110.8 -179.38 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.607 ' SG ' ' O ' ' A' ' 40' ' ' GLY . 42.6 t -139.42 125.87 20.37 Favored 'General case' 0 CA--C 1.514 -0.414 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.651 177.464 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.607 ' O ' ' SG ' ' A' ' 39' ' ' CYS . . . -70.47 176.91 34.25 Favored Glycine 0 N--CA 1.444 -0.814 0 N-CA-C 110.12 -1.192 . . . . 0.0 110.12 164.165 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.419 ' HB3' ' O ' ' A' ' 40' ' ' GLY . 35.4 ttt85 76.09 -44.21 0.49 Allowed 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 122.936 0.494 . . . . 0.0 112.168 175.097 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.491 ' SG ' ' HB2' ' A' ' 44' ' ' TYR . 9.6 p -127.66 -6.04 5.75 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 119.656 -0.818 . . . . 0.0 111.957 177.106 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 70.46 22.69 77.81 Favored Glycine 0 C--N 1.334 0.438 0 C-N-CA 120.435 -0.888 . . . . 0.0 112.292 174.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.491 ' HB2' ' SG ' ' A' ' 42' ' ' CYS . 62.3 t80 -59.12 104.92 0.28 Allowed 'General case' 0 C--O 1.236 0.383 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 177.036 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 6.1 m -125.99 108.39 11.35 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.123 -179.748 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -134.06 127.29 31.92 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.288 -177.181 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 70.2 m-85 -61.44 156.93 18.07 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.758 -177.1 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 54.0 mmtt . . . . . 0 N--CA 1.47 0.572 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.692 174.691 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.52 ' SD ' ' N ' ' A' ' 1' ' ' MET . 1.3 mpt? . . . . . 0 N--CA 1.483 1.206 0 N-CA-C 110.343 -0.243 . . . . 0.0 110.343 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 67.22 105.15 0.05 OUTLIER 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.711 -178.295 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.723 ' HD3' ' H ' ' A' ' 3' ' ' LYS . 0.2 OUTLIER -101.68 125.88 48.43 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 176.714 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.579 ' HD2' ' N ' ' A' ' 4' ' ' ARG . 1.5 mpt_? -98.8 92.37 5.53 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 -178.8 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -121.83 76.14 1.26 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.52 -177.257 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.43 ' N ' HD11 ' A' ' 6' ' ' LEU . 6.3 mp -93.49 83.67 4.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.406 175.759 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 24.7 p90 -98.76 134.01 42.26 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.901 -177.607 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -80.52 178.63 8.2 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.428 -0.805 . . . . 0.0 111.373 -177.036 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.442 HG12 ' HB3' ' A' ' 55' ' ' SER . 33.4 pt -139.28 149.31 23.08 Favored 'Isoleucine or valine' 0 C--O 1.236 0.372 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.785 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -114.51 90.12 3.26 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 174.488 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -105.95 133.72 50.22 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.563 -175.296 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -66.58 101.25 0.61 Allowed Glycine 0 N--CA 1.452 -0.278 0 N-CA-C 111.532 -0.627 . . . . 0.0 111.532 177.005 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -63.77 88.31 0.04 OUTLIER 'General case' 0 CA--C 1.531 0.237 0 CA-C-O 120.949 0.404 . . . . 0.0 110.846 -177.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 88.9 mt -95.26 96.18 9.0 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.383 179.046 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 59.7 t -132.15 100.36 4.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.488 178.449 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 73.3 mtt-85 -72.65 88.67 1.28 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.051 0.453 . . . . 0.0 110.263 -179.59 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 83.3 tttt -59.4 162.32 4.9 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.58 -178.391 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 59.9 m-70 65.12 52.27 1.53 Allowed 'General case' 0 N--CA 1.467 0.395 0 CA-C-O 121.345 0.593 . . . . 0.0 109.411 -174.381 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.429 ' HD3' ' O ' ' A' ' 20' ' ' PHE . 0.6 OUTLIER -76.79 108.66 9.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.613 -0.722 . . . . 0.0 109.315 179.902 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.429 ' O ' ' HD3' ' A' ' 19' ' ' ARG . 88.8 m-85 -76.42 173.45 11.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.318 0.58 . . . . 0.0 111.514 -175.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.427 ' O ' ' N ' ' A' ' 25' ' ' GLY . 43.9 t -87.93 118.46 69.69 Favored Pre-proline 0 C--N 1.327 -0.409 0 N-CA-C 108.566 -0.902 . . . . 0.0 108.566 175.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_exo -37.38 -58.43 0.59 Allowed 'Trans proline' 0 C--N 1.349 0.567 0 C-N-CA 123.574 2.849 . . . . 0.0 114.092 -165.404 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 41.8 mtm180 -86.39 -29.89 22.56 Favored 'General case' 0 CA--C 1.534 0.334 0 N-CA-C 112.244 0.461 . . . . 0.0 112.244 -173.509 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.529 ' HB3' ' HB ' ' A' ' 28' ' ' VAL . 8.2 m -89.47 -6.32 56.56 Favored 'General case' 0 N--CA 1.473 0.716 0 O-C-N 122.313 -0.242 . . . . 0.0 111.145 -179.11 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.427 ' N ' ' O ' ' A' ' 21' ' ' CYS . . . -40.81 -65.95 0.96 Allowed Glycine 0 C--N 1.336 0.546 0 O-C-N 123.73 0.644 . . . . 0.0 113.693 -169.511 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_exo -65.77 90.79 0.24 Allowed 'Trans proline' 0 C--O 1.235 0.365 0 C-N-CA 122.292 1.995 . . . . 0.0 111.326 175.538 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 124.65 -24.77 6.04 Favored Glycine 0 C--N 1.329 0.163 0 CA-C-N 116.133 -0.485 . . . . 0.0 112.513 177.149 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.529 ' HB ' ' HB3' ' A' ' 24' ' ' CYS . 25.3 t -136.22 98.96 1.95 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.503 0 CA-C-O 120.751 0.31 . . . . 0.0 110.524 178.67 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 17.2 p90 -64.17 160.76 17.7 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.169 -0.469 . . . . 0.0 109.895 175.293 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.675 ' HG ' ' HB3' ' A' ' 37' ' ' TYR . 26.7 tp -93.43 111.36 23.01 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 108.376 -0.972 . . . . 0.0 108.376 176.13 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.475 ' O ' ' HA ' ' A' ' 37' ' ' TYR . . . -52.26 92.33 0.01 OUTLIER 'General case' 0 C--O 1.235 0.305 0 O-C-N 123.513 0.508 . . . . 0.0 111.42 -174.144 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 44.9 tt0 -78.24 107.16 10.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.718 -179.202 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 90.9 m-70 -102.92 160.96 14.14 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.329 -0.85 . . . . 0.0 109.451 173.481 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.3 -27.22 54.76 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.183 0.438 . . . . 0.0 112.183 -175.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -110.44 -15.91 13.81 Favored 'General case' 0 CA--C 1.532 0.258 0 N-CA-C 112.189 0.44 . . . . 0.0 112.189 -175.039 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 34.6 ptt-85 -171.0 -169.69 0.78 Allowed 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 120.472 -0.491 . . . . 0.0 111.894 -173.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.675 ' HB3' ' HG ' ' A' ' 30' ' ' LEU . 51.7 m-85 -131.24 160.31 35.25 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 124.16 0.984 . . . . 0.0 108.628 179.069 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 9.6 t -157.26 162.3 39.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.785 0.326 . . . . 0.0 110.378 173.036 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 37.0 t -134.71 90.97 2.71 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.642 -177.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -66.01 78.55 0.11 Allowed Glycine 0 C--N 1.332 0.337 0 N-CA-C 111.579 -0.609 . . . . 0.0 111.579 173.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 8.2 tpt180 -176.94 -51.28 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 -176.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 14.3 p -127.26 4.82 6.34 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.668 178.612 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 77.25 12.37 84.66 Favored Glycine 0 C--N 1.335 0.527 0 C-N-CA 121.01 -0.614 . . . . 0.0 113.207 175.124 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 51.3 t80 -69.91 111.25 5.5 Favored 'General case' 0 C--O 1.236 0.384 0 N-CA-C 109.67 -0.492 . . . . 0.0 109.67 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.448 HG22 ' O ' ' A' ' 37' ' ' TYR . 98.9 m -124.53 135.91 53.56 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.682 179.147 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -141.8 147.23 36.94 Favored 'General case' 0 C--O 1.22 -0.497 0 N-CA-C 108.608 -0.886 . . . . 0.0 108.608 -177.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -96.03 153.0 18.01 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 118.176 0.444 . . . . 0.0 111.625 -176.148 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 67.9 mmtt -67.14 90.39 0.2 Allowed 'General case' 0 C--O 1.234 0.279 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 171.212 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -62.26 118.06 6.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.166 -175.319 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.77 123.98 19.46 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.388 177.414 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.636 ' HZ3' ' HB3' ' A' ' 51' ' ' LYS . 1.7 mmmp? -79.3 95.24 5.64 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.93 -0.396 . . . . 0.0 109.93 -177.689 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -74.08 80.6 1.73 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.313 0.578 . . . . 0.0 110.677 -178.513 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 31.9 p -95.26 145.49 25.03 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.556 -0.747 . . . . 0.0 109.625 175.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.674 ' HB2' ' HZ3' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -61.86 -24.23 66.77 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 120.966 0.412 . . . . 0.0 110.522 177.601 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.442 ' HB3' HG12 ' A' ' 9' ' ' ILE . 34.4 t . . . . . 0 C--O 1.249 1.028 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 175.274 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.4 ptt? . . . . . 0 N--CA 1.482 1.161 0 CA-C-O 120.664 0.269 . . . . 0.0 110.478 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 29.2 pt20 -141.07 147.78 39.14 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.217 -0.66 . . . . 0.0 109.217 175.019 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 58.0 pttt -121.93 144.41 48.88 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.918 0.389 . . . . 0.0 111.131 -174.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 25.8 mtm180 -77.74 90.13 4.02 Favored 'General case' 0 C--O 1.235 0.326 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 177.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -147.48 91.56 1.98 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.906 -175.086 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 85.8 mt -121.01 107.76 13.04 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.301 -179.438 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 93.4 m-85 -71.71 89.02 1.0 Allowed 'General case' 0 C--O 1.235 0.337 0 CA-C-O 121.161 0.505 . . . . 0.0 110.638 -179.304 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -79.64 175.48 10.58 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.253 -177.262 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 69.6 mt -135.21 99.92 2.58 Favored 'Isoleucine or valine' 0 C--O 1.234 0.282 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.156 -177.611 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -141.24 3.5 1.76 Allowed 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 120.741 0.305 . . . . 0.0 111.437 -179.508 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 11.3 p-10 -89.63 -161.76 0.81 Allowed 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 120.731 0.3 . . . . 0.0 110.825 -177.582 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 85.46 -46.71 3.7 Favored Glycine 0 C--N 1.333 0.406 0 C-N-CA 121.342 -0.456 . . . . 0.0 113.22 175.358 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 58.0 mttp -82.71 38.59 0.58 Allowed 'General case' 0 N--CA 1.467 0.417 0 CA-C-O 120.7 0.286 . . . . 0.0 111.626 -175.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.413 HD23 ' HB3' ' A' ' 53' ' ' SER . 99.3 mt -80.88 -34.52 33.52 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.732 0.301 . . . . 0.0 110.582 179.649 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 7.1 p -63.25 -31.5 52.99 Favored 'Isoleucine or valine' 0 C--O 1.235 0.296 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.937 177.646 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 38.2 ttm180 -158.94 111.03 2.18 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.996 -179.709 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.463 ' N ' ' HD2' ' A' ' 17' ' ' LYS . 11.9 mptt -73.89 96.6 2.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.394 -176.059 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 76.4 m-70 -88.68 59.31 5.05 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.036 0.446 . . . . 0.0 110.832 176.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 91.5 mtt-85 -94.23 98.61 11.06 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 175.536 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 75.7 m-85 -73.14 165.07 25.73 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.361 -176.402 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.403 ' O ' ' N ' ' A' ' 25' ' ' GLY . 42.6 t -71.0 125.44 92.01 Favored Pre-proline 0 C--N 1.328 -0.361 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 -179.693 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -44.63 -46.64 12.16 Favored 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 122.785 2.323 . . . . 0.0 113.407 -171.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 29.6 mmt85 -87.7 -44.59 11.06 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 112.021 -175.711 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.445 ' HB3' ' HB ' ' A' ' 28' ' ' VAL . 5.6 m -87.63 -0.76 57.32 Favored 'General case' 0 N--CA 1.473 0.724 0 N-CA-C 111.828 0.307 . . . . 0.0 111.828 -175.185 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 21' ' ' CYS . . . -38.28 -62.04 1.14 Allowed Glycine 0 N--CA 1.464 0.54 0 O-C-N 123.607 0.567 . . . . 0.0 114.23 -171.673 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 26.8 Cg_exo -63.09 81.63 0.11 Allowed 'Trans proline' 0 CA--C 1.534 0.504 0 C-N-CA 122.577 2.184 . . . . 0.0 112.218 177.577 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 125.59 -24.84 5.75 Favored Glycine 0 CA--C 1.519 0.34 0 C-N-CA 121.35 -0.452 . . . . 0.0 112.954 176.41 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.445 ' HB ' ' HB3' ' A' ' 24' ' ' CYS . 43.0 t -132.76 109.67 14.74 Favored 'Isoleucine or valine' 0 C--O 1.238 0.49 0 CA-C-O 121.019 0.438 . . . . 0.0 111.016 -178.851 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 31.8 p90 -71.12 -171.94 0.63 Allowed 'General case' 0 C--O 1.236 0.358 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.979 177.13 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 36.4 tp -110.23 113.85 26.85 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 176.58 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.91 112.82 3.09 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-O 120.865 0.364 . . . . 0.0 110.73 -176.316 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -90.65 116.76 28.78 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.577 -179.051 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 66.0 m-70 -112.34 152.58 28.4 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 175.02 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -53.83 -31.48 49.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.868 0.366 . . . . 0.0 111.675 -176.42 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 28.9 m-20 -89.69 -34.82 16.11 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.79 -178.038 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 13.0 ptp180 -167.54 171.42 10.36 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 121.121 0.486 . . . . 0.0 111.551 -169.083 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 88.2 m-85 -98.34 153.09 18.79 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.714 -0.676 . . . . 0.0 109.235 173.078 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.444 ' HA ' ' HA ' ' A' ' 45' ' ' THR . 22.1 t -152.96 163.01 40.62 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.083 0.468 . . . . 0.0 110.523 178.667 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 35.1 t -138.97 91.19 2.5 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.017 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -65.72 75.64 0.11 Allowed Glycine 0 N--CA 1.451 -0.318 0 O-C-N 123.628 0.58 . . . . 0.0 111.944 175.761 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 11.8 tpt180 -171.45 -54.43 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.338 -0.615 . . . . 0.0 109.338 -179.034 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 25.4 p -114.59 -7.51 12.77 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.743 176.539 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 83.75 21.24 58.21 Favored Glycine 0 C--N 1.336 0.577 0 C-N-CA 121.036 -0.602 . . . . 0.0 113.034 178.074 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 62.5 t80 -71.89 102.92 3.02 Favored 'General case' 0 C--O 1.235 0.305 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 175.131 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.444 ' HA ' ' HA ' ' A' ' 38' ' ' SER . 53.7 m -128.93 114.05 15.97 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.818 -177.598 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -134.54 138.59 44.76 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.054 -0.521 . . . . 0.0 109.772 -174.395 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -63.38 157.49 22.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.536 -175.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 38.1 mmtt -52.99 95.59 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.293 0 CA-C-O 121.282 0.563 . . . . 0.0 110.177 172.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -130.04 32.08 4.58 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.193 -0.912 . . . . 0.0 109.121 -176.671 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -72.52 136.99 46.01 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-N 115.154 -0.93 . . . . 0.0 110.891 -176.583 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 30.5 mmmt -98.68 152.81 19.24 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.19 177.121 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.635 ' HD3' ' N ' ' A' ' 53' ' ' SER . 12.7 tmtt? -79.37 154.43 29.02 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.458 -0.941 . . . . 0.0 108.458 177.325 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.635 ' N ' ' HD3' ' A' ' 52' ' ' LYS . 20.0 p -57.14 127.4 31.74 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 120.859 0.361 . . . . 0.0 110.907 -179.093 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 21.5 ptmt -78.54 160.35 27.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.506 178.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 47.3 p . . . . . 0 C--O 1.25 1.109 0 CA-C-O 118.723 -0.656 . . . . 0.0 109.439 176.535 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.614 ' SD ' ' N ' ' A' ' 1' ' ' MET . 0.8 OUTLIER . . . . . 0 N--CA 1.48 1.069 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 29.5 pt20 -82.14 134.87 35.35 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.345 -176.296 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -141.94 118.41 10.91 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.815 177.428 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 52.9 ttt85 -82.07 -8.75 59.68 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-O 120.97 0.414 . . . . 0.0 110.641 -179.262 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -121.22 78.18 1.39 Allowed 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 176.589 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 95.0 mt -82.15 108.5 15.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.603 179.051 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 80.8 m-85 62.06 -172.0 0.15 Allowed 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 121.408 0.623 . . . . 0.0 111.598 175.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -113.47 107.84 16.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.921 178.03 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 12.6 pt -69.67 133.78 31.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.579 178.418 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.08 118.96 14.53 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.131 -177.69 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -147.18 150.7 35.45 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.074 -0.512 . . . . 0.0 109.951 177.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 117.25 52.17 0.34 Allowed Glycine 0 C--N 1.328 0.128 0 N-CA-C 111.603 -0.599 . . . . 0.0 111.603 -178.004 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 22.7 pttp -78.24 152.65 32.46 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-O 121.082 0.468 . . . . 0.0 111.232 -178.024 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 95.2 mt -123.2 173.58 7.81 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.651 177.136 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 26.6 m -77.89 3.24 1.62 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.36 0 N-CA-C 111.788 0.292 . . . . 0.0 111.788 -176.451 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 59.1 ttt180 -70.28 118.09 12.66 Favored 'General case' 0 C--O 1.234 0.263 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 176.561 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 85.1 tttt -51.31 103.87 0.07 Allowed 'General case' 0 C--O 1.237 0.396 0 CA-C-O 121.463 0.649 . . . . 0.0 112.254 -172.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 69.8 m80 -119.59 166.15 13.53 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 114.953 -1.021 . . . . 0.0 108.34 170.737 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 35.2 mtp180 -117.0 154.06 31.58 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.885 0.374 . . . . 0.0 110.223 177.632 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 85.5 m-85 -115.06 143.86 44.54 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 175.172 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 43.3 t -69.64 122.8 86.98 Favored Pre-proline 0 C--N 1.324 -0.518 0 N-CA-C 109.708 -0.478 . . . . 0.0 109.708 -179.338 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -33.95 -46.9 0.47 Allowed 'Trans proline' 0 C--N 1.352 0.747 0 C-N-CA 124.004 3.136 . . . . 0.0 114.136 -171.528 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 23.7 mmm-85 -97.45 -48.91 5.1 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.905 -173.415 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 2.4 m -81.09 -0.4 39.83 Favored 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 111.536 0.198 . . . . 0.0 111.536 -176.078 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -37.05 -61.81 0.91 Allowed Glycine 0 C--N 1.339 0.717 0 O-C-N 123.549 0.531 . . . . 0.0 113.993 -174.091 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 22.9 Cg_exo -64.61 81.83 0.17 Allowed 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.503 2.135 . . . . 0.0 112.01 176.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 128.72 -25.76 4.66 Favored Glycine 0 C--N 1.33 0.203 0 CA-C-N 116.038 -0.528 . . . . 0.0 112.585 176.067 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 31.9 t -133.5 98.5 2.71 Favored 'Isoleucine or valine' 0 C--O 1.239 0.508 0 CA-C-O 120.959 0.409 . . . . 0.0 110.141 178.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 50.2 p90 -68.9 173.78 5.04 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.432 177.029 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.776 ' HG ' ' HB3' ' A' ' 37' ' ' TYR . 20.5 tp -94.84 101.42 13.23 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 178.245 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -54.81 111.42 0.82 Allowed 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.398 -174.704 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 51.4 tt0 -84.45 124.68 31.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.051 -177.393 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 74.6 m-70 -128.17 155.77 43.96 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 108.691 -0.855 . . . . 0.0 108.691 172.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.83 -27.57 66.74 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 120.885 0.374 . . . . 0.0 111.193 -177.269 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -80.43 -39.42 28.27 Favored 'General case' 0 C--O 1.238 0.499 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.752 178.386 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 34.7 ptt180 -175.92 171.63 2.59 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.119 -170.628 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.776 ' HB3' ' HG ' ' A' ' 30' ' ' LEU . 52.9 m-85 -98.23 149.51 22.49 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.261 -1.015 . . . . 0.0 108.261 169.577 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 7.9 t -151.94 163.04 40.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.839 0.352 . . . . 0.0 110.558 177.479 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 23.4 t -130.05 118.81 22.12 Favored 'General case' 0 CA--C 1.511 -0.546 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.499 -175.638 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.557 ' O ' ' HB2' ' A' ' 41' ' ' ARG . . . -60.44 157.12 29.52 Favored Glycine 0 N--CA 1.444 -0.832 0 C-N-CA 120.282 -0.961 . . . . 0.0 110.919 169.026 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.557 ' HB2' ' O ' ' A' ' 40' ' ' GLY . 9.8 mpt_? 84.27 -51.83 0.12 Allowed 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 123.862 0.865 . . . . 0.0 111.966 177.149 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 1.8 p -116.98 -7.08 11.4 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-N 119.311 0.96 . . . . 0.0 112.02 -178.177 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 69.78 19.9 75.46 Favored Glycine 0 C--N 1.332 0.334 0 C-N-CA 120.923 -0.656 . . . . 0.0 113.419 174.596 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 84.6 t80 -62.59 117.31 6.06 Favored 'General case' 0 C--O 1.232 0.174 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 175.607 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 70.8 m -121.14 144.85 48.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 123.407 0.442 . . . . 0.0 110.852 -177.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -145.39 114.13 6.83 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 179.328 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -66.96 149.5 50.54 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 112.616 0.598 . . . . 0.0 112.616 -171.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 31.6 mmtt -70.02 78.19 0.49 Allowed 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.037 179.595 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.503 ' HZ2' ' HB2' ' A' ' 49' ' ' LYS . 2.8 ttmp? -108.64 136.47 48.18 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 175.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -57.49 130.52 46.68 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 112.332 0.493 . . . . 0.0 112.332 -172.657 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.482 ' HA ' ' HE3' ' A' ' 51' ' ' LYS . 0.2 OUTLIER -85.68 105.72 16.44 Favored 'General case' 0 C--O 1.236 0.349 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 172.813 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 66.5 mttm 68.04 107.64 0.05 OUTLIER 'General case' 0 N--CA 1.465 0.279 0 O-C-N 123.817 0.698 . . . . 0.0 110.203 -176.011 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 17.9 p -127.91 179.88 5.32 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.029 -176.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -61.54 168.24 2.97 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.413 179.566 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 28.5 t . . . . . 0 C--O 1.25 1.083 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.05 -179.115 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.5 mtt . . . . . 0 N--CA 1.48 1.065 0 N-CA-C 110.048 -0.353 . . . . 0.0 110.048 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 69.81 109.83 0.05 Allowed 'General case' 0 CA--C 1.534 0.332 0 O-C-N 123.603 0.564 . . . . 0.0 110.565 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.17 -30.84 50.9 Favored 'General case' 0 N--CA 1.467 0.423 0 N-CA-C 112.395 0.517 . . . . 0.0 112.395 -175.458 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.431 ' O ' ' HG3' ' A' ' 4' ' ' ARG . 16.9 ptt180 -87.54 106.23 17.85 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 121.607 0.717 . . . . 0.0 110.331 179.122 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -144.28 88.75 1.96 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.265 -0.88 . . . . 0.0 109.57 178.491 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 86.4 mt -114.43 91.59 3.67 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.196 -0.911 . . . . 0.0 110.055 -178.392 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 16.6 p90 -105.6 105.99 16.29 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.277 0.561 . . . . 0.0 109.897 178.275 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -153.52 122.11 6.32 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.444 -0.798 . . . . 0.0 109.886 179.141 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 23.4 pt -86.34 126.15 40.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 120.955 0.407 . . . . 0.0 110.891 -177.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -140.39 106.54 5.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.172 -179.229 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 11.5 p-10 -145.21 164.77 30.33 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.028 -178.228 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -87.18 109.05 3.41 Favored Glycine 0 C--N 1.33 0.207 0 C-N-CA 121.196 -0.526 . . . . 0.0 112.148 -179.214 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.534 ' HG2' HD13 ' A' ' 14' ' ' LEU . 87.0 tttt -147.57 130.92 16.59 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.711 -0.477 . . . . 0.0 109.711 -179.12 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.534 HD13 ' HG2' ' A' ' 13' ' ' LYS . 10.8 mp 58.31 36.81 25.85 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-O 121.225 0.536 . . . . 0.0 110.118 -174.28 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 98.6 t -102.94 -56.21 5.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.034 -177.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.48 -68.25 0.11 Allowed 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 121.202 -0.199 . . . . 0.0 111.042 -175.561 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 36.8 mtmm -69.86 78.51 0.46 Allowed 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.918 -170.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER 164.2 114.15 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 124.316 1.046 . . . . 0.0 109.194 175.409 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 52.6 mtp180 -75.54 141.38 42.99 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 175.651 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 77.3 m-85 -117.78 166.39 12.5 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 179.253 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.429 ' HB2' HD12 ' A' ' 30' ' ' LEU . 34.3 t -82.29 119.94 75.96 Favored Pre-proline 0 C--N 1.328 -0.328 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 -179.665 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_exo -41.95 -58.11 1.29 Allowed 'Trans proline' 0 C--N 1.349 0.575 0 C-N-CA 123.008 2.472 . . . . 0.0 113.469 -169.694 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 60.5 mtm180 -82.58 -35.59 26.99 Favored 'General case' 0 CA--C 1.533 0.327 0 N-CA-C 112.53 0.567 . . . . 0.0 112.53 -173.381 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 9.3 m -86.39 -5.12 59.24 Favored 'General case' 0 N--CA 1.473 0.722 0 O-C-N 122.224 -0.297 . . . . 0.0 111.009 -179.241 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 21' ' ' CYS . . . -43.98 -63.83 2.15 Favored Glycine 0 C--N 1.335 0.51 0 O-C-N 123.569 0.543 . . . . 0.0 114.122 -170.434 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_endo -61.68 81.81 0.09 OUTLIER 'Trans proline' 0 CA--C 1.531 0.375 0 C-N-CA 122.435 2.09 . . . . 0.0 112.148 179.487 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 126.94 -25.11 5.32 Favored Glycine 0 CA--C 1.518 0.249 0 CA-C-N 115.93 -0.577 . . . . 0.0 112.61 177.385 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 22.0 t -126.68 100.13 6.26 Favored 'Isoleucine or valine' 0 C--O 1.237 0.416 0 CA-C-O 120.871 0.367 . . . . 0.0 110.687 -179.07 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 49.0 p90 -64.82 159.17 23.12 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.881 175.054 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.558 ' HG ' ' HB3' ' A' ' 37' ' ' TYR . 23.2 tp -91.75 117.89 30.18 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 179.502 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.38 101.82 0.12 Allowed 'General case' 0 C--O 1.235 0.291 0 CA-C-O 120.982 0.42 . . . . 0.0 110.988 -176.297 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -85.1 115.97 23.2 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.188 -177.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 18.2 m-70 -113.05 155.5 24.76 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 108.467 -0.938 . . . . 0.0 108.467 172.402 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.56 -28.65 63.74 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-O 120.819 0.342 . . . . 0.0 111.414 -177.297 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -89.03 -33.15 17.26 Favored 'General case' 0 C--O 1.237 0.436 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.347 -178.016 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.448 ' HB2' ' O ' ' A' ' 46' ' ' GLU . 5.9 ptp180 -172.17 168.24 5.77 Favored 'General case' 0 N--CA 1.462 0.136 0 CA-C-O 121.073 0.463 . . . . 0.0 111.706 -168.473 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.558 ' HB3' ' HG ' ' A' ' 30' ' ' LEU . 95.4 m-85 -97.96 153.13 18.57 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.238 170.853 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 10.3 t -146.39 159.24 43.64 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.724 -0.472 . . . . 0.0 109.724 175.754 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.586 ' SG ' ' HB3' ' A' ' 41' ' ' ARG . 38.8 t -133.92 91.32 2.81 Favored 'General case' 0 C--O 1.236 0.377 0 N-CA-C 111.989 0.366 . . . . 0.0 111.989 -178.615 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -67.59 74.83 0.22 Allowed Glycine 0 C--N 1.332 0.342 0 N-CA-C 110.886 -0.886 . . . . 0.0 110.886 171.129 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.586 ' HB3' ' SG ' ' A' ' 39' ' ' CYS . 32.6 tpt180 -173.34 -37.19 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 -175.654 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 16.3 p -146.48 11.7 1.15 Allowed 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.565 174.536 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 75.6 3.5 72.57 Favored Glycine 0 C--N 1.337 0.629 0 CA-C-N 116.413 -0.358 . . . . 0.0 113.84 173.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 60.9 t80 -61.57 109.14 1.1 Allowed 'General case' 0 C--O 1.234 0.257 0 CA-C-N 117.254 0.527 . . . . 0.0 110.186 -178.171 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 32.9 m -126.89 119.17 26.12 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.19 -178.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.448 ' O ' ' HB2' ' A' ' 36' ' ' ARG . 26.5 tt0 -122.15 140.34 52.68 Favored 'General case' 0 C--O 1.224 -0.283 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 -178.743 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 69.1 m-85 -77.26 141.88 39.76 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 110.46 -0.2 . . . . 0.0 110.46 177.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 43.6 mmtt -54.33 102.91 0.07 Allowed 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.602 178.435 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.726 ' HA ' ' HE2' ' A' ' 49' ' ' LYS . 10.8 mmpt? -69.19 90.66 0.49 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.254 0.55 . . . . 0.0 110.089 178.33 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -109.3 28.16 8.8 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 115.293 -0.867 . . . . 0.0 110.397 -178.044 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.521 ' HA ' ' HE3' ' A' ' 51' ' ' LYS . 1.8 tpmt? -54.37 -37.47 65.0 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 115.648 -0.706 . . . . 0.0 109.87 176.562 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt 55.39 86.57 0.06 Allowed 'General case' 0 C--O 1.234 0.262 0 CA-C-N 114.786 -1.097 . . . . 0.0 111.016 178.367 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 37.7 m -142.17 -174.02 3.99 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.365 -0.834 . . . . 0.0 109.345 179.502 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.513 ' N ' ' HD2' ' A' ' 54' ' ' LYS . 11.8 mptt -69.82 117.83 11.91 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 179.269 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 46.8 m . . . . . 0 C--O 1.249 1.026 0 O-C-N 124.169 0.918 . . . . 0.0 110.061 -172.923 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.9 ptt? . . . . . 0 N--CA 1.481 1.094 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 33.8 tt0 -169.85 86.14 0.13 Allowed 'General case' 0 C--O 1.234 0.286 0 CA-C-O 121.048 0.451 . . . . 0.0 110.157 179.374 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.571 ' HD3' ' H ' ' A' ' 3' ' ' LYS . 0.1 OUTLIER -85.34 134.89 34.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.553 -178.787 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 48.6 mtm180 -119.25 109.11 15.45 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 110.09 -0.337 . . . . 0.0 110.09 177.227 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -75.54 -50.97 14.02 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.187 -0.46 . . . . 0.0 109.844 179.225 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 91.8 mt 55.65 -166.82 0.1 Allowed 'General case' 0 C--O 1.236 0.358 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.291 177.677 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 16.3 p90 -144.18 93.61 2.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.306 0.574 . . . . 0.0 110.724 -176.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 6.5 mp0 -96.86 147.55 23.83 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.775 -0.648 . . . . 0.0 109.606 175.184 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 49.0 mm 66.51 100.69 0.04 OUTLIER 'Isoleucine or valine' 0 C--O 1.236 0.343 0 CA-C-O 121.248 0.547 . . . . 0.0 111.169 179.192 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -148.27 21.28 1.08 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.271 178.603 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -81.01 -52.68 7.16 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.068 -178.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -71.42 79.39 0.55 Allowed Glycine 0 N--CA 1.453 -0.215 0 CA-C-N 115.867 -0.606 . . . . 0.0 112.329 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 55.5 mtpt -96.66 151.29 19.76 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 122.526 0.33 . . . . 0.0 110.225 -178.679 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.413 ' N ' HD13 ' A' ' 14' ' ' LEU . 6.6 mp -82.6 93.14 7.26 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-O 120.891 0.377 . . . . 0.0 110.094 -178.899 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 7.3 p -117.42 131.31 70.53 Favored 'Isoleucine or valine' 0 C--O 1.235 0.302 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.097 -178.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.467 ' O ' ' HD3' ' A' ' 16' ' ' ARG . 1.3 tmt_? 74.82 -17.0 0.51 Allowed 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 123.437 0.695 . . . . 0.0 111.827 173.537 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 59.2 mttm -68.19 94.97 0.55 Allowed 'General case' 0 C--O 1.235 0.311 0 CA-C-O 120.737 0.304 . . . . 0.0 110.996 -178.572 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 26.3 p80 -160.99 99.22 1.21 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.301 0.572 . . . . 0.0 110.888 174.302 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 52.9 mtp180 -134.74 108.97 8.28 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 173.574 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.43 ' HB3' ' HA2' ' A' ' 25' ' ' GLY . 46.9 m-85 -72.88 167.58 20.69 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.122 0.487 . . . . 0.0 110.644 -179.362 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 45.3 t -67.52 128.37 93.57 Favored Pre-proline 0 C--N 1.324 -0.5 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.204 -178.765 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 65.4 Cg_exo -38.63 -49.68 2.51 Favored 'Trans proline' 0 C--N 1.352 0.74 0 C-N-CA 123.252 2.635 . . . . 0.0 113.696 -173.109 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 72.8 mtp180 -92.71 -52.0 4.83 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.711 -174.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.42 ' CB ' ' HB ' ' A' ' 28' ' ' VAL . 3.5 m -75.76 -0.79 22.18 Favored 'General case' 0 N--CA 1.474 0.732 0 N-CA-C 111.638 0.236 . . . . 0.0 111.638 -176.731 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.43 ' HA2' ' HB3' ' A' ' 20' ' ' PHE . . . -38.41 -64.73 0.81 Allowed Glycine 0 C--N 1.339 0.732 0 O-C-N 123.536 0.523 . . . . 0.0 114.306 -172.563 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 22.5 Cg_exo -64.23 85.14 0.15 Allowed 'Trans proline' 0 CA--C 1.534 0.493 0 C-N-CA 122.256 1.971 . . . . 0.0 111.977 178.13 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 124.48 -25.06 6.04 Favored Glycine 0 CA--C 1.517 0.165 0 C-N-CA 121.199 -0.524 . . . . 0.0 113.296 174.404 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.42 ' HB ' ' CB ' ' A' ' 24' ' ' CYS . 27.4 t -126.94 112.11 27.93 Favored 'Isoleucine or valine' 0 C--O 1.237 0.416 0 CA-C-N 117.088 0.444 . . . . 0.0 110.168 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 35.8 p90 -67.23 174.01 3.5 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.438 -179.019 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.437 ' HG ' ' HB3' ' A' ' 37' ' ' TYR . 32.7 tp -113.3 111.57 22.25 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 173.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.84 95.83 0.12 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.296 -175.113 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -80.35 117.29 20.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.619 178.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 93.3 m-70 -120.06 156.84 30.14 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 173.055 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.3 -25.02 63.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.108 0.48 . . . . 0.0 110.477 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -76.75 -45.22 29.98 Favored 'General case' 0 C--O 1.237 0.437 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.607 176.326 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.425 ' HB2' ' O ' ' A' ' 46' ' ' GLU . 16.8 ptt180 179.38 172.96 0.87 Allowed 'General case' 0 CA--C 1.529 0.165 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.229 -170.658 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.437 ' HB3' ' HG ' ' A' ' 30' ' ' LEU . 13.9 m-85 -98.31 140.62 32.32 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 108.971 -0.752 . . . . 0.0 108.971 175.295 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 8.2 t -135.97 159.73 40.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.734 0.302 . . . . 0.0 110.475 179.699 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.611 ' SG ' ' O ' ' A' ' 40' ' ' GLY . 41.9 t -143.54 121.04 11.72 Favored 'General case' 0 CA--C 1.512 -0.516 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.798 -179.596 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.611 ' O ' ' SG ' ' A' ' 39' ' ' CYS . . . -65.95 179.3 11.03 Favored Glycine 0 N--CA 1.446 -0.652 0 N-CA-C 110.076 -1.21 . . . . 0.0 110.076 163.728 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.464 ' HB2' ' O ' ' A' ' 40' ' ' GLY . 9.2 mpt_? 74.28 -46.76 0.62 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 117.182 0.491 . . . . 0.0 111.79 178.398 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.407 ' SG ' ' HB2' ' A' ' 44' ' ' TYR . 8.4 p -129.34 -5.87 4.81 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 119.759 -0.776 . . . . 0.0 112.653 179.785 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 70.76 20.12 77.24 Favored Glycine 0 C--N 1.333 0.39 0 C-N-CA 120.443 -0.884 . . . . 0.0 112.783 174.581 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.407 ' HB2' ' SG ' ' A' ' 42' ' ' CYS . 77.0 t80 -66.99 118.8 10.95 Favored 'General case' 0 C--O 1.234 0.254 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 177.435 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 35.1 m -133.52 118.79 18.73 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.517 -179.429 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.425 ' O ' ' HB2' ' A' ' 36' ' ' ARG . 9.7 tp10 -119.59 140.66 50.22 Favored 'General case' 0 C--O 1.224 -0.285 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 178.181 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -81.84 152.72 26.76 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.767 0.318 . . . . 0.0 111.511 -175.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 47.0 mmtt -65.59 88.12 0.09 Allowed 'General case' 0 C--O 1.235 0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.174 175.316 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 18.0 ptpt -120.89 146.27 46.78 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.785 178.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -105.09 8.1 34.11 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.117 -176.323 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 3.4 tppp? 65.92 17.78 10.91 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-O 121.634 0.731 . . . . 0.0 109.776 -178.534 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 60.0 pttt -73.17 144.77 46.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.513 -177.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 16.5 m -125.21 130.03 51.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.422 -0.353 . . . . 0.0 110.53 -178.464 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -89.48 117.5 28.44 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.393 178.653 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 21.7 p . . . . . 0 C--O 1.252 1.193 0 CA-C-O 118.934 -0.555 . . . . 0.0 109.993 177.782 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.2 tpt . . . . . 0 N--CA 1.481 1.091 0 N-CA-C 110.166 -0.309 . . . . 0.0 110.166 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 24.6 tt0 -76.51 58.7 1.38 Allowed 'General case' 0 CA--C 1.537 0.46 0 CA-C-O 121.254 0.55 . . . . 0.0 110.543 178.606 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -151.17 155.53 39.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.742 -179.281 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 15.5 ptm180 -62.76 83.82 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.186 0.517 . . . . 0.0 110.643 176.007 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -83.85 -58.02 2.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.427 179.582 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.0 pp -164.8 161.44 20.44 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.485 -179.049 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 93.7 m-85 -120.78 100.02 6.86 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.7 -0.482 . . . . 0.0 109.7 178.499 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -108.09 127.8 54.12 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.173 -175.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 25.3 pt -134.16 126.43 49.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 174.036 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -86.51 111.58 20.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.788 -178.262 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 28.9 m-20 -94.21 -178.91 4.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.23 178.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 94.64 -34.86 4.5 Favored Glycine 0 C--N 1.329 0.189 0 C-N-CA 121.247 -0.501 . . . . 0.0 112.19 178.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 62.0 tttp 67.52 108.31 0.04 OUTLIER 'General case' 0 C--O 1.235 0.32 0 C-N-CA 123.129 0.571 . . . . 0.0 111.058 178.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.403 ' O ' HD11 ' A' ' 14' ' ' LEU . 0.7 OUTLIER -82.13 90.79 6.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.778 0.799 . . . . 0.0 111.009 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 26.9 m -84.38 114.89 25.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.751 -0.659 . . . . 0.0 109.92 177.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.413 HH11 ' HD3' ' A' ' 16' ' ' ARG . 43.7 mmt-85 -125.44 164.72 19.84 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.395 -177.858 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -68.79 -61.27 1.88 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.198 179.021 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 33.2 m80 59.71 168.47 0.07 Allowed 'General case' 0 C--O 1.233 0.223 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.432 -173.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 84.0 mtt-85 -138.28 149.75 45.99 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.258 0.551 . . . . 0.0 111.183 -179.612 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 93.8 m-85 -98.08 138.49 35.31 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 107.855 -1.165 . . . . 0.0 107.855 168.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 42.1 t -61.13 127.98 88.75 Favored Pre-proline 0 C--N 1.324 -0.532 0 C-N-CA 121.195 -0.202 . . . . 0.0 110.658 -174.426 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -37.9 -47.66 2.11 Favored 'Trans proline' 0 C--N 1.354 0.821 0 C-N-CA 123.569 2.846 . . . . 0.0 113.521 -173.672 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 20.9 mmt180 -97.34 -51.43 4.17 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.562 -175.652 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.459 ' HB3' ' HB ' ' A' ' 28' ' ' VAL . 5.3 m -73.15 -1.68 18.53 Favored 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 111.848 0.314 . . . . 0.0 111.848 -176.595 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -33.78 -66.4 0.27 Allowed Glycine 0 C--N 1.34 0.783 0 O-C-N 123.763 0.665 . . . . 0.0 114.678 -171.252 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_exo -56.57 93.14 0.05 OUTLIER 'Trans proline' 0 C--O 1.235 0.372 0 C-N-CA 122.452 2.101 . . . . 0.0 112.214 179.603 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 106.51 -24.35 26.04 Favored Glycine 0 CA--C 1.519 0.316 0 CA-C-N 116.055 -0.52 . . . . 0.0 113.003 178.331 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.459 ' HB ' ' HB3' ' A' ' 24' ' ' CYS . 54.9 t -130.71 102.46 6.65 Favored 'Isoleucine or valine' 0 C--O 1.237 0.447 0 CA-C-O 121.136 0.493 . . . . 0.0 110.821 -178.818 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 41.9 p90 -71.03 -165.79 0.13 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.844 177.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 42.7 tp -118.77 109.75 16.43 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 175.713 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.2 102.98 0.19 Allowed 'General case' 0 C--O 1.236 0.344 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.882 -175.751 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -88.04 111.36 21.44 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.49 179.613 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 80.8 m-70 -106.39 153.13 22.69 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 173.697 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.38 -24.44 44.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.185 0.516 . . . . 0.0 110.655 179.672 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -82.31 -41.42 20.11 Favored 'General case' 0 C--O 1.237 0.441 0 CA-C-N 115.472 -0.785 . . . . 0.0 111.097 179.652 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 26.3 ptt-85 -179.59 177.94 0.69 Allowed 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.252 -174.075 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 57.4 m-85 -96.79 150.87 20.22 Favored 'General case' 0 C--O 1.235 0.31 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 176.363 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 47.1 t -148.75 151.28 34.56 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 110.088 -0.338 . . . . 0.0 110.088 -179.222 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.466 ' SG ' ' HB3' ' A' ' 41' ' ' ARG . 26.1 t -141.32 94.61 2.71 Favored 'General case' 0 C--O 1.237 0.428 0 N-CA-C 111.997 0.369 . . . . 0.0 111.997 177.633 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -68.49 74.42 0.3 Allowed Glycine 0 N--CA 1.45 -0.4 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 172.003 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.466 ' HB3' ' SG ' ' A' ' 39' ' ' CYS . 24.7 tpt180 -173.34 -30.1 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 -176.063 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 22.1 p -150.12 3.82 0.53 Allowed 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.461 174.48 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 77.6 17.39 79.02 Favored Glycine 0 C--N 1.339 0.715 0 C-N-CA 121.23 -0.509 . . . . 0.0 113.533 175.057 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 44.8 t80 -63.62 118.94 8.94 Favored 'General case' 0 C--O 1.236 0.388 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 178.007 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 16.8 m -132.85 131.24 40.76 Favored 'General case' 0 C--N 1.328 -0.359 0 O-C-N 123.685 0.616 . . . . 0.0 109.725 -179.24 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -142.58 122.03 13.21 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 110.035 -0.357 . . . . 0.0 110.035 -178.483 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 71.9 m-85 -69.2 145.85 52.87 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.73 0.3 . . . . 0.0 111.413 -177.194 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 54.5 mmtt -75.5 73.54 2.53 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.152 176.134 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 59.5 tttm -90.04 162.76 15.2 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.355 178.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -69.5 75.29 0.4 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.166 0.507 . . . . 0.0 110.879 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.509 ' HA ' ' HE3' ' A' ' 51' ' ' LYS . 1.9 tpmt? -73.56 -37.61 65.49 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.923 -0.58 . . . . 0.0 109.9 178.755 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 40.3 tptt -127.33 90.2 3.09 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 177.021 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 14.1 m -78.93 -71.75 0.42 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.02 -0.537 . . . . 0.0 111.711 -169.537 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.789 ' HZ3' ' HB3' ' A' ' 54' ' ' LYS . 5.3 ttpm? -102.67 38.29 1.75 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.229 0.538 . . . . 0.0 109.706 -174.427 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 32.7 m . . . . . 0 C--O 1.251 1.157 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.846 -174.695 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.1 tmt? . . . . . 0 N--CA 1.482 1.136 0 N-CA-C 110.16 -0.311 . . . . 0.0 110.16 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 58.2 tt0 -78.21 118.44 20.44 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-O 120.811 0.339 . . . . 0.0 110.507 177.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -94.1 -50.96 5.05 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.192 177.424 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 14.6 ptp180 -95.39 138.16 33.46 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.169 -176.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -140.37 -42.31 0.41 Allowed 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 174.063 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 7.7 mp 57.2 96.4 0.02 OUTLIER 'General case' 0 C--O 1.236 0.354 0 CA-C-N 115.574 -0.739 . . . . 0.0 112.459 174.624 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 78.5 m-85 -75.57 102.86 5.44 Favored 'General case' 0 C--O 1.236 0.375 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 169.662 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -82.02 115.64 21.26 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.154 -175.144 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 35.4 pt -73.76 158.51 5.98 Favored 'Isoleucine or valine' 0 C--O 1.236 0.386 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.087 -177.599 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -161.27 96.12 1.06 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.093 -179.608 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -146.86 155.36 42.26 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.941 0.401 . . . . 0.0 110.465 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -160.68 40.58 0.43 Allowed Glycine 0 N--CA 1.45 -0.389 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 177.066 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 22.9 pttp -157.93 168.43 27.16 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.484 -0.358 . . . . 0.0 110.038 -178.262 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.585 HD12 ' HG3' ' A' ' 16' ' ' ARG . 1.1 pp -62.02 149.22 41.54 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.692 177.422 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 34.4 m -99.24 -26.42 3.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.876 -179.386 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.585 ' HG3' HD12 ' A' ' 14' ' ' LEU . 70.7 mtt180 64.94 162.16 0.13 Allowed 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 121.454 0.645 . . . . 0.0 111.517 -178.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 27.0 mtpp -91.61 97.53 11.09 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 175.18 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 15.8 p80 -74.25 85.53 1.92 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.228 -0.896 . . . . 0.0 111.821 -172.688 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 25.3 mtm180 -78.16 102.14 7.4 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 173.565 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.426 ' HB3' ' HA2' ' A' ' 25' ' ' GLY . 49.0 m-85 -85.69 156.64 20.57 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 110.07 -0.345 . . . . 0.0 110.07 177.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.472 ' O ' ' N ' ' A' ' 25' ' ' GLY . 51.7 t -62.55 114.52 12.29 Favored Pre-proline 0 C--O 1.224 -0.276 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 -179.447 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_exo -37.72 -54.92 1.18 Allowed 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 123.319 2.679 . . . . 0.0 113.825 -164.738 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 61.4 mtm180 -82.8 -33.37 27.29 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 112.523 0.564 . . . . 0.0 112.523 -173.352 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.435 ' HB3' ' HB ' ' A' ' 28' ' ' VAL . 9.8 m -90.03 -6.82 55.16 Favored 'General case' 0 N--CA 1.473 0.718 0 O-C-N 122.064 -0.397 . . . . 0.0 111.004 178.838 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 21' ' ' CYS . . . -42.0 -65.32 1.27 Allowed Glycine 0 C--N 1.335 0.474 0 O-C-N 123.787 0.679 . . . . 0.0 114.604 -166.327 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_endo -64.74 79.7 0.18 Allowed 'Trans proline' 0 C--O 1.235 0.368 0 C-N-CA 122.338 2.026 . . . . 0.0 112.052 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 131.23 -19.41 4.87 Favored Glycine 0 C--N 1.33 0.223 0 C-N-CA 121.109 -0.567 . . . . 0.0 113.156 178.474 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.435 ' HB ' ' HB3' ' A' ' 24' ' ' CYS . 40.5 t -133.45 105.44 7.79 Favored 'Isoleucine or valine' 0 C--O 1.237 0.425 0 CA-C-N 117.136 0.468 . . . . 0.0 110.446 178.663 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.409 ' HA ' ' CD1' ' A' ' 20' ' ' PHE . 18.8 p90 -62.75 160.63 13.95 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.372 178.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 47.4 tp -104.56 102.82 12.43 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.517 -0.92 . . . . 0.0 108.517 174.064 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.428 ' HB3' ' OG ' ' A' ' 38' ' ' SER . . . -60.9 98.31 0.07 Allowed 'General case' 0 C--O 1.237 0.41 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.027 -175.608 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -77.96 116.48 18.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.726 179.1 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 74.1 m-70 -110.51 154.32 23.84 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 108.427 -0.953 . . . . 0.0 108.427 172.435 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.426 ' O ' ' HG3' ' A' ' 48' ' ' LYS . . . -58.14 -26.27 62.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.081 0.467 . . . . 0.0 110.897 -177.854 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -84.88 -39.23 18.49 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.974 179.738 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.425 ' HB3' ' HA ' ' A' ' 47' ' ' PHE . 36.5 ptt180 -174.03 168.96 4.1 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 121.062 0.458 . . . . 0.0 111.407 -173.16 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 -97.74 144.43 27.37 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 108.739 -0.837 . . . . 0.0 108.739 177.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.428 ' OG ' ' HB3' ' A' ' 31' ' ' ALA . 61.1 p -135.94 147.55 48.14 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.913 0.387 . . . . 0.0 111.279 -175.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 18.4 t -133.81 86.13 2.26 Favored 'General case' 0 C--O 1.239 0.517 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.684 175.604 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -65.02 77.2 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.386 0 N-CA-C 111.462 -0.655 . . . . 0.0 111.462 174.59 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 3.8 tpt180 -168.98 -60.83 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 -177.477 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 20.5 p -108.02 -12.05 15.21 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.105 174.638 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 85.76 26.27 35.6 Favored Glycine 0 C--N 1.334 0.438 0 C-N-CA 120.93 -0.652 . . . . 0.0 112.387 179.484 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 78.6 t80 -76.5 112.04 12.61 Favored 'General case' 0 C--O 1.236 0.385 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 175.736 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 30.0 m -130.29 125.54 35.01 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.871 -178.344 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -128.42 119.18 24.46 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.327 -175.132 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.425 ' HA ' ' HB3' ' A' ' 36' ' ' ARG . 75.9 m-85 -64.73 146.98 54.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.811 0.339 . . . . 0.0 110.82 178.287 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.426 ' HG3' ' O ' ' A' ' 34' ' ' ALA . 48.5 mmtt -58.86 107.53 0.54 Allowed 'General case' 0 C--O 1.234 0.251 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.395 -179.575 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 24.3 pttm -124.9 118.86 27.23 Favored 'General case' 0 C--O 1.235 0.305 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 172.238 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -84.49 101.09 11.79 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.495 -178.062 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 33.1 ttmt -73.69 96.0 2.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.08 0.467 . . . . 0.0 110.872 -179.546 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 56.0 mtpt -84.63 -19.01 33.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.683 -0.69 . . . . 0.0 109.944 177.471 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 19.1 m -69.51 98.08 1.09 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.948 179.425 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 21.8 pttp -103.88 -36.08 7.93 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.957 0.408 . . . . 0.0 110.435 177.693 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 16.0 m . . . . . 0 C--O 1.253 1.287 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.506 -174.998 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.407 ' C ' ' SD ' ' A' ' 1' ' ' MET . 0.8 OUTLIER . . . . . 0 N--CA 1.479 1.0 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -83.25 130.44 35.08 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.47 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -82.72 -177.91 6.9 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.975 0.416 . . . . 0.0 110.676 179.358 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.407 HH11 ' HD3' ' A' ' 4' ' ' ARG . 10.0 ptp180 -78.25 66.04 3.74 Favored 'General case' 0 CA--C 1.536 0.404 0 CA-C-O 121.38 0.61 . . . . 0.0 111.197 -174.836 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -73.8 -86.73 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.882 -178.749 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 97.2 mt -149.64 -176.14 5.29 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.208 -173.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 26.6 p90 -140.62 124.2 16.99 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.378 175.266 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -75.39 142.43 43.09 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 121.043 0.449 . . . . 0.0 111.087 -175.584 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 26.5 pt -127.04 -177.85 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.173 -179.225 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -95.79 95.99 8.66 Favored 'General case' 0 CA--C 1.533 0.293 0 N-CA-C 111.75 0.278 . . . . 0.0 111.75 -175.472 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -111.22 -63.31 1.42 Allowed 'General case' 0 N--CA 1.467 0.424 0 CA-C-O 121.206 0.527 . . . . 0.0 109.599 173.534 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -93.69 -13.6 54.82 Favored Glycine 0 C--N 1.333 0.408 0 CA-C-N 115.549 -0.751 . . . . 0.0 112.342 -178.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 62.5 tttp -68.98 95.46 0.71 Allowed 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 176.315 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 95.9 mt 62.82 -82.03 0.02 OUTLIER 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.202 -172.531 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 17.0 m -157.47 171.81 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 N-CA-C 108.922 -0.769 . . . . 0.0 108.922 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -72.59 71.79 0.99 Allowed 'General case' 0 C--O 1.235 0.297 0 CA-C-O 121.708 0.766 . . . . 0.0 109.053 170.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 12.6 tmtt? -76.62 85.51 3.29 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 114.846 -1.07 . . . . 0.0 109.88 -174.447 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 46.5 m-70 -150.47 152.12 33.77 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.32 174.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -137.6 170.52 15.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.741 0.305 . . . . 0.0 110.226 179.044 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 85.4 m-85 -96.49 166.17 11.82 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.092 0.473 . . . . 0.0 111.093 -176.585 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.432 ' O ' ' N ' ' A' ' 25' ' ' GLY . 43.8 t -77.85 121.36 84.04 Favored Pre-proline 0 C--O 1.222 -0.384 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 175.146 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_exo -40.51 -50.67 3.7 Favored 'Trans proline' 0 C--N 1.347 0.488 0 C-N-CA 122.916 2.411 . . . . 0.0 113.434 -171.426 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 26.3 mmt180 -79.86 -55.54 4.91 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.169 -175.207 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.442 ' CB ' ' HB ' ' A' ' 28' ' ' VAL . 4.1 m -77.66 -1.67 32.18 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.7 -176.072 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 21' ' ' CYS . . . -41.4 -58.69 2.85 Favored Glycine 0 C--N 1.334 0.472 0 O-C-N 123.583 0.552 . . . . 0.0 114.167 -170.896 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_endo -66.84 80.14 0.36 Allowed 'Trans proline' 0 CA--C 1.532 0.414 0 C-N-CA 122.24 1.96 . . . . 0.0 111.495 176.534 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 131.1 -24.99 4.17 Favored Glycine 0 C--N 1.334 0.47 0 CA-C-N 115.877 -0.602 . . . . 0.0 112.822 177.332 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.442 ' HB ' ' CB ' ' A' ' 24' ' ' CYS . 93.3 t -135.29 121.75 33.27 Favored 'Isoleucine or valine' 0 C--O 1.236 0.358 0 CA-C-O 120.879 0.371 . . . . 0.0 110.665 -178.79 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 50.7 p90 -74.49 -166.92 0.48 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.945 178.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 32.4 tp -133.91 107.86 8.08 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 176.336 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.85 99.74 0.36 Allowed 'General case' 0 C--O 1.234 0.237 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.152 -174.124 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -85.04 91.81 8.19 Favored 'General case' 0 C--O 1.237 0.414 0 CA-C-O 121.263 0.554 . . . . 0.0 110.148 178.761 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 -82.99 159.82 22.14 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.573 -0.739 . . . . 0.0 109.227 176.283 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.63 -18.4 53.13 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-O 120.791 0.329 . . . . 0.0 111.184 -179.204 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -86.65 -41.06 14.52 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.805 177.389 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.543 ' HA ' ' HG2' ' A' ' 48' ' ' LYS . 13.9 ptt180 178.32 -175.32 0.18 Allowed 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.424 -174.21 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.529 ' HB2' ' HB3' ' A' ' 46' ' ' GLU . 66.6 m-85 -95.59 144.89 25.65 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 177.187 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 29.3 t -145.24 146.17 31.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.023 0.44 . . . . 0.0 110.547 178.142 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 34.6 t -130.02 92.18 3.26 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.154 179.118 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -66.24 72.38 0.14 Allowed Glycine 0 CA--C 1.519 0.296 0 O-C-N 123.706 0.629 . . . . 0.0 111.574 174.605 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 7.4 tpt180 -169.55 -41.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 -175.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.474 ' SG ' ' HB2' ' A' ' 44' ' ' TYR . 17.7 p -137.31 2.01 2.47 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.975 177.73 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 77.82 16.01 80.53 Favored Glycine 0 C--N 1.336 0.547 0 C-N-CA 121.006 -0.616 . . . . 0.0 112.711 177.387 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.474 ' HB2' ' SG ' ' A' ' 42' ' ' CYS . 51.1 t80 -65.58 105.27 1.17 Allowed 'General case' 0 C--O 1.236 0.347 0 N-CA-C 109.754 -0.461 . . . . 0.0 109.754 178.688 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 88.4 m -119.78 133.88 55.44 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.006 179.289 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.529 ' HB3' ' HB2' ' A' ' 37' ' ' TYR . 17.1 tp10 -133.3 112.55 11.75 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.924 -0.398 . . . . 0.0 109.924 -178.676 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 49.3 m-85 -54.57 148.66 11.95 Favored 'General case' 0 C--O 1.236 0.374 0 C-N-CA 122.54 0.336 . . . . 0.0 111.873 -177.29 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.543 ' HG2' ' HA ' ' A' ' 36' ' ' ARG . 33.9 mmtt -68.13 78.38 0.24 Allowed 'General case' 0 C--O 1.236 0.363 0 CA-C-O 121.202 0.525 . . . . 0.0 110.703 174.827 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 62.2 tttp -112.8 -14.04 13.13 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.444 -0.798 . . . . 0.0 108.901 171.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.74 90.91 0.06 Allowed 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 114.944 -1.025 . . . . 0.0 110.796 176.636 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.415 ' HE3' ' HB2' ' A' ' 51' ' ' LYS . 35.7 ttmt -119.12 -50.07 2.38 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 176.462 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -151.3 79.5 1.29 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.25 -0.887 . . . . 0.0 109.422 176.456 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 6.1 m -96.03 -54.73 3.21 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.798 178.314 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -151.92 106.66 3.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.97 -179.696 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 38.1 t . . . . . 0 C--O 1.25 1.123 0 CA-C-O 118.359 -0.829 . . . . 0.0 109.612 179.126 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 72.1 mtm . . . . . 0 N--CA 1.481 1.096 0 CA-C-O 120.878 0.371 . . . . 0.0 110.042 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -147.8 164.6 33.12 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.262 179.242 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 24.7 ttmm 68.77 100.64 0.06 Allowed 'General case' 0 C--O 1.235 0.322 0 O-C-N 124.02 0.825 . . . . 0.0 111.372 178.158 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 12.5 ttm180 -74.69 132.09 41.4 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 173.557 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -80.19 63.39 4.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.156 0.503 . . . . 0.0 111.207 -174.137 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 93.5 mt -80.25 -39.59 28.69 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.137 176.003 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 43.0 p90 -164.87 109.01 0.9 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.369 0.604 . . . . 0.0 110.602 176.435 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -78.39 156.44 29.47 Favored 'General case' 0 C--O 1.238 0.485 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.426 176.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 26.7 pt -77.57 159.73 4.89 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-O 120.958 0.409 . . . . 0.0 111.312 -175.52 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.656 ' HA ' ' HG3' ' A' ' 49' ' ' LYS . . . -109.66 -29.9 8.14 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.156 176.041 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 30.2 t70 50.24 -93.12 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.162 -179.686 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 79.06 152.41 6.65 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 121.342 -0.456 . . . . 0.0 113.399 177.486 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.725 ' HG2' ' H ' ' A' ' 14' ' ' LEU . 74.8 tttt 67.56 -173.48 0.19 Allowed 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 123.079 0.552 . . . . 0.0 110.462 176.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.725 ' H ' ' HG2' ' A' ' 13' ' ' LYS . 3.6 mm? 75.25 130.47 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.375 0 C-N-CA 123.574 0.75 . . . . 0.0 110.592 -179.316 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 39.8 t -84.31 -29.3 7.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.876 -174.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 69.5 mtm180 -71.39 83.46 0.79 Allowed 'General case' 0 C--O 1.236 0.359 0 CA-C-O 121.072 0.463 . . . . 0.0 110.3 179.502 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 38.4 ttmt -85.34 63.92 8.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 122.021 0.915 . . . . 0.0 110.051 179.67 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 8.6 p80 -169.82 89.84 0.18 Allowed 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 107.337 -1.357 . . . . 0.0 107.337 173.623 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 28.1 mmt85 -89.61 163.71 15.05 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.287 -0.87 . . . . 0.0 111.65 -168.098 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 -107.22 146.76 31.02 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.207 -0.906 . . . . 0.0 108.982 174.626 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.465 ' O ' ' N ' ' A' ' 25' ' ' GLY . 45.0 t -72.82 125.5 91.13 Favored Pre-proline 0 C--N 1.322 -0.613 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 179.627 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 79.9 Cg_exo -35.53 -62.06 0.24 Allowed 'Trans proline' 0 C--N 1.349 0.592 0 C-N-CA 123.287 2.658 . . . . 0.0 113.75 -167.179 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 51.7 mtm180 -89.46 -27.85 20.08 Favored 'General case' 0 CA--C 1.536 0.421 0 N-CA-C 112.593 0.59 . . . . 0.0 112.593 -171.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.525 ' HB3' ' HB ' ' A' ' 28' ' ' VAL . 10.1 m -87.47 -8.72 56.11 Favored 'General case' 0 N--CA 1.473 0.719 0 O-C-N 122.097 -0.377 . . . . 0.0 110.543 178.412 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' A' ' 21' ' ' CYS . . . -41.12 -63.45 1.53 Allowed Glycine 0 C--N 1.336 0.555 0 O-C-N 123.958 0.786 . . . . 0.0 114.169 -167.766 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -58.62 90.15 0.06 OUTLIER 'Trans proline' 0 CA--C 1.531 0.337 0 C-N-CA 122.188 1.925 . . . . 0.0 111.486 177.005 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 114.21 -24.75 11.22 Favored Glycine 0 N--CA 1.452 -0.292 0 CA-C-N 115.829 -0.623 . . . . 0.0 112.873 177.33 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.525 ' HB ' ' HB3' ' A' ' 24' ' ' CYS . 21.2 t -133.39 103.27 5.42 Favored 'Isoleucine or valine' 0 C--O 1.236 0.387 0 CA-C-O 120.845 0.355 . . . . 0.0 110.257 -178.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 35.4 p90 -70.43 -176.21 1.18 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.267 -178.686 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.518 ' HG ' ' HB3' ' A' ' 37' ' ' TYR . 37.6 tp -113.4 105.32 13.24 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 108.928 -0.767 . . . . 0.0 108.928 175.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.78 104.08 0.26 Allowed 'General case' 0 C--O 1.234 0.257 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.408 -174.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.431 ' HG3' ' HE2' ' A' ' 48' ' ' LYS . 37.0 tt0 -79.24 133.24 36.67 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.396 179.645 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 92.9 m-70 -135.01 158.0 45.48 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 175.678 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -53.9 -36.9 63.2 Favored 'General case' 0 C--N 1.329 -0.299 0 O-C-N 123.27 0.356 . . . . 0.0 111.82 -175.744 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -82.07 -37.08 26.92 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.187 -178.587 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.643 ' HB2' ' O ' ' A' ' 46' ' ' GLU . 4.3 ptp180 -175.83 174.22 2.2 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.99 0.424 . . . . 0.0 111.588 -169.102 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.518 ' HB3' ' HG ' ' A' ' 30' ' ' LEU . 40.6 m-85 -98.13 151.49 20.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.089 175.478 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 19.5 t -141.74 155.95 45.61 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.851 0.358 . . . . 0.0 110.616 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.714 ' SG ' ' O ' ' A' ' 40' ' ' GLY . 40.6 t -147.0 123.88 11.3 Favored 'General case' 0 CA--C 1.516 -0.355 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.43 178.706 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.714 ' O ' ' SG ' ' A' ' 39' ' ' CYS . . . -68.59 -170.95 6.41 Favored Glycine 0 N--CA 1.447 -0.604 0 N-CA-C 109.006 -1.638 . . . . 0.0 109.006 161.666 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 7.0 tpt180 75.52 -52.29 0.64 Allowed 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 118.078 0.939 . . . . 0.0 110.682 175.387 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.532 ' SG ' ' HB2' ' A' ' 44' ' ' TYR . 14.6 p -126.5 -14.32 5.83 Favored 'General case' 0 N--CA 1.465 0.315 0 C-N-CA 120.522 -0.471 . . . . 0.0 111.996 178.093 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 84.16 14.15 72.51 Favored Glycine 0 C--N 1.335 0.475 0 C-N-CA 120.603 -0.808 . . . . 0.0 112.539 178.07 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.532 ' HB2' ' SG ' ' A' ' 42' ' ' CYS . 53.7 t80 -61.88 109.94 1.4 Allowed 'General case' 0 C--O 1.234 0.255 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 -179.338 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 29.6 m -122.65 106.96 11.43 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.647 177.571 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.643 ' O ' ' HB2' ' A' ' 36' ' ' ARG . 13.3 tp10 -107.35 163.9 12.65 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 -178.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 72.6 m-85 -100.99 152.19 20.87 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.102 0.477 . . . . 0.0 112.12 -173.662 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.431 ' HE2' ' HG3' ' A' ' 32' ' ' GLU . 14.2 mmtt -80.19 155.65 27.3 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.928 -178.21 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.656 ' HG3' ' HA ' ' A' ' 10' ' ' ALA . 74.1 mmtt -138.19 127.14 24.01 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 115.12 -0.946 . . . . 0.0 109.1 173.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -82.34 44.4 0.87 Allowed 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 121.011 0.434 . . . . 0.0 111.507 -175.661 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 17.1 tppt? -72.63 119.03 16.28 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.66 178.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 26.2 mtpp -91.88 103.95 16.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.798 175.746 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.408 ' HB3' ' HA ' ' A' ' 13' ' ' LYS . 30.9 p -68.48 100.78 1.14 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.319 179.444 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.621 ' HZ2' ' HB2' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -137.81 165.44 26.46 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.492 -178.644 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 20.7 t . . . . . 0 C--O 1.249 1.057 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 178.186 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.6 mtt . . . . . 0 N--CA 1.483 1.218 0 CA-C-O 120.735 0.302 . . . . 0.0 110.569 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 50.2 mt-30 -83.28 131.34 35.09 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-O 120.885 0.374 . . . . 0.0 111.243 -177.496 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -97.74 105.36 17.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.312 172.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 15.5 ttm180 -74.38 88.11 2.06 Favored 'General case' 0 C--O 1.234 0.285 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 178.538 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -78.53 -69.66 0.55 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.028 -0.533 . . . . 0.0 109.881 178.047 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.549 ' HG ' ' H ' ' A' ' 7' ' ' TYR . 18.6 tp 60.29 179.46 0.1 Allowed 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.711 175.363 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.549 ' H ' ' HG ' ' A' ' 6' ' ' LEU . 43.8 m-85 -106.91 -47.82 3.63 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 177.822 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 64.88 174.74 0.2 Allowed 'General case' 0 C--O 1.236 0.384 0 CA-C-N 115.216 -0.902 . . . . 0.0 110.418 -175.614 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 35.7 pt -113.71 143.62 23.02 Favored 'Isoleucine or valine' 0 C--O 1.235 0.328 0 CA-C-O 121.157 0.503 . . . . 0.0 111.522 -177.105 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -130.73 -42.25 1.14 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.319 -0.855 . . . . 0.0 109.365 175.603 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.446 ' CG ' ' HZ1' ' A' ' 13' ' ' LYS . 18.4 t70 -110.05 153.6 24.41 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.019 177.099 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -174.96 115.82 0.56 Allowed Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 121.095 -0.574 . . . . 0.0 112.156 177.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.446 ' HZ1' ' CG ' ' A' ' 11' ' ' ASP . 13.6 mptt -84.7 76.36 10.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.232 0.539 . . . . 0.0 110.201 176.116 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -97.39 122.3 40.27 Favored 'General case' 0 C--O 1.238 0.468 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.613 175.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.719 HG13 ' HG3' ' A' ' 16' ' ' ARG . 52.9 t -63.68 132.33 29.49 Favored 'Isoleucine or valine' 0 C--O 1.236 0.358 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.937 179.809 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.719 ' HG3' HG13 ' A' ' 15' ' ' VAL . 49.2 mtt85 67.57 113.62 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.423 0 O-C-N 123.715 0.634 . . . . 0.0 110.625 -179.602 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 57.5 mmtt -72.18 -67.06 0.57 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.196 -179.201 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 35.4 m-70 54.6 96.34 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.412 0 CA-C-O 121.164 0.507 . . . . 0.0 110.347 -176.507 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.471 ' HA ' ' NE ' ' A' ' 19' ' ' ARG . 5.1 mmp_? -95.11 146.88 23.98 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.906 -175.513 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -105.87 148.05 28.02 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.762 -0.653 . . . . 0.0 109.34 175.006 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.438 ' O ' ' N ' ' A' ' 25' ' ' GLY . 45.3 t -84.42 128.98 59.49 Favored Pre-proline 0 C--N 1.323 -0.565 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.038 -177.597 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_exo -35.8 -58.22 0.47 Allowed 'Trans proline' 0 C--N 1.351 0.685 0 C-N-CA 123.469 2.779 . . . . 0.0 113.759 -172.091 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 10.4 mmm180 -88.73 -35.9 16.45 Favored 'General case' 0 CA--C 1.533 0.315 0 N-CA-C 112.146 0.425 . . . . 0.0 112.146 -173.581 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.557 ' HB3' ' HB ' ' A' ' 28' ' ' VAL . 4.7 m -89.39 -2.51 58.44 Favored 'General case' 0 N--CA 1.473 0.725 0 N-CA-C 111.412 0.153 . . . . 0.0 111.412 -176.174 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 21' ' ' CYS . . . -40.17 -63.73 1.26 Allowed Glycine 0 C--N 1.336 0.545 0 O-C-N 123.688 0.618 . . . . 0.0 113.976 -170.297 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_exo -57.53 93.69 0.06 OUTLIER 'Trans proline' 0 CA--C 1.532 0.412 0 C-N-CA 122.297 1.998 . . . . 0.0 111.941 176.615 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 106.63 -24.46 25.57 Favored Glycine 0 CA--C 1.519 0.337 0 C-N-CA 121.352 -0.451 . . . . 0.0 113.601 174.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.557 ' HB ' ' HB3' ' A' ' 24' ' ' CYS . 21.3 t -127.49 103.94 11.44 Favored 'Isoleucine or valine' 0 C--O 1.238 0.487 0 CA-C-N 117.383 0.591 . . . . 0.0 110.313 -179.747 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 36.7 p90 -70.38 -178.76 1.81 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.639 -0.71 . . . . 0.0 111.218 -178.376 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.585 ' HG ' ' HB3' ' A' ' 37' ' ' TYR . 41.8 tp -112.95 110.21 20.13 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.348 -0.982 . . . . 0.0 108.348 174.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.487 ' O ' ' HA ' ' A' ' 37' ' ' TYR . . . -55.19 97.39 0.02 OUTLIER 'General case' 0 C--O 1.234 0.245 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.75 -173.757 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -80.59 110.33 15.97 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.258 179.034 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 -119.45 157.25 28.63 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.33 178.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -53.39 -29.54 35.25 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 115.889 -0.596 . . . . 0.0 112.126 -175.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -89.24 -38.92 13.88 Favored 'General case' 0 C--O 1.238 0.449 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.272 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 36.9 ptt180 -174.91 175.18 2.4 Favored 'General case' 0 C--O 1.231 0.092 0 CA-C-O 121.37 0.605 . . . . 0.0 111.8 -172.206 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.585 ' HB3' ' HG ' ' A' ' 30' ' ' LEU . 41.0 m-85 -98.31 154.66 17.66 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.034 -0.984 . . . . 0.0 109.461 173.806 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 20.5 p -153.15 159.71 42.76 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 110.395 -0.224 . . . . 0.0 110.395 177.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.661 ' SG ' ' O ' ' A' ' 40' ' ' GLY . 40.4 t -143.49 125.21 15.01 Favored 'General case' 0 CA--C 1.514 -0.44 0 N-CA-C 111.766 0.284 . . . . 0.0 111.766 -178.334 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.661 ' O ' ' SG ' ' A' ' 39' ' ' CYS . . . -70.3 -177.38 21.54 Favored Glycine 0 N--CA 1.445 -0.75 0 N-CA-C 109.961 -1.256 . . . . 0.0 109.961 163.032 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 27.4 ttt-85 74.69 -50.71 0.67 Allowed 'General case' 0 C--N 1.321 -0.648 0 C-N-CA 123.288 0.635 . . . . 0.0 111.087 177.016 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.426 ' SG ' ' HB2' ' A' ' 44' ' ' TYR . 10.5 p -125.18 -10.81 7.03 Favored 'General case' 0 C--N 1.344 0.34 0 C-N-CA 119.894 -0.723 . . . . 0.0 112.263 -179.296 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 77.43 18.42 77.93 Favored Glycine 0 C--N 1.336 0.578 0 C-N-CA 120.649 -0.786 . . . . 0.0 113.208 176.579 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.426 ' HB2' ' SG ' ' A' ' 42' ' ' CYS . 62.4 t80 -66.28 121.69 15.8 Favored 'General case' 0 C--O 1.235 0.334 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 178.849 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 87.2 m -134.18 131.88 39.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.55 -178.46 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -139.96 143.05 36.34 Favored 'General case' 0 C--O 1.222 -0.379 0 N-CA-C 108.693 -0.854 . . . . 0.0 108.693 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 71.1 m-85 -76.24 156.37 33.6 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.637 0.256 . . . . 0.0 111.326 -176.736 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 5.9 mmtt -66.14 106.2 1.58 Allowed 'General case' 0 C--O 1.233 0.228 0 N-CA-C 109.887 -0.412 . . . . 0.0 109.887 177.612 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -95.28 111.23 23.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.746 -175.505 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . 68.87 127.78 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.328 0 N-CA-C 113.598 0.962 . . . . 0.0 113.598 169.349 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.427 ' HB3' ' HE2' ' A' ' 51' ' ' LYS . 40.7 mtpt -109.69 -178.2 3.48 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 114.979 -1.009 . . . . 0.0 108.961 169.04 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.35 138.01 24.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.921 0.391 . . . . 0.0 111.454 178.114 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 50.5 m 63.31 -178.81 0.15 Allowed 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 115.359 -0.837 . . . . 0.0 112.3 177.227 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -103.44 21.8 15.38 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.072 178.638 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 50.0 m . . . . . 0 C--O 1.252 1.198 0 CA-C-O 118.492 -0.766 . . . . 0.0 110.015 -179.512 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.2 mtt . . . . . 0 N--CA 1.482 1.138 0 N-CA-C 110.351 -0.24 . . . . 0.0 110.351 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 27.6 pt20 -73.04 103.94 3.98 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-O 121.337 0.589 . . . . 0.0 110.165 178.287 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -105.41 -42.94 5.1 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.203 -175.498 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 95.8 mtt180 -137.29 171.27 14.74 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-N 116.273 -0.421 . . . . 0.0 109.972 -179.068 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -155.02 -60.27 0.11 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.924 0.393 . . . . 0.0 110.02 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 88.6 mt -65.1 159.45 23.33 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.405 -176.403 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 34.0 p90 -145.66 144.57 30.49 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.556 -0.747 . . . . 0.0 109.829 -179.654 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 51.9 mm-40 -94.26 113.5 25.43 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.229 -177.375 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 37.4 pt -132.25 -22.66 0.91 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.366 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.22 175.343 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -74.97 116.81 16.12 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-O 120.774 0.321 . . . . 0.0 111.701 -175.414 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -168.56 -67.18 0.02 OUTLIER 'General case' 0 C--O 1.236 0.371 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 176.493 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 68.36 -92.52 0.27 Allowed Glycine 0 N--CA 1.451 -0.32 0 CA-C-N 115.475 -0.784 . . . . 0.0 114.005 172.64 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -56.11 117.82 4.1 Favored 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 122.872 0.469 . . . . 0.0 111.707 -173.693 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 98.9 mt -101.89 114.77 29.15 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.053 -0.522 . . . . 0.0 109.901 176.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.412 ' O ' ' HD3' ' A' ' 19' ' ' ARG . 56.6 t -86.6 114.69 26.37 Favored 'Isoleucine or valine' 0 C--O 1.236 0.377 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.42 -178.319 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.412 ' O ' ' HG2' ' A' ' 19' ' ' ARG . 6.3 mpt_? -90.81 -89.99 0.16 Allowed 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.034 -179.724 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 56.7 mttp -94.25 75.14 3.98 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 121.116 0.484 . . . . 0.0 110.59 -175.8 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 64.7 t60 -172.96 28.97 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.078 -0.965 . . . . 0.0 108.491 177.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.412 ' HD3' ' O ' ' A' ' 15' ' ' VAL . 10.0 mmm180 -87.17 122.29 30.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.17 -0.923 . . . . 0.0 110.085 -175.825 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.477 ' HA ' ' HA ' ' A' ' 29' ' ' PHE . 42.1 m-85 -100.32 135.13 42.23 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 109.619 -0.511 . . . . 0.0 109.619 175.485 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 46.8 t -51.4 129.7 33.4 Favored Pre-proline 0 C--N 1.331 -0.234 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.843 -175.329 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -36.06 -54.07 0.88 Allowed 'Trans proline' 0 C--N 1.352 0.724 0 C-N-CA 123.663 2.909 . . . . 0.0 113.568 -174.147 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 14.1 mtm180 -97.83 -40.65 8.42 Favored 'General case' 0 CA--C 1.534 0.353 0 N-CA-C 112.116 0.413 . . . . 0.0 112.116 -175.225 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.575 ' HB3' ' HB ' ' A' ' 28' ' ' VAL . 19.4 m -75.94 -2.0 28.28 Favored 'General case' 0 N--CA 1.478 0.934 0 O-C-N 122.303 -0.248 . . . . 0.0 111.327 -179.555 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -37.78 -56.14 1.71 Allowed Glycine 0 C--N 1.336 0.583 0 O-C-N 123.815 0.697 . . . . 0.0 113.507 -173.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_exo -61.69 83.68 0.09 OUTLIER 'Trans proline' 0 C--O 1.236 0.41 0 C-N-CA 122.28 1.987 . . . . 0.0 111.767 174.018 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 118.32 -24.32 8.72 Favored Glycine 0 CA--C 1.521 0.46 0 CA-C-N 116.195 -0.457 . . . . 0.0 113.484 175.08 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.575 ' HB ' ' HB3' ' A' ' 24' ' ' CYS . 46.7 t -134.99 122.42 37.24 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.423 0 CA-C-N 117.409 0.605 . . . . 0.0 111.373 -178.228 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.477 ' HA ' ' HA ' ' A' ' 20' ' ' PHE . 38.5 p90 -78.91 -164.6 0.62 Allowed 'General case' 0 CA--C 1.535 0.401 0 CA-C-N 115.383 -0.826 . . . . 0.0 111.376 179.834 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 38.5 tp -129.17 109.22 10.98 Favored 'General case' 0 C--O 1.234 0.24 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 173.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -73.14 111.56 8.37 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.419 -174.484 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -77.92 131.79 37.62 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-O 120.982 0.42 . . . . 0.0 109.913 174.488 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 76.5 m-70 -125.23 158.57 33.73 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 173.461 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -53.39 -32.66 50.51 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 111.977 0.362 . . . . 0.0 111.977 -175.263 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -95.13 -26.18 16.12 Favored 'General case' 0 C--O 1.236 0.389 0 N-CA-C 112.121 0.415 . . . . 0.0 112.121 -175.546 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.544 ' NH1' HG23 ' A' ' 45' ' ' THR . 25.7 ptt180 -175.51 166.62 3.27 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 121.155 0.502 . . . . 0.0 111.85 -172.08 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -97.49 146.26 25.41 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 108.075 -1.083 . . . . 0.0 108.075 172.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 21.8 t -145.99 162.07 38.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.225 0.536 . . . . 0.0 111.514 -179.006 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.46 ' SG ' ' HB2' ' A' ' 41' ' ' ARG . 27.6 t -137.84 106.67 5.93 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 115.42 -0.809 . . . . 0.0 111.045 -178.767 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -75.07 62.71 2.52 Favored Glycine 0 CA--C 1.52 0.365 0 O-C-N 123.42 0.45 . . . . 0.0 112.156 176.406 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.491 ' HG3' HG23 ' A' ' 28' ' ' VAL . 20.7 mmt180 -159.01 -72.47 0.08 Allowed 'General case' 0 N--CA 1.464 0.235 0 C-N-CA 123.376 0.671 . . . . 0.0 110.023 -178.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.47 ' SG ' ' HB2' ' A' ' 44' ' ' TYR . 31.1 p -96.1 1.15 52.26 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 120.843 0.354 . . . . 0.0 110.793 179.669 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 70.37 28.04 71.86 Favored Glycine 0 C--N 1.334 0.438 0 C-N-CA 120.957 -0.639 . . . . 0.0 111.734 179.215 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.47 ' HB2' ' SG ' ' A' ' 42' ' ' CYS . 61.5 t80 -77.82 108.51 11.1 Favored 'General case' 0 N--CA 1.453 -0.296 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 176.587 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.544 HG23 ' NH1' ' A' ' 36' ' ' ARG . 52.0 m -130.32 124.41 32.24 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.791 -0.641 . . . . 0.0 109.45 179.075 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -129.74 130.79 45.87 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.102 -0.499 . . . . 0.0 109.811 -175.739 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 59.2 m-85 -57.96 147.04 30.34 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 120.73 0.3 . . . . 0.0 110.829 -178.714 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 5.4 tmtt? -57.77 100.99 0.06 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.872 -0.603 . . . . 0.0 111.016 -174.316 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -64.15 83.86 0.03 OUTLIER 'General case' 0 C--O 1.235 0.308 0 N-CA-C 109.168 -0.678 . . . . 0.0 109.168 174.467 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -75.5 90.98 2.75 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.54 -0.755 . . . . 0.0 111.686 -172.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.426 ' HA ' ' HD3' ' A' ' 51' ' ' LYS . 64.4 mmtt -92.99 111.43 23.06 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 171.634 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 27.5 tptp -54.62 -38.04 66.34 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.153 -175.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 15.8 m 64.48 32.3 11.87 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.21 178.263 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt 65.23 -162.21 0.27 Allowed 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.467 177.702 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 29.5 t . . . . . 0 C--O 1.253 1.25 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 176.558 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 62.8 mtt . . . . . 0 N--CA 1.481 1.085 0 N-CA-C 110.184 -0.302 . . . . 0.0 110.184 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -59.77 149.31 31.37 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 121.108 0.48 . . . . 0.0 111.984 -174.765 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.405 ' HE3' ' HB3' ' A' ' 5' ' ' GLU . 55.3 tttp -68.28 103.96 1.72 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.229 -0.896 . . . . 0.0 111.264 -176.207 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 50.9 mtt180 -81.01 67.02 6.76 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.794 0.807 . . . . 0.0 109.395 175.428 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.49 ' O ' ' HG3' ' A' ' 5' ' ' GLU . 8.8 tp10 -156.56 17.85 0.33 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 114.477 -1.238 . . . . 0.0 108.781 -179.357 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.438 ' HB2' ' O ' ' A' ' 5' ' ' GLU . 7.7 mp 67.33 168.23 0.25 Allowed 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 115.483 -0.78 . . . . 0.0 110.573 -174.186 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 80.7 m-85 -108.95 137.32 47.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.587 -178.591 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 43.7 mm-40 -91.54 106.63 18.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.091 176.371 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 33.7 pt -71.14 -23.42 23.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.111 -177.755 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -80.89 123.76 28.55 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.717 -178.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -61.68 113.13 2.56 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.219 176.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -72.2 -87.88 0.15 Allowed Glycine 0 N--CA 1.45 -0.392 0 N-CA-C 111.446 -0.661 . . . . 0.0 111.446 177.407 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm 59.95 174.88 0.09 Allowed 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 121.224 0.535 . . . . 0.0 111.35 179.054 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 93.2 mt -119.14 98.71 6.3 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 177.338 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 85.4 t -82.41 114.68 23.67 Favored 'Isoleucine or valine' 0 C--O 1.235 0.312 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.827 -176.723 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 96.7 mtt180 -102.1 -30.15 11.33 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.071 179.676 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -67.39 131.19 45.21 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.661 -177.726 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 80.5 m-70 -68.63 106.37 2.58 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.749 -178.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 33.1 mtp85 -60.69 153.28 24.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.426 -0.806 . . . . 0.0 112.367 -173.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -106.75 -179.79 4.04 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 172.568 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 43.7 t -91.97 123.48 62.87 Favored Pre-proline 0 C--N 1.326 -0.444 0 C-N-CA 120.515 -0.474 . . . . 0.0 110.214 177.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 74.8 Cg_exo -43.54 -49.04 8.08 Favored 'Trans proline' 0 C--N 1.349 0.591 0 C-N-CA 123.186 2.591 . . . . 0.0 113.481 -173.173 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 23.1 mtp180 -86.72 -57.21 3.07 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.317 -174.747 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 3.3 m -73.02 -3.98 29.52 Favored 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 111.862 0.319 . . . . 0.0 111.862 -175.666 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -38.33 -65.18 0.74 Allowed Glycine 0 C--N 1.341 0.848 0 O-C-N 123.517 0.511 . . . . 0.0 114.32 -172.039 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -64.48 81.02 0.17 Allowed 'Trans proline' 0 CA--C 1.533 0.459 0 C-N-CA 122.362 2.041 . . . . 0.0 111.732 178.558 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 131.32 -24.48 4.18 Favored Glycine 0 CA--C 1.519 0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 112.639 178.179 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 19.3 t -133.32 107.44 11.13 Favored 'Isoleucine or valine' 0 C--O 1.239 0.543 0 CA-C-N 116.828 0.314 . . . . 0.0 110.64 -178.567 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 50.8 p90 -62.83 172.6 1.62 Allowed 'General case' 0 C--O 1.237 0.442 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.556 174.46 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 35.8 tp -102.92 117.14 33.95 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 176.235 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.13 89.47 0.08 Allowed 'General case' 0 C--O 1.235 0.342 0 CA-C-O 121.198 0.523 . . . . 0.0 110.548 -177.666 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -75.74 134.37 40.49 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.784 -179.711 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 80.3 m-70 -133.15 152.58 51.94 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 173.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -55.69 -25.37 39.52 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 111.719 0.266 . . . . 0.0 111.719 -177.117 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -92.67 -32.85 14.6 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.656 -178.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 12.4 ptp180 -173.04 170.54 4.4 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 121.161 0.505 . . . . 0.0 111.343 -175.482 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 67.8 m-85 -98.49 149.03 23.14 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.451 -0.795 . . . . 0.0 109.079 174.06 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 33.4 t -142.36 162.26 35.93 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.93 -0.396 . . . . 0.0 109.93 178.735 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.637 ' SG ' ' O ' ' A' ' 40' ' ' GLY . 42.4 t -147.03 125.81 12.65 Favored 'General case' 0 CA--C 1.513 -0.453 0 N-CA-C 111.779 0.289 . . . . 0.0 111.779 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.637 ' O ' ' SG ' ' A' ' 39' ' ' CYS . . . -67.65 178.73 18.56 Favored Glycine 0 N--CA 1.447 -0.579 0 N-CA-C 110.031 -1.228 . . . . 0.0 110.031 163.456 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.452 ' HB2' ' O ' ' A' ' 40' ' ' GLY . 22.6 mmt180 76.14 -53.55 0.61 Allowed 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 123.008 0.523 . . . . 0.0 111.224 177.245 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.42 ' SG ' ' HB2' ' A' ' 44' ' ' TYR . 13.6 p -122.68 -9.1 8.43 Favored 'General case' 0 N--CA 1.464 0.236 0 C-N-CA 119.93 -0.708 . . . . 0.0 112.04 -177.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 72.05 21.12 79.23 Favored Glycine 0 C--N 1.335 0.478 0 C-N-CA 120.625 -0.798 . . . . 0.0 112.91 177.359 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.42 ' HB2' ' SG ' ' A' ' 42' ' ' CYS . 85.3 t80 -63.42 124.83 22.31 Favored 'General case' 0 C--O 1.234 0.286 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 178.086 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 86.9 m -127.74 135.22 49.84 Favored 'General case' 0 C--N 1.327 -0.387 0 O-C-N 123.675 0.609 . . . . 0.0 109.845 178.04 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -139.22 114.61 9.75 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 79.3 m-85 -58.8 145.98 38.73 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.726 0.298 . . . . 0.0 111.044 -179.232 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 31.3 mmtt -64.14 90.79 0.07 Allowed 'General case' 0 C--O 1.235 0.314 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.699 178.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -74.49 116.53 15.28 Favored 'General case' 0 C--O 1.236 0.355 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 175.761 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -153.92 90.21 1.36 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.624 -0.717 . . . . 0.0 109.848 177.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.549 ' HA ' ' HE2' ' A' ' 51' ' ' LYS . 0.1 OUTLIER -64.11 -33.39 75.65 Favored 'General case' 0 C--O 1.233 0.225 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 178.163 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -106.32 141.63 37.33 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.133 -0.94 . . . . 0.0 109.188 170.576 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 20.0 m -144.29 116.88 8.63 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.754 -0.461 . . . . 0.0 109.754 178.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.749 ' HZ1' ' HB2' ' A' ' 54' ' ' LYS . 0.1 OUTLIER -69.49 89.41 0.51 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.295 0.569 . . . . 0.0 110.509 -179.692 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 17.3 m . . . . . 0 C--O 1.25 1.119 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.171 -179.783 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.58 ' SD ' ' N ' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.481 1.125 0 CA-C-O 120.679 0.276 . . . . 0.0 110.471 . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -96.83 115.61 27.73 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.448 -178.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 17.6 ptpt -66.54 145.96 55.05 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.517 178.6 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 22.1 mmt85 -88.01 123.9 33.19 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.215 -178.438 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 72.5 mm-40 -88.74 -76.79 0.39 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.747 -176.39 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 44.8 tp 70.14 150.42 0.09 Allowed 'General case' 0 C--O 1.235 0.314 0 O-C-N 123.917 0.761 . . . . 0.0 109.435 -168.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 95.2 m-85 -72.03 90.82 1.19 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.347 0.594 . . . . 0.0 111.064 -175.284 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 24.5 mm-40 -77.18 137.29 38.78 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-N 115.141 -0.936 . . . . 0.0 110.649 177.12 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 50.4 mm 66.94 104.09 0.04 OUTLIER 'Isoleucine or valine' 0 C--O 1.234 0.278 0 O-C-N 123.771 0.669 . . . . 0.0 110.655 179.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.15 159.75 9.23 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-N 115.725 -0.67 . . . . 0.0 111.647 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.412 ' OD2' ' HG2' ' A' ' 13' ' ' LYS . 4.4 p-10 -56.11 142.11 37.88 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.113 178.624 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -93.9 66.5 1.61 Allowed Glycine 0 C--N 1.331 0.264 0 C-N-CA 121.209 -0.519 . . . . 0.0 113.382 -174.21 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.412 ' HG2' ' OD2' ' A' ' 11' ' ' ASP . 72.9 mmtt -65.03 95.39 0.16 Allowed 'General case' 0 N--CA 1.465 0.303 0 N-CA-C 111.608 0.225 . . . . 0.0 111.608 179.379 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 80.0 mt 63.39 8.41 3.47 Favored 'General case' 0 N--CA 1.47 0.528 0 N-CA-C 112.637 0.606 . . . . 0.0 112.637 171.597 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 34.2 m -85.04 36.25 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.317 0 CA-C-O 120.812 0.339 . . . . 0.0 111.184 -177.64 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 38.5 ttm180 -51.84 -40.56 60.74 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.497 -177.069 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -135.67 87.94 2.36 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 -178.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 56.5 p-80 -115.82 33.57 5.42 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.5 -175.636 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 51.2 mtt180 -65.43 102.52 0.7 Allowed 'General case' 0 C--O 1.235 0.328 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.39 178.408 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.55 ' HB3' ' HA2' ' A' ' 25' ' ' GLY . 95.0 m-85 -77.92 160.43 28.25 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.809 176.752 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.42 ' O ' ' N ' ' A' ' 25' ' ' GLY . 50.6 t -61.89 128.14 90.13 Favored Pre-proline 0 C--N 1.327 -0.373 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 178.321 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_exo -40.31 -52.98 2.78 Favored 'Trans proline' 0 C--N 1.349 0.602 0 C-N-CA 123.027 2.484 . . . . 0.0 113.343 -173.7 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 15.7 mmt180 -90.41 -37.68 13.8 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 116.022 -0.536 . . . . 0.0 112.243 -172.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.565 ' SG ' ' HD2' ' A' ' 41' ' ' ARG . 11.0 m -89.03 -0.73 57.67 Favored 'General case' 0 N--CA 1.477 0.898 0 O-C-N 122.357 -0.215 . . . . 0.0 111.377 -178.66 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.55 ' HA2' ' HB3' ' A' ' 20' ' ' PHE . . . -36.6 -62.3 0.8 Allowed Glycine 0 C--N 1.333 0.377 0 O-C-N 123.859 0.724 . . . . 0.0 114.612 -169.405 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 44.7 Cg_exo -57.29 84.72 0.04 OUTLIER 'Trans proline' 0 CA--C 1.535 0.556 0 C-N-CA 122.558 2.172 . . . . 0.0 112.432 178.368 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 113.88 -24.28 12.09 Favored Glycine 0 CA--C 1.521 0.42 0 CA-C-N 115.805 -0.634 . . . . 0.0 113.524 175.721 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.556 ' HB ' ' HB3' ' A' ' 24' ' ' CYS . 44.6 t -126.58 109.67 21.57 Favored 'Isoleucine or valine' 0 C--O 1.237 0.41 0 CA-C-O 121.184 0.516 . . . . 0.0 110.921 -177.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 37.0 p90 -76.43 -163.83 0.35 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.224 -0.898 . . . . 0.0 111.106 -179.64 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.416 ' HG ' ' HB3' ' A' ' 37' ' ' TYR . 30.1 tp -116.94 118.88 33.66 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 176.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -69.03 89.86 0.44 Allowed 'General case' 0 C--O 1.234 0.237 0 CA-C-O 121.046 0.451 . . . . 0.0 111.181 -175.665 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -75.21 126.86 31.89 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.85 178.699 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -130.62 156.85 44.18 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 174.15 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -54.35 -28.51 43.42 Favored 'General case' 0 C--O 1.235 0.314 0 O-C-N 123.296 0.372 . . . . 0.0 111.515 -177.522 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -83.94 -41.43 17.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.022 179.754 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 18.8 ptt180 -177.37 172.3 1.87 Allowed 'General case' 0 N--CA 1.463 0.194 0 CA-C-O 121.23 0.538 . . . . 0.0 111.539 -174.791 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.416 ' HB3' ' HG ' ' A' ' 30' ' ' LEU . 14.1 m-85 -98.67 137.96 36.54 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.246 -0.888 . . . . 0.0 109.046 176.554 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 47.1 t -134.38 161.34 35.27 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.877 0.37 . . . . 0.0 110.499 179.788 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 41.3 t -140.55 88.5 2.2 Favored 'General case' 0 C--O 1.238 0.471 0 CA-C-N 116.598 -0.274 . . . . 0.0 111.738 175.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -67.02 74.83 0.17 Allowed Glycine 0 C--N 1.332 0.354 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 172.2 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.565 ' HD2' ' SG ' ' A' ' 24' ' ' CYS . 0.5 OUTLIER -171.89 -30.68 0.01 OUTLIER 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 109.109 -0.7 . . . . 0.0 109.109 -174.584 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.403 ' SG ' ' HB2' ' A' ' 44' ' ' TYR . 26.0 p -147.45 -3.3 0.55 Allowed 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.718 174.797 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 79.89 22.99 62.65 Favored Glycine 0 C--N 1.338 0.646 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.558 179.71 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.403 ' HB2' ' SG ' ' A' ' 42' ' ' CYS . 59.2 t80 -79.4 123.23 27.31 Favored 'General case' 0 C--O 1.24 0.558 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 176.566 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 62.3 m -140.08 147.6 40.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 123.634 0.584 . . . . 0.0 110.626 -175.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -149.79 138.15 20.61 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 178.203 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 79.2 m-85 -77.07 147.48 36.65 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.66 0.267 . . . . 0.0 110.829 -177.366 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 25.0 mmtt -61.98 104.48 0.47 Allowed 'General case' 0 C--O 1.233 0.204 0 CA-C-N 116.134 -0.485 . . . . 0.0 109.714 176.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.42 ' HE3' ' HB2' ' A' ' 49' ' ' LYS . 5.9 ttmt -102.89 96.89 7.12 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.231 -177.521 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.51 -40.6 95.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.623 -178.082 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.415 ' HE3' ' HB2' ' A' ' 51' ' ' LYS . 32.7 ttmt -155.59 149.54 25.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.868 179.741 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 18.0 pttp -148.93 136.4 20.31 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.37 -175.463 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 35.7 t -92.75 75.31 4.95 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.32 179.515 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 67.8 mttm 57.77 -82.32 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 115.533 -0.758 . . . . 0.0 111.778 178.536 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 14.3 p . . . . . 0 C--O 1.252 1.189 0 CA-C-O 118.767 -0.635 . . . . 0.0 110.089 -178.276 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.1 ptt? . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 120.603 0.239 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 44.3 tt0 -112.39 101.01 9.23 Favored 'General case' 0 C--O 1.235 0.315 0 N-CA-C 110.069 -0.345 . . . . 0.0 110.069 179.41 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 60.1 tptt -80.8 140.14 35.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.006 179.03 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 61.5 mtp180 -127.75 168.37 15.2 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.071 0.462 . . . . 0.0 111.299 179.005 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.55 -29.31 66.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.245 -0.888 . . . . 0.0 110.556 175.686 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.413 HD22 ' HD2' ' A' ' 7' ' ' TYR . 4.5 tt 63.83 -92.6 0.03 OUTLIER 'General case' 0 CA--C 1.537 0.445 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.986 177.118 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.413 ' HD2' HD22 ' A' ' 6' ' ' LEU . 47.0 m-85 -160.17 172.91 16.58 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 122.656 0.383 . . . . 0.0 110.578 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -74.46 166.4 23.58 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.207 178.887 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 40.2 pt -99.35 174.42 0.94 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.29 0 CA-C-O 120.905 0.383 . . . . 0.0 110.826 177.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -86.08 79.35 9.18 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.508 177.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -102.35 -53.74 2.83 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.969 -0.559 . . . . 0.0 109.566 176.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -80.86 54.29 4.67 Favored Glycine 0 N--CA 1.452 -0.235 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.582 176.642 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 65.5 tttm -66.11 -32.54 74.05 Favored 'General case' 0 C--O 1.237 0.43 0 C-N-CA 122.85 0.46 . . . . 0.0 111.304 -174.27 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 46.2 tp -95.61 90.79 5.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.453 -179.591 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 20.5 m -135.27 162.19 38.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.762 177.55 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.514 ' HB3' ' HG2' ' A' ' 19' ' ' ARG . 13.9 tpt180 -89.13 140.02 29.88 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.362 -177.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 6.0 tmtm? -66.97 118.55 10.6 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 179.094 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.485 ' CG ' ' O ' ' A' ' 18' ' ' HIS . 3.7 p-80 47.2 92.4 0.01 OUTLIER 'General case' 0 CA--C 1.538 0.498 0 CA-C-O 122.218 1.008 . . . . 0.0 110.719 -173.865 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.514 ' HG2' ' HB3' ' A' ' 16' ' ' ARG . 80.8 mtp180 -82.65 167.21 18.48 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.584 -177.246 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 57.6 m-85 -101.71 142.26 33.32 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 173.274 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 52.6 t -63.74 121.9 73.52 Favored Pre-proline 0 C--N 1.325 -0.5 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.316 -177.494 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -42.18 -39.52 6.06 Favored 'Trans proline' 0 C--N 1.351 0.683 0 C-N-CA 123.106 2.538 . . . . 0.0 113.564 -172.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 59.5 mmt-85 -93.78 -55.41 3.26 Favored 'General case' 0 CA--C 1.536 0.419 0 N-CA-C 111.951 0.352 . . . . 0.0 111.951 -177.58 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 4.2 m -75.86 -1.16 23.99 Favored 'General case' 0 N--CA 1.478 0.949 0 N-CA-C 111.665 0.246 . . . . 0.0 111.665 -176.636 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.401 ' O ' ' N ' ' A' ' 27' ' ' GLY . . . -33.52 -62.29 0.41 Allowed Glycine 0 N--CA 1.466 0.663 0 N-CA-C 115.454 0.942 . . . . 0.0 115.454 -169.21 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -53.01 84.09 0.02 OUTLIER 'Trans proline' 0 CA--C 1.535 0.568 0 C-N-CA 122.774 2.316 . . . . 0.0 113.138 -178.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.401 ' N ' ' O ' ' A' ' 25' ' ' GLY . . . 107.41 -24.96 23.04 Favored Glycine 0 CA--C 1.518 0.268 0 CA-C-N 116.031 -0.531 . . . . 0.0 112.735 176.84 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 39.4 t -118.81 98.54 6.53 Favored 'Isoleucine or valine' 0 C--O 1.238 0.5 0 CA-C-O 121.345 0.593 . . . . 0.0 110.117 -178.726 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 37.7 p90 -75.66 -170.07 1.2 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.098 -0.955 . . . . 0.0 111.226 -178.003 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.668 ' HG ' ' HB3' ' A' ' 37' ' ' TYR . 26.7 tp -113.28 101.07 9.06 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 108.549 -0.908 . . . . 0.0 108.549 176.128 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -55.03 107.48 0.31 Allowed 'General case' 0 C--O 1.232 0.172 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.748 -172.46 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -79.36 111.71 15.88 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.553 179.155 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 65.2 m-70 -111.77 153.35 26.66 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 108.851 -0.796 . . . . 0.0 108.851 173.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.51 -22.09 42.01 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.871 0.367 . . . . 0.0 111.389 -178.346 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -91.04 -37.03 13.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.351 178.559 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.571 ' HB2' ' O ' ' A' ' 46' ' ' GLU . 17.1 ptt-85 -176.95 172.01 2.07 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-O 121.072 0.463 . . . . 0.0 111.49 -175.249 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.668 ' HB3' ' HG ' ' A' ' 30' ' ' LEU . 14.7 m-85 -97.5 129.04 44.71 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.256 175.637 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 46.5 p -127.7 157.11 41.21 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.004 0.431 . . . . 0.0 111.022 -179.201 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.679 ' SG ' ' O ' ' A' ' 40' ' ' GLY . 42.9 t -131.07 132.3 44.79 Favored 'General case' 0 CA--C 1.512 -0.486 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.066 177.062 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.679 ' O ' ' SG ' ' A' ' 39' ' ' CYS . . . -73.17 177.96 41.75 Favored Glycine 0 N--CA 1.442 -0.947 0 N-CA-C 109.751 -1.34 . . . . 0.0 109.751 164.558 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 12.5 mmt180 75.65 -54.8 0.63 Allowed 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 117.143 0.472 . . . . 0.0 110.976 175.705 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.6 ' SG ' ' HB2' ' A' ' 44' ' ' TYR . 11.2 p -121.26 -4.23 9.46 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 120.218 -0.593 . . . . 0.0 112.002 -178.855 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 69.48 13.11 67.7 Favored Glycine 0 C--N 1.335 0.475 0 C-N-CA 120.771 -0.728 . . . . 0.0 113.215 175.285 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.6 ' HB2' ' SG ' ' A' ' 42' ' ' CYS . 62.5 t80 -61.53 127.99 34.12 Favored 'General case' 0 C--O 1.234 0.248 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 -178.138 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 94.2 m -134.45 127.42 31.45 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.223 0.535 . . . . 0.0 112.117 -174.345 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.571 ' O ' ' HB2' ' A' ' 36' ' ' ARG . 10.9 tp10 -112.33 157.76 20.6 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 107.704 -1.221 . . . . 0.0 107.704 170.796 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -104.65 151.02 24.19 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 118.333 0.515 . . . . 0.0 111.915 -176.388 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 41.0 mmtt -72.22 83.68 1.03 Allowed 'General case' 0 C--O 1.234 0.27 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.242 176.567 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 83.8 mttt -66.12 115.69 6.4 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.252 -0.885 . . . . 0.0 109.087 174.616 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -45.02 128.36 7.11 Favored 'General case' 0 N--CA 1.464 0.261 0 O-C-N 123.938 0.774 . . . . 0.0 112.59 -170.561 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 31.7 mmmt -69.1 -45.22 70.79 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.128 179.049 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 57.1 mtpt 47.37 -94.4 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 115.461 -0.79 . . . . 0.0 110.632 -177.684 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 59.5 p -179.38 -47.07 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.134 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 176.799 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.453 ' HG2' ' O ' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -153.68 109.4 3.25 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-O 120.888 0.375 . . . . 0.0 110.782 174.774 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 40.5 m . . . . . 0 C--O 1.25 1.092 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.704 177.943 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.6 mtt . . . . . 0 N--CA 1.484 1.235 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.17 80.6 2.98 Favored 'General case' 0 C--O 1.234 0.257 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 177.199 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -107.31 172.06 7.04 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.902 177.218 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 92.5 mtt-85 -73.82 89.72 1.85 Allowed 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.52 -0.918 . . . . 0.0 108.52 171.611 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.411 ' HG3' ' N ' ' A' ' 6' ' ' LEU . 16.9 pt-20 -50.46 -48.87 56.42 Favored 'General case' 0 C--O 1.239 0.515 0 CA-C-N 115.438 -0.801 . . . . 0.0 111.103 -174.203 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.411 ' N ' ' HG3' ' A' ' 5' ' ' GLU . 88.6 mt 49.42 -161.9 0.05 OUTLIER 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.245 -175.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 -120.99 -15.84 8.18 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 173.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 66.73 131.93 0.02 OUTLIER 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 115.472 -0.786 . . . . 0.0 111.324 176.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.553 HD13 ' HA ' ' A' ' 52' ' ' LYS . 15.7 pt -74.29 70.5 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 121.66 0.743 . . . . 0.0 110.933 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -151.6 18.26 0.71 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.492 -179.253 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -76.23 136.99 39.69 Favored 'General case' 0 C--O 1.237 0.444 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.453 179.034 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 109.09 159.82 19.21 Favored Glycine 0 N--CA 1.451 -0.315 0 N-CA-C 111.489 -0.644 . . . . 0.0 111.489 -176.352 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 51.6 mtpt -87.79 36.19 0.75 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.342 0.592 . . . . 0.0 110.571 -178.11 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 80.9 mt -82.54 62.98 6.47 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.225 -179.616 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 60.1 t -65.44 -42.63 93.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.503 177.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 53.9 mtm180 -74.89 122.46 23.43 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.103 -0.953 . . . . 0.0 109.999 177.648 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.77 ' HA ' ' HZ2' ' A' ' 17' ' ' LYS . 0.1 OUTLIER -96.02 -15.83 22.02 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.697 -0.229 . . . . 0.0 110.699 179.063 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 80.5 m-70 61.5 27.29 16.86 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.451 177.268 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.5 ' O ' ' HB3' ' A' ' 30' ' ' LEU . 97.7 mtt180 -75.36 124.39 27.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.001 -178.16 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -107.51 168.59 9.13 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 171.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.434 ' O ' ' N ' ' A' ' 25' ' ' GLY . 39.4 t -81.21 111.36 23.77 Favored Pre-proline 0 C--N 1.326 -0.414 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 -178.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 67.1 Cg_exo -43.45 -39.5 9.42 Favored 'Trans proline' 0 C--N 1.35 0.648 0 C-N-CA 123.245 2.63 . . . . 0.0 113.418 -169.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 -85.45 -46.85 10.5 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.605 -175.57 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.444 ' CB ' ' HB ' ' A' ' 28' ' ' VAL . 4.5 m -89.97 -1.33 57.95 Favored 'General case' 0 N--CA 1.472 0.647 0 N-CA-C 111.786 0.291 . . . . 0.0 111.786 -176.489 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 21' ' ' CYS . . . -37.84 -73.46 0.14 Allowed Glycine 0 N--CA 1.464 0.564 0 O-C-N 123.692 0.62 . . . . 0.0 114.168 -168.189 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_exo -60.31 86.11 0.08 OUTLIER 'Trans proline' 0 CA--C 1.532 0.414 0 C-N-CA 122.3 2.0 . . . . 0.0 111.663 175.733 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 131.05 -25.51 4.11 Favored Glycine 0 N--CA 1.452 -0.273 0 CA-C-N 115.777 -0.647 . . . . 0.0 112.508 177.283 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.444 ' HB ' ' CB ' ' A' ' 24' ' ' CYS . 21.9 t -137.02 107.09 5.08 Favored 'Isoleucine or valine' 0 C--O 1.237 0.434 0 CA-C-O 120.839 0.352 . . . . 0.0 110.458 178.223 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 21.1 p90 -65.2 164.3 13.52 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.51 176.521 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.5 ' HB3' ' O ' ' A' ' 19' ' ' ARG . 57.3 tp -102.73 107.9 18.95 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.486 -0.931 . . . . 0.0 108.486 172.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.14 94.86 0.02 OUTLIER 'General case' 0 C--O 1.234 0.278 0 O-C-N 123.272 0.358 . . . . 0.0 110.685 -176.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.442 ' HG3' ' CE2' ' A' ' 37' ' ' TYR . 48.4 tt0 -86.12 90.72 8.21 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.804 -179.049 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 66.9 m-70 -89.18 151.25 22.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.418 -0.81 . . . . 0.0 109.3 177.428 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.07 -22.07 48.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.919 0.39 . . . . 0.0 110.29 175.586 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -82.75 -42.53 17.88 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 115.883 -0.598 . . . . 0.0 111.244 177.304 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.478 ' HB2' ' O ' ' A' ' 46' ' ' GLU . 16.1 ptp180 -175.9 173.05 2.36 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-O 121.072 0.463 . . . . 0.0 111.48 -174.078 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.442 ' CE2' ' HG3' ' A' ' 32' ' ' GLU . 33.0 m-85 -97.5 140.47 31.89 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 108.68 -0.859 . . . . 0.0 108.68 174.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 31.2 t -144.11 148.46 35.13 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 121.202 0.525 . . . . 0.0 111.808 -177.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 45.5 t -139.59 87.18 2.16 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.024 175.38 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -71.57 69.21 0.94 Allowed Glycine 0 C--N 1.335 0.474 0 O-C-N 123.425 0.453 . . . . 0.0 112.617 -179.345 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 16.7 mmt180 -160.31 -48.22 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 123.555 0.742 . . . . 0.0 109.418 -179.552 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 17.8 p -116.33 -14.59 11.02 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.441 176.635 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 89.77 27.36 22.02 Favored Glycine 0 C--N 1.335 0.485 0 C-N-CA 121.182 -0.532 . . . . 0.0 113.061 176.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 52.7 t80 -78.87 108.78 12.58 Favored 'General case' 0 C--O 1.237 0.434 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 174.532 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 49.3 m -140.29 146.39 38.5 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.195 -177.033 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.478 ' O ' ' HB2' ' A' ' 36' ' ' ARG . 13.7 tp10 -162.06 144.07 11.18 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 109.738 -0.468 . . . . 0.0 109.738 -179.221 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 86.7 m-85 -65.82 155.73 35.39 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-O 120.938 0.399 . . . . 0.0 111.233 -179.191 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 12.8 mmtt -69.75 80.02 0.44 Allowed 'General case' 0 C--O 1.234 0.266 0 CA-C-O 121.432 0.634 . . . . 0.0 110.032 174.777 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -144.63 69.37 1.26 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.307 -0.86 . . . . 0.0 109.083 178.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -86.38 1.9 49.53 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.671 -178.222 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.406 ' O ' ' HB3' ' A' ' 52' ' ' LYS . 41.0 mtpt -54.64 125.1 18.48 Favored 'General case' 0 C--O 1.234 0.262 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 176.233 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.553 ' HA ' HD13 ' A' ' 9' ' ' ILE . 26.5 ttpp 68.68 66.28 0.31 Allowed 'General case' 0 CA--C 1.531 0.213 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 -172.084 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 5.4 m -67.44 -69.24 0.33 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 114.816 -1.084 . . . . 0.0 110.914 -175.794 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 64.6 tttp 65.78 142.37 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.436 -178.07 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 57.9 m . . . . . 0 C--O 1.248 0.977 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.295 178.104 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.471 ' C ' ' SD ' ' A' ' 1' ' ' MET . 0.7 OUTLIER . . . . . 0 N--CA 1.482 1.143 0 CA-C-O 120.602 0.239 . . . . 0.0 110.668 . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 89.5 mt-30 -66.39 -50.45 63.41 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.151 -175.553 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.413 ' HD2' ' N ' ' A' ' 3' ' ' LYS . 3.2 mptp? -113.77 101.97 9.79 Favored 'General case' 0 C--O 1.234 0.283 0 N-CA-C 110.149 -0.315 . . . . 0.0 110.149 178.317 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 26.6 mtm180 -86.51 103.71 15.29 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 177.254 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -79.12 -57.68 3.61 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 177.09 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 68.4 mt 56.35 101.08 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.434 176.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 77.1 t80 -64.72 -32.98 74.9 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.71 -178.339 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -75.72 101.39 5.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.393 0.616 . . . . 0.0 110.261 178.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 55.0 mt -119.33 141.13 40.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 114.982 -1.008 . . . . 0.0 109.523 -179.043 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -151.72 149.76 29.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.618 0.247 . . . . 0.0 110.809 -179.501 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 13.2 p-10 -64.0 -37.09 86.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.716 -0.675 . . . . 0.0 109.481 176.226 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -163.5 -105.77 0.19 Allowed Glycine 0 N--CA 1.448 -0.53 0 N-CA-C 110.445 -1.062 . . . . 0.0 110.445 177.509 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 43.4 mmtm 58.33 25.43 12.77 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 121.3 0.571 . . . . 0.0 110.684 175.036 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 86.8 mt -73.35 133.23 43.76 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 115.496 -0.775 . . . . 0.0 109.928 -179.084 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 13.1 m -61.02 94.24 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 121.428 0.632 . . . . 0.0 111.212 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.401 ' O ' ' HB3' ' A' ' 17' ' ' LYS . 58.9 ttp180 -68.12 106.38 2.38 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.501 -0.772 . . . . 0.0 109.544 177.424 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.401 ' HB3' ' O ' ' A' ' 16' ' ' ARG . 85.3 tttt 67.65 112.01 0.04 OUTLIER 'General case' 0 C--O 1.234 0.286 0 O-C-N 123.76 0.662 . . . . 0.0 111.216 -173.625 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 89.3 m-70 -69.0 143.22 54.43 Favored 'General case' 0 C--O 1.237 0.413 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 172.072 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 75.7 mtp180 -67.66 139.66 56.8 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.023 0.44 . . . . 0.0 110.925 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -99.21 168.63 9.92 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.572 173.236 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 47.9 t -88.34 123.59 68.06 Favored Pre-proline 0 C--N 1.325 -0.481 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 176.304 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_endo -53.72 -23.55 26.85 Favored 'Trans proline' 0 CA--C 1.535 0.56 0 C-N-CA 122.964 2.443 . . . . 0.0 113.692 -169.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.54 ' NE ' ' HA ' ' A' ' 23' ' ' ARG . 4.1 mmp_? -106.2 -47.83 3.73 Favored 'General case' 0 N--CA 1.468 0.44 0 O-C-N 122.165 -0.334 . . . . 0.0 111.735 177.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.469 ' HB3' ' HB ' ' A' ' 28' ' ' VAL . 7.7 m -81.34 -0.06 39.41 Favored 'General case' 0 N--CA 1.474 0.771 0 N-CA-C 111.814 0.302 . . . . 0.0 111.814 -177.497 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -33.85 -62.19 0.45 Allowed Glycine 0 C--N 1.339 0.733 0 O-C-N 123.653 0.596 . . . . 0.0 114.133 -172.684 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 28.4 Cg_endo -62.75 98.65 0.2 Allowed 'Trans proline' 0 CA--C 1.534 0.493 0 C-N-CA 122.353 2.035 . . . . 0.0 112.108 176.223 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 106.54 -24.91 24.58 Favored Glycine 0 CA--C 1.518 0.248 0 CA-C-N 115.999 -0.546 . . . . 0.0 113.298 175.45 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.469 ' HB ' ' HB3' ' A' ' 24' ' ' CYS . 18.0 t -132.32 106.15 10.41 Favored 'Isoleucine or valine' 0 C--O 1.237 0.43 0 CA-C-N 117.187 0.494 . . . . 0.0 110.527 -178.651 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 41.7 p90 -72.02 -174.2 1.19 Allowed 'General case' 0 C--O 1.236 0.35 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.101 176.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.414 ' HG ' ' HB3' ' A' ' 37' ' ' TYR . 27.8 tp -106.31 113.72 27.41 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 177.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.21 97.17 0.03 OUTLIER 'General case' 0 C--O 1.233 0.219 0 CA-C-O 121.113 0.482 . . . . 0.0 110.78 -177.353 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 59.1 tt0 -84.48 125.22 32.19 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.633 -176.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 76.1 m-70 -128.13 156.47 42.81 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 176.48 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.32 -26.31 62.91 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 120.685 0.279 . . . . 0.0 111.609 -177.194 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -89.08 -36.26 15.86 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.487 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 15.5 ptp180 -168.52 166.22 12.16 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.326 0.584 . . . . 0.0 112.056 -169.629 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.414 ' HB3' ' HG ' ' A' ' 30' ' ' LEU . 62.1 m-85 -98.42 140.55 32.5 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 114.959 -1.018 . . . . 0.0 108.258 168.682 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 9.5 t -142.68 162.32 35.78 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 120.828 0.347 . . . . 0.0 110.112 -177.746 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.687 ' SG ' ' O ' ' A' ' 40' ' ' GLY . 46.1 t -149.19 127.99 12.54 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.589 -178.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.687 ' O ' ' SG ' ' A' ' 39' ' ' CYS . . . -73.39 -170.19 18.87 Favored Glycine 0 N--CA 1.443 -0.87 0 N-CA-C 109.468 -1.453 . . . . 0.0 109.468 161.764 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 14.5 mmt85 73.5 -48.17 0.67 Allowed 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 117.315 0.557 . . . . 0.0 111.243 175.636 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 15.7 p -126.87 -15.88 5.29 Favored 'General case' 0 C--N 1.342 0.267 0 C-N-CA 120.404 -0.518 . . . . 0.0 111.743 177.451 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 79.07 25.41 59.79 Favored Glycine 0 C--N 1.331 0.291 0 C-N-CA 120.399 -0.905 . . . . 0.0 112.474 179.701 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 79.3 t80 -71.54 116.0 11.38 Favored 'General case' 0 C--O 1.233 0.227 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 175.741 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 74.5 m -133.47 126.08 30.37 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.458 178.517 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -137.03 126.81 25.56 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -59.87 156.88 13.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.872 0.367 . . . . 0.0 111.658 -175.615 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 29.1 mmtt -57.98 88.65 0.01 OUTLIER 'General case' 0 C--O 1.232 0.164 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.496 176.365 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 85.7 tttt -58.41 -25.42 62.11 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 115.326 -0.852 . . . . 0.0 110.58 179.17 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . 59.62 -171.21 0.13 Allowed 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 115.793 -0.639 . . . . 0.0 111.508 175.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.582 ' HZ2' ' HB2' ' A' ' 51' ' ' LYS . 2.7 ttmp? -104.76 112.78 26.01 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 176.72 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 94.4 mttt 55.67 47.83 19.78 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 121.228 0.537 . . . . 0.0 110.449 179.389 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 22.0 t -53.78 119.46 4.99 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 115.156 -0.929 . . . . 0.0 110.873 -177.18 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 39.3 ttpt 64.76 92.74 0.07 Allowed 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.693 -179.725 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 10.7 p . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.742 -0.647 . . . . 0.0 110.241 -179.01 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 86.1 mtp . . . . . 0 N--CA 1.483 1.179 0 CA-C-O 120.582 0.229 . . . . 0.0 110.445 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.1 pm0 -68.42 139.68 55.78 Favored 'General case' 0 C--O 1.234 0.239 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 174.235 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.616 ' HD2' ' N ' ' A' ' 3' ' ' LYS . 2.6 mptp? -72.64 96.04 1.94 Allowed 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.347 0.594 . . . . 0.0 110.52 -174.678 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 40.0 mmt180 -82.58 121.97 27.49 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.366 175.103 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.408 ' O ' ' HB2' ' A' ' 6' ' ' LEU . 36.4 mt-10 -83.59 50.42 1.79 Allowed 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 178.267 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.408 ' HB2' ' O ' ' A' ' 5' ' ' GLU . 7.7 mp 68.04 149.97 0.07 Allowed 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 115.092 -0.958 . . . . 0.0 110.291 -171.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 78.8 m-85 -67.88 -25.03 65.31 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-O 121.099 0.476 . . . . 0.0 110.01 178.345 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -90.23 91.71 8.63 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.577 174.339 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 23.6 pt -90.81 132.14 36.16 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.02 -179.25 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 62.47 -174.11 0.15 Allowed 'General case' 0 C--O 1.238 0.497 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.497 -177.304 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 25.8 t70 65.82 98.42 0.05 OUTLIER 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 121.097 0.475 . . . . 0.0 110.688 -178.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -88.23 -177.12 47.45 Favored Glycine 0 C--O 1.236 0.275 0 CA-C-N 115.869 -0.605 . . . . 0.0 112.253 -179.728 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 24.0 mtpp -95.99 70.1 2.85 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.593 0.711 . . . . 0.0 109.462 -178.442 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.562 ' HB2' ' HD2' ' A' ' 17' ' ' LYS . 1.8 pt? -78.7 19.54 0.5 Allowed 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 115.303 -0.862 . . . . 0.0 112.283 -172.379 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 60.3 t -59.91 -41.29 85.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.872 0.368 . . . . 0.0 110.626 179.726 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 22.9 tpt180 -122.38 97.55 5.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 109.817 176.659 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.562 ' HD2' ' HB2' ' A' ' 14' ' ' LEU . 48.1 mtpt -99.66 172.21 7.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.202 178.069 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 6.5 p-80 -175.01 170.44 3.21 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.85 -177.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 75.7 ttt180 -60.79 135.04 57.66 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.554 177.076 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 90.3 m-85 -81.16 -179.23 7.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.138 176.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.405 ' O ' ' N ' ' A' ' 25' ' ' GLY . 46.1 t -71.25 121.7 84.99 Favored Pre-proline 0 C--N 1.33 -0.277 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 -179.282 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -38.62 -45.87 2.46 Favored 'Trans proline' 0 C--N 1.35 0.647 0 C-N-CA 123.514 2.81 . . . . 0.0 113.991 -171.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 5.1 mmp_? -91.48 -47.52 7.38 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.507 -176.471 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.534 ' HB3' ' HB ' ' A' ' 28' ' ' VAL . 8.3 m -81.57 -1.25 45.68 Favored 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 111.597 0.221 . . . . 0.0 111.597 -175.527 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.405 ' N ' ' O ' ' A' ' 21' ' ' CYS . . . -40.82 -64.0 1.34 Allowed Glycine 0 C--N 1.338 0.648 0 O-C-N 123.495 0.497 . . . . 0.0 114.168 -171.357 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_endo -68.02 83.78 0.44 Allowed 'Trans proline' 0 N--CA 1.461 -0.441 0 C-N-CA 122.116 1.877 . . . . 0.0 111.725 177.071 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 131.36 -25.13 4.09 Favored Glycine 0 CA--C 1.519 0.326 0 CA-C-N 115.985 -0.552 . . . . 0.0 113.373 175.706 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.534 ' HB ' ' HB3' ' A' ' 24' ' ' CYS . 42.3 t -132.3 133.2 60.41 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.42 0 CA-C-N 117.265 0.532 . . . . 0.0 110.754 -178.888 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 49.4 p90 -77.27 178.72 6.88 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.612 -178.353 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 44.7 tp -127.5 107.96 10.39 Favored 'General case' 0 C--O 1.234 0.269 0 N-CA-C 108.987 -0.746 . . . . 0.0 108.987 174.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.5 ' HB3' ' HB3' ' A' ' 38' ' ' SER . . . -62.62 97.9 0.11 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.881 0.372 . . . . 0.0 110.981 -176.455 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -82.25 132.1 35.23 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.549 -179.779 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 75.9 m-70 -134.84 155.56 50.43 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 176.509 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.23 -22.82 53.7 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.922 0.392 . . . . 0.0 111.435 -177.49 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -94.16 -34.96 12.73 Favored 'General case' 0 C--O 1.237 0.422 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.464 -179.627 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 21.4 ptt180 -173.4 168.02 4.63 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 121.225 0.536 . . . . 0.0 111.848 -170.464 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 50.1 m-85 -99.91 148.87 24.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.322 -0.854 . . . . 0.0 109.159 173.722 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.5 ' HB3' ' HB3' ' A' ' 31' ' ' ALA . 32.6 t -135.09 147.85 49.67 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.044 0.45 . . . . 0.0 111.034 -177.176 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 41.8 t -141.03 89.67 2.26 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.89 174.299 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -71.17 63.33 1.0 Allowed Glycine 0 CA--C 1.521 0.434 0 O-C-N 123.417 0.448 . . . . 0.0 112.286 176.083 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 20.7 tpt180 -161.04 -29.97 0.05 Allowed 'General case' 0 CA--C 1.532 0.26 0 N-CA-C 109.955 -0.387 . . . . 0.0 109.955 -178.484 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 15.5 p -139.01 3.46 2.21 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-O 120.706 0.289 . . . . 0.0 110.421 172.066 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 77.35 15.55 81.36 Favored Glycine 0 C--N 1.334 0.463 0 C-N-CA 121.152 -0.547 . . . . 0.0 112.993 175.401 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 72.7 t80 -64.39 107.05 1.24 Allowed 'General case' 0 C--O 1.237 0.424 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 178.22 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 14.8 m -128.23 115.76 18.84 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.288 -0.869 . . . . 0.0 109.545 -179.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -132.27 129.6 39.8 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.087 -178.181 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 82.7 m-85 -72.97 151.95 41.59 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.867 0.365 . . . . 0.0 110.86 -178.234 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 44.0 mmtt -61.88 93.7 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.638 -0.71 . . . . 0.0 112.515 -176.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 14.6 mptt -75.43 103.18 5.46 Favored 'General case' 0 C--O 1.235 0.306 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 167.758 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -66.42 112.64 4.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.631 -179.529 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.474 ' HB3' ' HE2' ' A' ' 51' ' ' LYS . 42.0 mtpt -134.21 164.54 27.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.567 179.498 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 29.5 mtpp -123.63 155.85 36.93 Favored 'General case' 0 C--O 1.238 0.478 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.638 177.282 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 32.0 t -83.69 155.72 22.99 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.865 -0.42 . . . . 0.0 109.865 178.572 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 11.5 ptmm? -64.44 152.22 42.16 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.065 -179.622 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 20.3 m . . . . . 0 C--O 1.245 0.851 0 CA-C-N 115.967 -0.561 . . . . 0.0 109.494 174.503 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.2 ptp . . . . . 0 N--CA 1.48 1.053 0 CA-C-O 120.882 0.372 . . . . 0.0 110.495 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 22.8 tt0 -157.0 128.85 7.16 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.032 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 39.4 ttmt -157.33 149.21 22.39 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.519 -0.549 . . . . 0.0 109.519 179.294 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.5 79.89 0.57 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.313 0.578 . . . . 0.0 110.783 -178.734 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -84.53 4.91 29.77 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.392 178.159 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 82.9 mt -80.45 -13.63 58.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.952 -177.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 61.1 m-85 63.3 -169.0 0.19 Allowed 'General case' 0 C--O 1.237 0.4 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.307 178.645 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -104.79 147.54 27.6 Favored 'General case' 0 C--O 1.237 0.423 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.653 -179.604 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 26.7 pt -79.73 172.59 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.417 -176.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -104.16 -170.81 1.83 Allowed 'General case' 0 C--O 1.235 0.334 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.8 -179.415 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -97.78 147.23 24.6 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-O 120.777 0.322 . . . . 0.0 110.877 179.657 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -93.28 -174.46 40.5 Favored Glycine 0 N--CA 1.451 -0.326 0 N-CA-C 111.404 -0.678 . . . . 0.0 111.404 174.058 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -112.11 -27.9 8.19 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.068 0.461 . . . . 0.0 110.233 176.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.426 HD12 ' O ' ' A' ' 14' ' ' LEU . 3.2 pp -71.05 150.53 45.48 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.01 174.206 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 16.2 m -103.92 76.65 0.48 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.336 0 CA-C-O 121.578 0.704 . . . . 0.0 111.697 -176.418 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.46 ' HB3' ' H ' ' A' ' 17' ' ' LYS . 80.9 mtt85 57.08 -157.5 0.28 Allowed 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 114.958 -1.019 . . . . 0.0 113.13 170.82 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.46 ' H ' ' HB3' ' A' ' 16' ' ' ARG . 22.0 tptm -83.43 25.0 0.78 Allowed 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 123.288 0.635 . . . . 0.0 112.211 -167.219 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 67.1 m-70 64.69 -175.66 0.17 Allowed 'General case' 0 N--CA 1.469 0.492 0 CA-C-O 120.942 0.401 . . . . 0.0 111.434 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 72.2 mtt85 -126.49 152.88 45.87 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.865 -178.523 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 62.7 m-85 -119.15 -179.66 3.9 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.963 -179.104 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.455 ' SG ' ' HD2' ' A' ' 22' ' ' PRO . 49.3 t -78.09 140.8 62.06 Favored Pre-proline 0 N--CA 1.463 0.221 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 178.093 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.455 ' HD2' ' SG ' ' A' ' 21' ' ' CYS . 52.0 Cg_exo -51.52 -71.48 0.04 OUTLIER 'Trans proline' 0 C--N 1.348 0.551 0 C-N-CA 122.32 2.013 . . . . 0.0 112.776 -176.321 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 79.4 mtm-85 -76.56 -38.43 55.0 Favored 'General case' 0 CA--C 1.532 0.265 0 N-CA-C 112.319 0.489 . . . . 0.0 112.319 -171.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.42 ' HB3' ' HB ' ' A' ' 28' ' ' VAL . 4.3 m -80.92 -3.67 52.27 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 120.908 -0.317 . . . . 0.0 110.97 -179.876 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -42.05 -58.18 3.32 Favored Glycine 0 C--N 1.339 0.72 0 O-C-N 123.492 0.495 . . . . 0.0 113.399 -173.282 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_exo -60.29 88.57 0.08 OUTLIER 'Trans proline' 0 CA--C 1.532 0.394 0 C-N-CA 122.263 1.976 . . . . 0.0 111.686 173.441 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 115.64 -25.13 9.84 Favored Glycine 0 CA--C 1.522 0.481 0 CA-C-N 116.028 -0.533 . . . . 0.0 113.518 175.004 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.42 ' HB ' ' HB3' ' A' ' 24' ' ' CYS . 39.9 t -128.13 120.07 52.56 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.438 0 CA-C-N 117.52 0.66 . . . . 0.0 110.942 -177.405 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 48.4 p90 -76.25 -174.49 2.82 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.52 177.549 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 34.7 tp -118.91 119.99 35.98 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 175.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -66.09 90.24 0.14 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.25 0.548 . . . . 0.0 110.938 -176.227 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -77.84 102.26 7.16 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.512 178.728 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 67.4 m-70 -106.38 153.58 22.03 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.195 -0.668 . . . . 0.0 109.195 175.339 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.57 -24.0 63.37 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 120.849 0.357 . . . . 0.0 111.029 -179.74 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -82.62 -40.93 20.13 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.89 177.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.482 ' CB ' ' HA ' ' A' ' 47' ' ' PHE . 16.2 ptt180 -179.15 173.23 1.17 Allowed 'General case' 0 C--O 1.233 0.209 0 CA-C-O 121.09 0.472 . . . . 0.0 111.442 -173.695 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 41.0 m-85 -98.17 138.55 35.28 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.423 -0.808 . . . . 0.0 109.392 175.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 22.0 p -135.4 151.68 50.69 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.958 0.408 . . . . 0.0 110.584 178.433 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.482 ' SG ' ' HB3' ' A' ' 41' ' ' ARG . 48.8 t -134.84 88.3 2.42 Favored 'General case' 0 C--O 1.239 0.535 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.582 177.787 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -65.18 72.2 0.08 OUTLIER Glycine 0 C--N 1.333 0.405 0 N-CA-C 111.462 -0.655 . . . . 0.0 111.462 172.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.482 ' HB3' ' SG ' ' A' ' 39' ' ' CYS . 25.8 tpt180 -168.95 -38.66 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 -174.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 29.1 p -136.98 -2.08 2.12 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.308 176.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 77.64 28.7 56.78 Favored Glycine 0 C--N 1.334 0.445 0 C-N-CA 120.849 -0.691 . . . . 0.0 112.412 178.629 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 69.3 t80 -86.98 109.04 19.11 Favored 'General case' 0 C--O 1.236 0.386 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 176.585 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 39.1 m -130.74 134.59 47.02 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.808 179.695 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.415 ' O ' ' HB2' ' A' ' 36' ' ' ARG . 10.6 tp10 -142.68 133.43 25.38 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.913 -0.403 . . . . 0.0 109.913 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.482 ' HA ' ' CB ' ' A' ' 36' ' ' ARG . 93.0 m-85 -72.87 151.96 41.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.036 0.446 . . . . 0.0 111.749 -175.731 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 43.3 mmtt -68.92 123.58 21.39 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 115.613 -0.722 . . . . 0.0 111.578 -179.185 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 12.7 mptt -92.13 -169.67 2.31 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.613 -0.721 . . . . 0.0 109.267 171.08 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -74.99 8.7 2.35 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-O 120.766 0.317 . . . . 0.0 111.113 176.792 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.501 ' HE2' ' HB2' ' A' ' 51' ' ' LYS . 21.5 ttmm -53.93 99.16 0.02 OUTLIER 'General case' 0 C--O 1.233 0.216 0 C-N-CA 123.297 0.639 . . . . 0.0 110.792 178.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 58.0 tptt -170.93 146.76 2.56 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.783 -0.19 . . . . 0.0 110.872 -175.716 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 28.5 t 74.47 100.36 0.07 Allowed 'General case' 0 CA--C 1.534 0.337 0 O-C-N 123.884 0.74 . . . . 0.0 112.332 171.713 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 60.6 tttm 63.59 162.71 0.11 Allowed 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 115.486 -0.779 . . . . 0.0 112.364 172.183 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 24.3 t . . . . . 0 C--O 1.252 1.216 0 N-CA-C 108.725 -0.843 . . . . 0.0 108.725 173.101 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.9 mtt . . . . . 0 N--CA 1.484 1.272 0 CA-C-O 120.849 0.356 . . . . 0.0 110.566 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 -134.7 146.43 49.45 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.753 -178.65 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -107.19 156.9 18.34 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.845 0.355 . . . . 0.0 110.724 -179.243 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 2.2 tpm_? -76.36 96.97 4.12 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 173.659 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -103.43 -76.76 0.58 Allowed 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 112.054 0.391 . . . . 0.0 112.054 -170.033 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 90.1 mt -82.14 95.41 7.49 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.902 -173.413 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 52.1 m-85 -59.82 133.39 56.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.866 175.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -55.65 142.42 34.05 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.36 -176.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 24.8 pt -85.79 114.39 25.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 121.078 0.466 . . . . 0.0 110.109 176.761 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -89.74 85.44 6.43 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.99 -175.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -157.85 154.43 27.98 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.015 -0.539 . . . . 0.0 109.818 177.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 126.64 49.06 0.18 Allowed Glycine 0 N--CA 1.454 -0.157 0 N-CA-C 111.544 -0.622 . . . . 0.0 111.544 -178.104 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 48.5 mtmt -107.23 104.05 13.57 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 122.474 0.31 . . . . 0.0 110.653 -177.353 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 67.1 mt 58.76 46.65 13.91 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.821 176.627 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 88.5 t -63.77 132.78 29.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.949 -179.534 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 21.2 tpt180 -65.59 96.75 0.28 Allowed 'General case' 0 CA--C 1.532 0.257 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 174.184 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -108.35 122.12 46.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.963 0.411 . . . . 0.0 111.487 -174.21 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 4.5 m170 -120.08 178.42 4.63 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 108.874 -0.788 . . . . 0.0 108.874 169.8 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 9.1 mtm180 -79.31 139.11 37.92 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.237 0.541 . . . . 0.0 112.103 -174.735 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -108.64 -179.68 3.94 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 115.359 -0.837 . . . . 0.0 109.961 177.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.652 ' SG ' ' HD2' ' A' ' 22' ' ' PRO . 44.5 t -101.55 143.18 26.09 Favored Pre-proline 0 C--N 1.33 -0.256 0 N-CA-C 110.133 -0.321 . . . . 0.0 110.133 179.091 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.652 ' HD2' ' SG ' ' A' ' 21' ' ' CYS . 18.2 Cg_endo -58.73 -48.93 13.0 Favored 'Trans proline' 0 C--N 1.35 0.657 0 C-N-CA 122.266 1.978 . . . . 0.0 112.718 -175.094 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 30.3 mmt180 -88.02 -60.17 2.04 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-O 120.768 0.318 . . . . 0.0 110.98 -176.131 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.8 m -71.5 -1.25 12.67 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 111.778 0.288 . . . . 0.0 111.778 -175.612 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -34.26 -67.07 0.26 Allowed Glycine 0 C--N 1.342 0.875 0 O-C-N 123.622 0.576 . . . . 0.0 114.363 -172.682 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -55.6 95.98 0.05 OUTLIER 'Trans proline' 0 C--O 1.238 0.504 0 C-N-CA 122.382 2.054 . . . . 0.0 112.087 178.2 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 106.02 -24.31 26.9 Favored Glycine 0 C--N 1.331 0.259 0 CA-C-N 116.067 -0.515 . . . . 0.0 112.891 176.594 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 19.3 t -126.77 98.72 4.95 Favored 'Isoleucine or valine' 0 C--O 1.239 0.523 0 CA-C-N 117.032 0.416 . . . . 0.0 110.732 -177.6 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 48.4 p90 -72.81 174.48 7.64 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.232 177.327 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.416 HD23 ' HB3' ' A' ' 37' ' ' TYR . 51.9 tp -94.99 118.75 32.34 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 177.723 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.99 88.11 0.01 OUTLIER 'General case' 0 C--O 1.234 0.274 0 CA-C-O 121.324 0.583 . . . . 0.0 110.071 178.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -82.19 111.96 18.77 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.197 -0.91 . . . . 0.0 110.397 -176.352 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.424 ' O ' ' HE3' ' A' ' 48' ' ' LYS . 90.1 m-70 -118.0 156.49 28.46 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.046 179.109 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.2 -26.84 68.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.137 0.494 . . . . 0.0 110.717 177.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -80.87 -36.64 31.08 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.432 179.049 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 6.1 ptp180 -177.06 -178.2 0.8 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.16 0.505 . . . . 0.0 111.193 -167.554 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.416 ' HB3' HD23 ' A' ' 30' ' ' LEU . 47.1 m-85 -113.83 139.4 49.18 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.563 -0.903 . . . . 0.0 108.563 174.211 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.409 ' O ' HD12 ' A' ' 30' ' ' LEU . 46.9 t -137.58 156.19 48.36 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.663 0.268 . . . . 0.0 110.385 -178.225 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.615 ' SG ' ' O ' ' A' ' 40' ' ' GLY . 53.4 t -149.17 124.84 10.44 Favored 'General case' 0 CA--C 1.514 -0.43 0 N-CA-C 111.815 0.302 . . . . 0.0 111.815 178.18 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.615 ' O ' ' SG ' ' A' ' 39' ' ' CYS . . . -66.08 178.54 12.82 Favored Glycine 0 N--CA 1.447 -0.576 0 N-CA-C 110.004 -1.238 . . . . 0.0 110.004 162.685 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.509 ' HB2' ' O ' ' A' ' 40' ' ' GLY . 9.4 mmt180 76.56 -48.2 0.55 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 117.238 0.519 . . . . 0.0 111.587 177.598 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 20.9 p -125.13 -13.67 6.72 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 119.922 -0.711 . . . . 0.0 112.061 179.801 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 76.19 19.56 78.32 Favored Glycine 0 C--N 1.333 0.363 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.676 178.185 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 71.6 t80 -61.07 126.53 27.71 Favored 'General case' 0 C--O 1.234 0.278 0 N-CA-C 109.887 -0.412 . . . . 0.0 109.887 179.755 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 5.7 m -134.15 140.64 46.68 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.955 -177.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -150.84 105.98 3.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.177 -179.488 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.79 ' HB2' ' HB3' ' A' ' 50' ' ' ALA . 72.4 m-85 -67.54 136.81 55.1 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 110.28 -0.267 . . . . 0.0 110.28 178.239 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.424 ' HE3' ' O ' ' A' ' 33' ' ' HIS . 74.2 mttt -66.32 -31.47 72.28 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.324 -179.665 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 54.8 mtpt -103.18 30.81 4.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.02 0.438 . . . . 0.0 110.731 179.243 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.79 ' HB3' ' HB2' ' A' ' 47' ' ' PHE . . . -96.24 14.52 23.84 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.723 176.331 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 2.6 mmpm? -83.5 -86.25 0.11 Allowed 'General case' 0 C--O 1.236 0.379 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 177.57 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 30.0 mmtp -156.13 71.03 0.71 Allowed 'General case' 0 C--O 1.233 0.224 0 C-N-CA 123.15 0.58 . . . . 0.0 109.486 177.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 18.7 m -61.82 103.75 0.38 Allowed 'General case' 0 C--O 1.236 0.392 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.024 178.671 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 23.3 tptm -75.66 118.33 18.38 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.639 -174.347 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 5.1 p . . . . . 0 C--O 1.252 1.195 0 CA-C-O 118.705 -0.664 . . . . 0.0 110.535 177.908 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.481 ' SD ' ' N ' ' A' ' 1' ' ' MET . 1.1 mpt? . . . . . 0 N--CA 1.48 1.053 0 CA-C-O 120.603 0.239 . . . . 0.0 110.498 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -125.49 124.93 42.44 Favored 'General case' 0 C--O 1.233 0.224 0 C-N-CA 122.604 0.362 . . . . 0.0 110.186 178.746 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 55.0 mtmt -139.87 11.74 2.45 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.215 -177.675 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 7.8 mpt_? -88.63 144.53 26.24 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.83 0.348 . . . . 0.0 111.135 -178.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.412 ' HA ' ' CE2' ' A' ' 7' ' ' TYR . 42.8 mt-10 68.58 25.95 6.5 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 115.373 -0.831 . . . . 0.0 112.463 174.455 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 85.5 mt -78.8 77.86 5.26 Favored 'General case' 0 CA--C 1.534 0.327 0 CA-C-O 120.99 0.424 . . . . 0.0 110.248 175.788 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.412 ' CE2' ' HA ' ' A' ' 5' ' ' GLU . 10.1 p90 -146.17 171.06 15.48 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.371 178.828 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -72.43 131.61 42.8 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.029 177.773 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 65.2 mt -62.72 140.19 19.91 Favored 'Isoleucine or valine' 0 C--O 1.235 0.298 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.393 178.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.13 106.66 0.21 Allowed 'General case' 0 C--O 1.236 0.391 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.288 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -129.91 127.35 39.97 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.084 178.614 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -74.52 94.07 0.83 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 121.307 -0.473 . . . . 0.0 111.958 -179.598 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.46 ' HE3' ' HA ' ' A' ' 13' ' ' LYS . 0.4 OUTLIER -113.56 147.12 38.58 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 -179.571 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.9 tt -78.06 119.96 22.22 Favored 'General case' 0 C--O 1.235 0.333 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 178.721 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 28.9 m -60.08 145.24 12.04 Favored 'Isoleucine or valine' 0 C--O 1.235 0.32 0 CA-C-O 121.037 0.446 . . . . 0.0 111.108 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 52.4 mtt180 -127.66 161.93 27.74 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.145 -0.48 . . . . 0.0 109.932 -176.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -71.92 92.77 1.29 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.141 0.496 . . . . 0.0 111.552 -171.583 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 12.0 m170 -79.02 83.5 5.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.624 174.497 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 67.4 mtt-85 -73.65 165.69 24.64 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.305 0.574 . . . . 0.0 110.986 178.685 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 58.0 m-85 -96.31 178.34 5.41 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.299 -0.864 . . . . 0.0 109.17 176.316 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 48.6 t -82.31 133.59 50.18 Favored Pre-proline 0 C--N 1.321 -0.638 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 179.372 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -43.35 -60.76 0.68 Allowed 'Trans proline' 0 C--N 1.349 0.604 0 C-N-CA 122.753 2.302 . . . . 0.0 113.235 -171.494 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 54.2 mtm180 -87.57 -35.56 18.04 Favored 'General case' 0 CA--C 1.532 0.273 0 N-CA-C 112.448 0.536 . . . . 0.0 112.448 -174.608 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.522 ' HB3' ' HB ' ' A' ' 28' ' ' VAL . 4.3 m -83.54 -1.39 53.63 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 120.735 -0.386 . . . . 0.0 111.111 -178.882 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -42.2 -56.15 4.06 Favored Glycine 0 CA--C 1.523 0.534 0 O-C-N 123.524 0.515 . . . . 0.0 114.273 -173.059 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 48.3 Cg_endo -68.78 76.71 0.79 Allowed 'Trans proline' 0 CA--C 1.534 0.519 0 C-N-CA 122.34 2.026 . . . . 0.0 112.179 177.288 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 131.35 -25.49 4.04 Favored Glycine 0 C--N 1.333 0.402 0 CA-C-N 116.131 -0.486 . . . . 0.0 113.192 174.645 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.522 ' HB ' ' HB3' ' A' ' 24' ' ' CYS . 39.7 t -129.51 114.72 32.12 Favored 'Isoleucine or valine' 0 C--O 1.237 0.423 0 CA-C-N 117.114 0.457 . . . . 0.0 110.564 -179.428 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 20.2 p90 -72.92 -167.06 0.35 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.075 -179.444 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 33.7 tp -132.42 105.84 7.52 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 177.307 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.66 115.62 4.11 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.4 -175.245 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -88.19 125.35 34.58 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-O 121.183 0.516 . . . . 0.0 111.131 179.245 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 57.5 m-70 -124.31 151.74 43.91 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 107.917 -1.142 . . . . 0.0 107.917 169.349 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.02 -22.65 61.02 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.204 0.526 . . . . 0.0 110.227 179.177 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -81.56 -43.23 18.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.193 -0.912 . . . . 0.0 110.886 179.394 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 32.2 ptt180 -173.48 -179.9 1.97 Allowed 'General case' 0 CA--C 1.531 0.22 0 CA-C-O 121.241 0.543 . . . . 0.0 111.827 -167.715 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 82.1 m-85 -104.66 147.18 27.94 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 115.059 -0.973 . . . . 0.0 109.016 173.165 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 24.0 t -134.45 140.44 46.25 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-O 120.786 0.327 . . . . 0.0 110.8 -179.38 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.607 ' SG ' ' O ' ' A' ' 40' ' ' GLY . 42.6 t -139.42 125.87 20.37 Favored 'General case' 0 CA--C 1.514 -0.414 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.651 177.464 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.607 ' O ' ' SG ' ' A' ' 39' ' ' CYS . . . -70.47 176.91 34.25 Favored Glycine 0 N--CA 1.444 -0.814 0 N-CA-C 110.12 -1.192 . . . . 0.0 110.12 164.165 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.419 ' HB3' ' O ' ' A' ' 40' ' ' GLY . 35.4 ttt85 76.09 -44.21 0.49 Allowed 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 122.936 0.494 . . . . 0.0 112.168 175.097 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.491 ' SG ' ' HB2' ' A' ' 44' ' ' TYR . 9.6 p -127.66 -6.04 5.75 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 119.656 -0.818 . . . . 0.0 111.957 177.106 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 70.46 22.69 77.81 Favored Glycine 0 C--N 1.334 0.438 0 C-N-CA 120.435 -0.888 . . . . 0.0 112.292 174.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.491 ' HB2' ' SG ' ' A' ' 42' ' ' CYS . 62.3 t80 -59.12 104.92 0.28 Allowed 'General case' 0 C--O 1.236 0.383 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 177.036 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 6.1 m -125.99 108.39 11.35 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.123 -179.748 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -134.06 127.29 31.92 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.288 -177.181 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.493 ' C ' ' H ' ' A' ' 49' ' ' LYS . 70.2 m-85 -61.44 156.93 18.07 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.758 -177.1 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 54.0 mmtt -70.61 20.68 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.692 174.691 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.493 ' H ' ' C ' ' A' ' 47' ' ' PHE . 38.5 ttmt -71.95 92.51 1.28 Allowed 'General case' 0 C--O 1.234 0.279 0 C-N-CA 122.75 0.42 . . . . 0.0 109.876 179.407 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -67.74 100.6 0.94 Allowed 'General case' 0 C--O 1.235 0.304 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.078 -178.224 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 22.1 mtpp -127.14 -41.34 1.78 Allowed 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.843 176.471 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 61.6 tttm -109.93 116.46 31.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.784 177.301 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 35.7 t 69.8 173.35 0.3 Allowed 'General case' 0 CA--C 1.535 0.375 0 O-C-N 123.649 0.593 . . . . 0.0 110.833 179.684 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 44.3 mtmt -86.61 -49.0 7.84 Favored 'General case' 0 C--O 1.238 0.492 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 176.674 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 23.3 p . . . . . 0 C--O 1.251 1.155 0 CA-C-N 114.579 -1.192 . . . . 0.0 108.792 176.928 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 . . . . . 0 N--CA 1.463 0.208 0 CA-C-O 121.318 0.58 . . . . 0.0 111.514 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.427 ' O ' ' N ' ' A' ' 25' ' ' GLY . 43.9 t -87.93 118.46 69.69 Favored Pre-proline 0 C--N 1.327 -0.409 0 N-CA-C 108.566 -0.902 . . . . 0.0 108.566 175.911 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_exo -37.38 -58.43 0.59 Allowed 'Trans proline' 0 C--N 1.349 0.567 0 C-N-CA 123.574 2.849 . . . . 0.0 114.092 -165.404 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 41.8 mtm180 -86.39 -29.89 22.56 Favored 'General case' 0 CA--C 1.534 0.334 0 N-CA-C 112.244 0.461 . . . . 0.0 112.244 -173.509 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.551 ' HB3' ' HB ' ' A' ' 28' ' ' VAL . 8.2 m -89.47 -6.32 56.56 Favored 'General case' 0 N--CA 1.473 0.716 0 O-C-N 122.313 -0.242 . . . . 0.0 111.145 -179.11 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.427 ' N ' ' O ' ' A' ' 21' ' ' CYS . . . -40.81 -65.95 0.96 Allowed Glycine 0 C--N 1.336 0.546 0 O-C-N 123.73 0.644 . . . . 0.0 113.693 -169.511 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_exo -65.77 90.79 0.24 Allowed 'Trans proline' 0 C--O 1.235 0.365 0 C-N-CA 122.292 1.995 . . . . 0.0 111.326 175.538 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 124.65 -24.77 6.04 Favored Glycine 0 C--N 1.329 0.163 0 CA-C-N 116.133 -0.485 . . . . 0.0 112.513 177.149 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.551 ' HB ' ' HB3' ' A' ' 24' ' ' CYS . 25.3 t -136.22 98.96 1.95 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.503 0 CA-C-O 120.751 0.31 . . . . 0.0 110.524 178.67 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 17.2 p90 -64.17 160.76 17.7 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.169 -0.469 . . . . 0.0 109.895 175.293 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.683 ' HG ' ' HB3' ' A' ' 37' ' ' TYR . 26.7 tp -93.43 111.36 23.01 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 108.376 -0.972 . . . . 0.0 108.376 176.13 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.465 ' O ' ' HA ' ' A' ' 37' ' ' TYR . . . -52.26 92.33 0.01 OUTLIER 'General case' 0 C--O 1.235 0.305 0 O-C-N 123.513 0.508 . . . . 0.0 111.42 -174.144 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 44.9 tt0 -78.24 107.16 10.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.718 -179.202 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 90.9 m-70 -102.92 160.96 14.14 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.329 -0.85 . . . . 0.0 109.451 173.481 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.3 -27.22 54.76 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.183 0.438 . . . . 0.0 112.183 -175.849 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -110.44 -15.91 13.81 Favored 'General case' 0 CA--C 1.532 0.258 0 N-CA-C 112.189 0.44 . . . . 0.0 112.189 -175.039 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 34.6 ptt-85 -171.0 -169.69 0.78 Allowed 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 120.472 -0.491 . . . . 0.0 111.894 -173.865 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.683 ' HB3' ' HG ' ' A' ' 30' ' ' LEU . 51.7 m-85 -131.24 160.31 35.25 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 124.16 0.984 . . . . 0.0 108.628 179.069 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 9.6 t -157.26 162.3 39.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.785 0.326 . . . . 0.0 110.378 173.036 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 37.0 t -134.71 90.97 2.71 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.642 -177.786 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -66.01 78.55 0.11 Allowed Glycine 0 C--N 1.332 0.337 0 N-CA-C 111.579 -0.609 . . . . 0.0 111.579 173.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 8.2 tpt180 -176.94 -51.28 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 -176.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.4 ' SG ' ' HB2' ' A' ' 44' ' ' TYR . 14.3 p -127.26 4.82 6.34 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.668 178.612 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 77.25 12.37 84.66 Favored Glycine 0 C--N 1.335 0.527 0 C-N-CA 121.01 -0.614 . . . . 0.0 113.207 175.124 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.4 ' HB2' ' SG ' ' A' ' 42' ' ' CYS . 51.3 t80 -69.91 111.25 5.5 Favored 'General case' 0 C--O 1.236 0.384 0 N-CA-C 109.67 -0.492 . . . . 0.0 109.67 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.447 HG23 ' O ' ' A' ' 37' ' ' TYR . 98.9 m -124.53 135.91 53.56 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.682 179.147 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -141.8 147.23 36.94 Favored 'General case' 0 C--O 1.22 -0.497 0 N-CA-C 108.608 -0.886 . . . . 0.0 108.608 -177.841 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -96.03 153.0 18.01 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 118.176 0.444 . . . . 0.0 111.625 -176.148 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 67.9 mmtt . . . . . 0 C--O 1.234 0.279 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 171.212 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 75.7 m-85 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.703 0.287 . . . . 0.0 110.361 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.403 ' O ' ' N ' ' A' ' 25' ' ' GLY . 42.6 t -71.0 125.44 92.01 Favored Pre-proline 0 C--N 1.328 -0.361 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 -179.693 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -44.63 -46.64 12.16 Favored 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 122.785 2.323 . . . . 0.0 113.407 -171.87 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 29.6 mmt85 -87.7 -44.59 11.06 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 112.021 -175.711 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.471 ' HB3' ' HB ' ' A' ' 28' ' ' VAL . 5.6 m -87.63 -0.76 57.32 Favored 'General case' 0 N--CA 1.473 0.724 0 N-CA-C 111.828 0.307 . . . . 0.0 111.828 -175.185 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 21' ' ' CYS . . . -38.28 -62.04 1.14 Allowed Glycine 0 N--CA 1.464 0.54 0 O-C-N 123.607 0.567 . . . . 0.0 114.23 -171.673 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 26.8 Cg_exo -63.09 81.63 0.11 Allowed 'Trans proline' 0 CA--C 1.534 0.504 0 C-N-CA 122.577 2.184 . . . . 0.0 112.218 177.577 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 125.59 -24.84 5.75 Favored Glycine 0 CA--C 1.519 0.34 0 C-N-CA 121.35 -0.452 . . . . 0.0 112.954 176.41 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.471 ' HB ' ' HB3' ' A' ' 24' ' ' CYS . 43.0 t -132.76 109.67 14.74 Favored 'Isoleucine or valine' 0 C--O 1.238 0.49 0 CA-C-O 121.019 0.438 . . . . 0.0 111.016 -178.851 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 31.8 p90 -71.12 -171.94 0.63 Allowed 'General case' 0 C--O 1.236 0.358 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.979 177.13 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 36.4 tp -110.23 113.85 26.85 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 176.58 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.91 112.82 3.09 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-O 120.865 0.364 . . . . 0.0 110.73 -176.316 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -90.65 116.76 28.78 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.577 -179.051 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 66.0 m-70 -112.34 152.58 28.4 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 175.02 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -53.83 -31.48 49.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.868 0.366 . . . . 0.0 111.675 -176.42 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 28.9 m-20 -89.69 -34.82 16.11 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.79 -178.038 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 13.0 ptp180 -167.54 171.42 10.36 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 121.121 0.486 . . . . 0.0 111.551 -169.083 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 88.2 m-85 -98.34 153.09 18.79 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.714 -0.676 . . . . 0.0 109.235 173.078 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.454 ' HA ' ' HA ' ' A' ' 45' ' ' THR . 22.1 t -152.96 163.01 40.62 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.083 0.468 . . . . 0.0 110.523 178.667 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 35.1 t -138.97 91.19 2.5 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.017 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -65.72 75.64 0.11 Allowed Glycine 0 N--CA 1.451 -0.318 0 O-C-N 123.628 0.58 . . . . 0.0 111.944 175.761 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 11.8 tpt180 -171.45 -54.43 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.338 -0.615 . . . . 0.0 109.338 -179.034 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 25.4 p -114.59 -7.51 12.77 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.743 176.539 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 83.75 21.24 58.21 Favored Glycine 0 C--N 1.336 0.577 0 C-N-CA 121.036 -0.602 . . . . 0.0 113.034 178.074 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 62.5 t80 -71.89 102.92 3.02 Favored 'General case' 0 C--O 1.235 0.305 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 175.131 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.454 ' HA ' ' HA ' ' A' ' 38' ' ' SER . 53.7 m -128.93 114.05 15.97 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.818 -177.598 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -134.54 138.59 44.76 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.054 -0.521 . . . . 0.0 109.772 -174.395 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -63.38 157.49 22.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.536 -175.903 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 38.1 mmtt . . . . . 0 CA--C 1.533 0.293 0 CA-C-O 121.282 0.563 . . . . 0.0 110.177 172.953 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 85.5 m-85 . . . . . 0 N--CA 1.456 -0.171 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 43.3 t -69.64 122.8 86.98 Favored Pre-proline 0 C--N 1.324 -0.518 0 N-CA-C 109.708 -0.478 . . . . 0.0 109.708 -179.338 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -33.95 -46.9 0.47 Allowed 'Trans proline' 0 C--N 1.352 0.747 0 C-N-CA 124.004 3.136 . . . . 0.0 114.136 -171.528 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 23.7 mmm-85 -97.45 -48.91 5.1 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.905 -173.415 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 2.4 m -81.09 -0.4 39.83 Favored 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 111.536 0.198 . . . . 0.0 111.536 -176.078 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -37.05 -61.81 0.91 Allowed Glycine 0 C--N 1.339 0.717 0 O-C-N 123.549 0.531 . . . . 0.0 113.993 -174.091 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 22.9 Cg_exo -64.61 81.83 0.17 Allowed 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.503 2.135 . . . . 0.0 112.01 176.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 128.72 -25.76 4.66 Favored Glycine 0 C--N 1.33 0.203 0 CA-C-N 116.038 -0.528 . . . . 0.0 112.585 176.067 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 31.9 t -133.5 98.5 2.71 Favored 'Isoleucine or valine' 0 C--O 1.239 0.508 0 CA-C-O 120.959 0.409 . . . . 0.0 110.141 178.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 50.2 p90 -68.9 173.78 5.04 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.432 177.029 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.79 ' HG ' ' HB3' ' A' ' 37' ' ' TYR . 20.5 tp -94.84 101.42 13.23 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 178.245 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -54.81 111.42 0.82 Allowed 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.398 -174.704 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 51.4 tt0 -84.45 124.68 31.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.051 -177.393 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 74.6 m-70 -128.17 155.77 43.96 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 108.691 -0.855 . . . . 0.0 108.691 172.903 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.83 -27.57 66.74 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 120.885 0.374 . . . . 0.0 111.193 -177.269 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -80.43 -39.42 28.27 Favored 'General case' 0 C--O 1.238 0.499 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.752 178.386 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 34.7 ptt180 -175.92 171.63 2.59 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.119 -170.628 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.79 ' HB3' ' HG ' ' A' ' 30' ' ' LEU . 52.9 m-85 -98.23 149.51 22.49 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.261 -1.015 . . . . 0.0 108.261 169.577 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 7.9 t -151.94 163.04 40.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.839 0.352 . . . . 0.0 110.558 177.479 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 23.4 t -130.05 118.81 22.12 Favored 'General case' 0 CA--C 1.511 -0.546 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.499 -175.638 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.562 ' O ' ' HB2' ' A' ' 41' ' ' ARG . . . -60.44 157.12 29.52 Favored Glycine 0 N--CA 1.444 -0.832 0 C-N-CA 120.282 -0.961 . . . . 0.0 110.919 169.026 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.562 ' HB2' ' O ' ' A' ' 40' ' ' GLY . 9.8 mpt_? 84.27 -51.83 0.12 Allowed 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 123.862 0.865 . . . . 0.0 111.966 177.149 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 1.8 p -116.98 -7.08 11.4 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-N 119.311 0.96 . . . . 0.0 112.02 -178.177 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 69.78 19.9 75.46 Favored Glycine 0 C--N 1.332 0.334 0 C-N-CA 120.923 -0.656 . . . . 0.0 113.419 174.596 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 84.6 t80 -62.59 117.31 6.06 Favored 'General case' 0 C--O 1.232 0.174 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 175.607 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 70.8 m -121.14 144.85 48.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 123.407 0.442 . . . . 0.0 110.852 -177.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -145.39 114.13 6.83 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 179.328 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -66.96 149.5 50.54 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 112.616 0.598 . . . . 0.0 112.616 -171.874 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 31.6 mmtt . . . . . 0 N--CA 1.466 0.344 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.037 179.595 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 77.3 m-85 . . . . . 0 C--O 1.231 0.131 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.431 ' HB2' HD13 ' A' ' 30' ' ' LEU . 34.3 t -82.29 119.94 75.96 Favored Pre-proline 0 C--N 1.328 -0.328 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 -179.665 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_exo -41.95 -58.11 1.29 Allowed 'Trans proline' 0 C--N 1.349 0.575 0 C-N-CA 123.008 2.472 . . . . 0.0 113.469 -169.694 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 60.5 mtm180 -82.58 -35.59 26.99 Favored 'General case' 0 CA--C 1.533 0.327 0 N-CA-C 112.53 0.567 . . . . 0.0 112.53 -173.381 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 9.3 m -86.39 -5.12 59.24 Favored 'General case' 0 N--CA 1.473 0.722 0 O-C-N 122.224 -0.297 . . . . 0.0 111.009 -179.241 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 21' ' ' CYS . . . -43.98 -63.83 2.15 Favored Glycine 0 C--N 1.335 0.51 0 O-C-N 123.569 0.543 . . . . 0.0 114.122 -170.434 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_endo -61.68 81.81 0.09 OUTLIER 'Trans proline' 0 CA--C 1.531 0.375 0 C-N-CA 122.435 2.09 . . . . 0.0 112.148 179.487 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 126.94 -25.11 5.32 Favored Glycine 0 CA--C 1.518 0.249 0 CA-C-N 115.93 -0.577 . . . . 0.0 112.61 177.385 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 22.0 t -126.68 100.13 6.26 Favored 'Isoleucine or valine' 0 C--O 1.237 0.416 0 CA-C-O 120.871 0.367 . . . . 0.0 110.687 -179.07 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 49.0 p90 -64.82 159.17 23.12 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.881 175.054 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.552 ' HG ' ' HB3' ' A' ' 37' ' ' TYR . 23.2 tp -91.75 117.89 30.18 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 179.502 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.38 101.82 0.12 Allowed 'General case' 0 C--O 1.235 0.291 0 CA-C-O 120.982 0.42 . . . . 0.0 110.988 -176.297 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -85.1 115.97 23.2 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.188 -177.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 19.0 m80 -113.05 155.5 24.76 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 108.467 -0.938 . . . . 0.0 108.467 172.402 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.56 -28.65 63.74 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-O 120.819 0.342 . . . . 0.0 111.414 -177.297 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -89.03 -33.15 17.26 Favored 'General case' 0 C--O 1.237 0.436 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.347 -178.016 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.453 ' HB2' ' O ' ' A' ' 46' ' ' GLU . 5.9 ptp180 -172.17 168.24 5.77 Favored 'General case' 0 N--CA 1.462 0.136 0 CA-C-O 121.073 0.463 . . . . 0.0 111.706 -168.473 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.552 ' HB3' ' HG ' ' A' ' 30' ' ' LEU . 95.4 m-85 -97.96 153.13 18.57 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.238 170.853 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 10.3 t -146.39 159.24 43.64 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.724 -0.472 . . . . 0.0 109.724 175.754 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.598 ' SG ' ' HB3' ' A' ' 41' ' ' ARG . 38.8 t -133.92 91.32 2.81 Favored 'General case' 0 C--O 1.236 0.377 0 N-CA-C 111.989 0.366 . . . . 0.0 111.989 -178.615 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -67.59 74.83 0.22 Allowed Glycine 0 C--N 1.332 0.342 0 N-CA-C 110.886 -0.886 . . . . 0.0 110.886 171.129 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.598 ' HB3' ' SG ' ' A' ' 39' ' ' CYS . 32.6 tpt180 -173.34 -37.19 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 -175.654 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 16.3 p -146.48 11.7 1.15 Allowed 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.565 174.536 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 75.6 3.5 72.57 Favored Glycine 0 C--N 1.337 0.629 0 CA-C-N 116.413 -0.358 . . . . 0.0 113.84 173.814 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 60.9 t80 -61.57 109.14 1.1 Allowed 'General case' 0 C--O 1.234 0.257 0 CA-C-N 117.254 0.527 . . . . 0.0 110.186 -178.171 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 32.9 m -126.89 119.17 26.12 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.19 -178.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.453 ' O ' ' HB2' ' A' ' 36' ' ' ARG . 26.5 tt0 -122.15 140.34 52.68 Favored 'General case' 0 C--O 1.224 -0.283 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 -178.743 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 69.1 m-85 -77.26 141.88 39.76 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 110.46 -0.2 . . . . 0.0 110.46 177.793 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 43.6 mmtt . . . . . 0 N--CA 1.466 0.329 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.602 178.435 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.465 ' HB3' ' HA2' ' A' ' 25' ' ' GLY . 46.9 m-85 . . . . . 0 C--O 1.235 0.336 0 CA-C-O 121.122 0.487 . . . . 0.0 110.644 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 45.3 t -67.52 128.37 93.57 Favored Pre-proline 0 C--N 1.324 -0.5 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.204 -178.765 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 65.4 Cg_exo -38.63 -49.68 2.51 Favored 'Trans proline' 0 C--N 1.352 0.74 0 C-N-CA 123.252 2.635 . . . . 0.0 113.696 -173.109 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 72.8 mtp180 -92.71 -52.0 4.83 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.711 -174.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.427 ' CB ' ' HB ' ' A' ' 28' ' ' VAL . 3.5 m -75.76 -0.79 22.18 Favored 'General case' 0 N--CA 1.474 0.732 0 N-CA-C 111.638 0.236 . . . . 0.0 111.638 -176.731 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.465 ' HA2' ' HB3' ' A' ' 20' ' ' PHE . . . -38.41 -64.73 0.81 Allowed Glycine 0 C--N 1.339 0.732 0 O-C-N 123.536 0.523 . . . . 0.0 114.306 -172.563 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 22.5 Cg_exo -64.23 85.14 0.15 Allowed 'Trans proline' 0 CA--C 1.534 0.493 0 C-N-CA 122.256 1.971 . . . . 0.0 111.977 178.13 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 124.48 -25.06 6.04 Favored Glycine 0 CA--C 1.517 0.165 0 C-N-CA 121.199 -0.524 . . . . 0.0 113.296 174.404 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.427 ' HB ' ' CB ' ' A' ' 24' ' ' CYS . 27.4 t -126.94 112.11 27.93 Favored 'Isoleucine or valine' 0 C--O 1.237 0.416 0 CA-C-N 117.088 0.444 . . . . 0.0 110.168 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 35.8 p90 -67.23 174.01 3.5 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.438 -179.019 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.445 ' HG ' ' HB3' ' A' ' 37' ' ' TYR . 32.7 tp -113.3 111.57 22.25 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 173.929 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.84 95.83 0.12 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.296 -175.113 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -80.35 117.29 20.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.619 178.788 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 93.3 m-70 -120.06 156.84 30.14 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 173.055 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.3 -25.02 63.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.108 0.48 . . . . 0.0 110.477 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -76.75 -45.22 29.98 Favored 'General case' 0 C--O 1.237 0.437 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.607 176.326 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.435 ' HB2' ' O ' ' A' ' 46' ' ' GLU . 16.8 ptt180 179.38 172.96 0.87 Allowed 'General case' 0 CA--C 1.529 0.165 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.229 -170.658 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.445 ' HB3' ' HG ' ' A' ' 30' ' ' LEU . 13.9 m-85 -98.31 140.62 32.32 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 108.971 -0.752 . . . . 0.0 108.971 175.295 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 8.2 t -135.97 159.73 40.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.734 0.302 . . . . 0.0 110.475 179.699 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.472 ' SG ' ' O ' ' A' ' 40' ' ' GLY . 41.9 t -143.54 121.04 11.72 Favored 'General case' 0 CA--C 1.512 -0.516 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.798 -179.596 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.472 ' O ' ' SG ' ' A' ' 39' ' ' CYS . . . -65.95 179.3 11.03 Favored Glycine 0 N--CA 1.446 -0.652 0 N-CA-C 110.076 -1.21 . . . . 0.0 110.076 163.728 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.472 ' HB2' ' O ' ' A' ' 40' ' ' GLY . 9.2 mpt_? 74.28 -46.76 0.62 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 117.182 0.491 . . . . 0.0 111.79 178.398 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.431 ' SG ' ' HB2' ' A' ' 44' ' ' TYR . 8.4 p -129.34 -5.87 4.81 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 119.759 -0.776 . . . . 0.0 112.653 179.785 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 70.76 20.12 77.24 Favored Glycine 0 C--N 1.333 0.39 0 C-N-CA 120.443 -0.884 . . . . 0.0 112.783 174.581 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.431 ' HB2' ' SG ' ' A' ' 42' ' ' CYS . 77.0 t80 -66.99 118.8 10.95 Favored 'General case' 0 C--O 1.234 0.254 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 177.435 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 35.1 m -133.52 118.79 18.73 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.517 -179.429 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.435 ' O ' ' HB2' ' A' ' 36' ' ' ARG . 9.7 tp10 -119.59 140.66 50.22 Favored 'General case' 0 C--O 1.224 -0.285 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 178.181 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -81.84 152.72 26.76 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.767 0.318 . . . . 0.0 111.511 -175.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 47.0 mmtt . . . . . 0 C--O 1.235 0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.174 175.316 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 93.8 m-85 . . . . . 0 N--CA 1.451 -0.415 0 N-CA-C 107.855 -1.165 . . . . 0.0 107.855 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 42.1 t -61.13 127.98 88.75 Favored Pre-proline 0 C--N 1.324 -0.532 0 C-N-CA 121.195 -0.202 . . . . 0.0 110.658 -174.426 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -37.9 -47.66 2.11 Favored 'Trans proline' 0 C--N 1.354 0.821 0 C-N-CA 123.569 2.846 . . . . 0.0 113.521 -173.672 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 20.9 mmt180 -97.34 -51.43 4.17 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.562 -175.652 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.48 ' HB3' ' HB ' ' A' ' 28' ' ' VAL . 5.3 m -73.15 -1.68 18.53 Favored 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 111.848 0.314 . . . . 0.0 111.848 -176.595 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -33.78 -66.4 0.27 Allowed Glycine 0 C--N 1.34 0.783 0 O-C-N 123.763 0.665 . . . . 0.0 114.678 -171.252 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_exo -56.57 93.14 0.05 OUTLIER 'Trans proline' 0 C--O 1.235 0.372 0 C-N-CA 122.452 2.101 . . . . 0.0 112.214 179.603 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 106.51 -24.35 26.04 Favored Glycine 0 CA--C 1.519 0.316 0 CA-C-N 116.055 -0.52 . . . . 0.0 113.003 178.331 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.48 ' HB ' ' HB3' ' A' ' 24' ' ' CYS . 54.9 t -130.71 102.46 6.65 Favored 'Isoleucine or valine' 0 C--O 1.237 0.447 0 CA-C-O 121.136 0.493 . . . . 0.0 110.821 -178.818 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 41.9 p90 -71.03 -165.79 0.13 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.844 177.861 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 42.7 tp -118.77 109.75 16.43 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 175.713 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.2 102.98 0.19 Allowed 'General case' 0 C--O 1.236 0.344 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.882 -175.751 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -88.04 111.36 21.44 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.49 179.613 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 80.8 m-70 -106.39 153.13 22.69 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 173.697 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.38 -24.44 44.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.185 0.516 . . . . 0.0 110.655 179.672 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -82.31 -41.42 20.11 Favored 'General case' 0 C--O 1.237 0.441 0 CA-C-N 115.472 -0.785 . . . . 0.0 111.097 179.652 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 26.3 ptt-85 -179.59 177.94 0.69 Allowed 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.252 -174.075 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 57.4 m-85 -96.79 150.87 20.22 Favored 'General case' 0 C--O 1.235 0.31 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 176.363 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 47.1 t -148.75 151.28 34.56 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 110.088 -0.338 . . . . 0.0 110.088 -179.222 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.481 ' SG ' ' HB3' ' A' ' 41' ' ' ARG . 26.1 t -141.32 94.61 2.71 Favored 'General case' 0 C--O 1.237 0.428 0 N-CA-C 111.997 0.369 . . . . 0.0 111.997 177.633 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -68.49 74.42 0.3 Allowed Glycine 0 N--CA 1.45 -0.4 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 172.003 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.481 ' HB3' ' SG ' ' A' ' 39' ' ' CYS . 24.7 tpt180 -173.34 -30.1 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 -176.063 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 22.1 p -150.12 3.82 0.53 Allowed 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.461 174.48 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 77.6 17.39 79.02 Favored Glycine 0 C--N 1.339 0.715 0 C-N-CA 121.23 -0.509 . . . . 0.0 113.533 175.057 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 44.8 t80 -63.62 118.94 8.94 Favored 'General case' 0 C--O 1.236 0.388 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 178.007 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 16.8 m -132.85 131.24 40.76 Favored 'General case' 0 C--N 1.328 -0.359 0 O-C-N 123.685 0.616 . . . . 0.0 109.725 -179.24 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -142.58 122.03 13.21 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 110.035 -0.357 . . . . 0.0 110.035 -178.483 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 71.9 m-85 -69.2 145.85 52.87 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.73 0.3 . . . . 0.0 111.413 -177.194 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 54.5 mmtt . . . . . 0 C--O 1.235 0.327 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.152 176.134 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.466 ' HB3' ' HA2' ' A' ' 25' ' ' GLY . 49.0 m-85 . . . . . 0 N--CA 1.456 -0.155 0 N-CA-C 110.07 -0.345 . . . . 0.0 110.07 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.472 ' O ' ' N ' ' A' ' 25' ' ' GLY . 51.7 t -62.55 114.52 12.29 Favored Pre-proline 0 C--O 1.224 -0.276 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 -179.447 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_exo -37.72 -54.92 1.18 Allowed 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 123.319 2.679 . . . . 0.0 113.825 -164.738 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 61.4 mtm180 -82.8 -33.37 27.29 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 112.523 0.564 . . . . 0.0 112.523 -173.352 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.462 ' HB3' ' HB ' ' A' ' 28' ' ' VAL . 9.8 m -90.03 -6.82 55.16 Favored 'General case' 0 N--CA 1.473 0.718 0 O-C-N 122.064 -0.397 . . . . 0.0 111.004 178.838 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 21' ' ' CYS . . . -42.0 -65.32 1.27 Allowed Glycine 0 C--N 1.335 0.474 0 O-C-N 123.787 0.679 . . . . 0.0 114.604 -166.327 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_endo -64.74 79.7 0.18 Allowed 'Trans proline' 0 C--O 1.235 0.368 0 C-N-CA 122.338 2.026 . . . . 0.0 112.052 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 131.23 -19.41 4.87 Favored Glycine 0 C--N 1.33 0.223 0 C-N-CA 121.109 -0.567 . . . . 0.0 113.156 178.474 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.462 ' HB ' ' HB3' ' A' ' 24' ' ' CYS . 40.5 t -133.45 105.44 7.79 Favored 'Isoleucine or valine' 0 C--O 1.237 0.425 0 CA-C-N 117.136 0.468 . . . . 0.0 110.446 178.663 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.418 ' HA ' ' CD1' ' A' ' 20' ' ' PHE . 18.8 p90 -62.75 160.63 13.95 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.372 178.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 47.4 tp -104.56 102.82 12.43 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.517 -0.92 . . . . 0.0 108.517 174.064 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.419 ' HB3' ' OG ' ' A' ' 38' ' ' SER . . . -60.9 98.31 0.07 Allowed 'General case' 0 C--O 1.237 0.41 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.027 -175.608 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -77.96 116.48 18.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.726 179.1 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 74.1 m-70 -110.51 154.32 23.84 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 108.427 -0.953 . . . . 0.0 108.427 172.435 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.441 ' O ' ' HG3' ' A' ' 48' ' ' LYS . . . -58.14 -26.27 62.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.081 0.467 . . . . 0.0 110.897 -177.854 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -84.88 -39.23 18.49 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.974 179.738 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.453 ' HB3' ' HA ' ' A' ' 47' ' ' PHE . 36.5 ptt180 -174.03 168.96 4.1 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 121.062 0.458 . . . . 0.0 111.407 -173.16 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 -97.74 144.43 27.37 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 108.739 -0.837 . . . . 0.0 108.739 177.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.419 ' OG ' ' HB3' ' A' ' 31' ' ' ALA . 61.1 p -135.94 147.55 48.14 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.913 0.387 . . . . 0.0 111.279 -175.907 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 18.4 t -133.81 86.13 2.26 Favored 'General case' 0 C--O 1.239 0.517 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.684 175.604 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -65.02 77.2 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.386 0 N-CA-C 111.462 -0.655 . . . . 0.0 111.462 174.59 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 3.8 tpt180 -168.98 -60.83 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 -177.477 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 20.5 p -108.02 -12.05 15.21 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.105 174.638 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 85.76 26.27 35.6 Favored Glycine 0 C--N 1.334 0.438 0 C-N-CA 120.93 -0.652 . . . . 0.0 112.387 179.484 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 78.6 t80 -76.5 112.04 12.61 Favored 'General case' 0 C--O 1.236 0.385 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 175.736 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 30.0 m -130.29 125.54 35.01 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.871 -178.344 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -128.42 119.18 24.46 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.327 -175.132 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.453 ' HA ' ' HB3' ' A' ' 36' ' ' ARG . 75.9 m-85 -64.73 146.98 54.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.811 0.339 . . . . 0.0 110.82 178.287 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.441 ' HG3' ' O ' ' A' ' 34' ' ' ALA . 48.5 mmtt . . . . . 0 C--O 1.234 0.251 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.395 -179.575 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 85.4 m-85 . . . . . 0 C--O 1.232 0.151 0 CA-C-O 121.092 0.473 . . . . 0.0 111.093 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.432 ' O ' ' N ' ' A' ' 25' ' ' GLY . 43.8 t -77.85 121.36 84.04 Favored Pre-proline 0 C--O 1.222 -0.384 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 175.146 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_exo -40.51 -50.67 3.7 Favored 'Trans proline' 0 C--N 1.347 0.488 0 C-N-CA 122.916 2.411 . . . . 0.0 113.434 -171.426 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 26.3 mmt180 -79.86 -55.54 4.91 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.169 -175.207 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.447 ' CB ' ' HB ' ' A' ' 28' ' ' VAL . 4.1 m -77.66 -1.67 32.18 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.7 -176.072 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 21' ' ' CYS . . . -41.4 -58.69 2.85 Favored Glycine 0 C--N 1.334 0.472 0 O-C-N 123.583 0.552 . . . . 0.0 114.167 -170.896 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_endo -66.84 80.14 0.36 Allowed 'Trans proline' 0 CA--C 1.532 0.414 0 C-N-CA 122.24 1.96 . . . . 0.0 111.495 176.534 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 131.1 -24.99 4.17 Favored Glycine 0 C--N 1.334 0.47 0 CA-C-N 115.877 -0.602 . . . . 0.0 112.822 177.332 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.447 ' HB ' ' CB ' ' A' ' 24' ' ' CYS . 93.3 t -135.29 121.75 33.27 Favored 'Isoleucine or valine' 0 C--O 1.236 0.358 0 CA-C-O 120.879 0.371 . . . . 0.0 110.665 -178.79 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 50.7 p90 -74.49 -166.92 0.48 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.945 178.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 32.4 tp -133.91 107.86 8.08 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 176.336 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.85 99.74 0.36 Allowed 'General case' 0 C--O 1.234 0.237 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.152 -174.124 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -85.04 91.81 8.19 Favored 'General case' 0 C--O 1.237 0.414 0 CA-C-O 121.263 0.554 . . . . 0.0 110.148 178.761 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 -82.99 159.82 22.14 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.573 -0.739 . . . . 0.0 109.227 176.283 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.63 -18.4 53.13 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-O 120.791 0.329 . . . . 0.0 111.184 -179.204 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -86.65 -41.06 14.52 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.805 177.389 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.558 ' HA ' ' HG2' ' A' ' 48' ' ' LYS . 13.9 ptt180 178.32 -175.32 0.18 Allowed 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.424 -174.21 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.547 ' HB2' ' HB3' ' A' ' 46' ' ' GLU . 66.6 m-85 -95.59 144.89 25.65 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 177.187 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 29.3 t -145.24 146.17 31.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.023 0.44 . . . . 0.0 110.547 178.142 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 34.6 t -130.02 92.18 3.26 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.154 179.118 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -66.24 72.38 0.14 Allowed Glycine 0 CA--C 1.519 0.296 0 O-C-N 123.706 0.629 . . . . 0.0 111.574 174.605 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 7.4 tpt180 -169.55 -41.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 -175.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.495 ' SG ' ' HB2' ' A' ' 44' ' ' TYR . 17.7 p -137.31 2.01 2.47 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.975 177.73 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 77.82 16.01 80.53 Favored Glycine 0 C--N 1.336 0.547 0 C-N-CA 121.006 -0.616 . . . . 0.0 112.711 177.387 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.495 ' HB2' ' SG ' ' A' ' 42' ' ' CYS . 51.1 t80 -65.58 105.27 1.17 Allowed 'General case' 0 C--O 1.236 0.347 0 N-CA-C 109.754 -0.461 . . . . 0.0 109.754 178.688 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 88.4 m -119.78 133.88 55.44 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.006 179.289 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.547 ' HB3' ' HB2' ' A' ' 37' ' ' TYR . 17.1 tp10 -133.3 112.55 11.75 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.924 -0.398 . . . . 0.0 109.924 -178.676 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 49.3 m-85 -54.57 148.66 11.95 Favored 'General case' 0 C--O 1.236 0.374 0 C-N-CA 122.54 0.336 . . . . 0.0 111.873 -177.29 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.558 ' HG2' ' HA ' ' A' ' 36' ' ' ARG . 33.9 mmtt . . . . . 0 C--O 1.236 0.363 0 CA-C-O 121.202 0.525 . . . . 0.0 110.703 174.827 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 108.982 -0.747 . . . . 0.0 108.982 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.465 ' O ' ' N ' ' A' ' 25' ' ' GLY . 45.0 t -72.82 125.5 91.13 Favored Pre-proline 0 C--N 1.322 -0.613 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 179.627 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 79.9 Cg_exo -35.53 -62.06 0.24 Allowed 'Trans proline' 0 C--N 1.349 0.592 0 C-N-CA 123.287 2.658 . . . . 0.0 113.75 -167.179 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 51.7 mtm180 -89.46 -27.85 20.08 Favored 'General case' 0 CA--C 1.536 0.421 0 N-CA-C 112.593 0.59 . . . . 0.0 112.593 -171.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.549 ' HB3' ' HB ' ' A' ' 28' ' ' VAL . 10.1 m -87.47 -8.72 56.11 Favored 'General case' 0 N--CA 1.473 0.719 0 O-C-N 122.097 -0.377 . . . . 0.0 110.543 178.412 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' A' ' 21' ' ' CYS . . . -41.12 -63.45 1.53 Allowed Glycine 0 C--N 1.336 0.555 0 O-C-N 123.958 0.786 . . . . 0.0 114.169 -167.766 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -58.62 90.15 0.06 OUTLIER 'Trans proline' 0 CA--C 1.531 0.337 0 C-N-CA 122.188 1.925 . . . . 0.0 111.486 177.005 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 114.21 -24.75 11.22 Favored Glycine 0 N--CA 1.452 -0.292 0 CA-C-N 115.829 -0.623 . . . . 0.0 112.873 177.33 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.549 ' HB ' ' HB3' ' A' ' 24' ' ' CYS . 21.2 t -133.39 103.27 5.42 Favored 'Isoleucine or valine' 0 C--O 1.236 0.387 0 CA-C-O 120.845 0.355 . . . . 0.0 110.257 -178.93 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 35.4 p90 -70.43 -176.21 1.18 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.267 -178.686 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.515 ' HG ' ' HB3' ' A' ' 37' ' ' TYR . 37.6 tp -113.4 105.32 13.24 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 108.928 -0.767 . . . . 0.0 108.928 175.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.78 104.08 0.26 Allowed 'General case' 0 C--O 1.234 0.257 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.408 -174.866 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.458 ' HG3' ' HE2' ' A' ' 48' ' ' LYS . 37.0 tt0 -79.24 133.24 36.67 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.396 179.645 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 92.9 m-70 -135.01 158.0 45.48 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 175.678 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -53.9 -36.9 63.2 Favored 'General case' 0 C--N 1.329 -0.299 0 O-C-N 123.27 0.356 . . . . 0.0 111.82 -175.744 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -82.07 -37.08 26.92 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.187 -178.587 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.659 ' HB2' ' O ' ' A' ' 46' ' ' GLU . 4.3 ptp180 -175.83 174.22 2.2 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.99 0.424 . . . . 0.0 111.588 -169.102 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.515 ' HB3' ' HG ' ' A' ' 30' ' ' LEU . 40.6 m-85 -98.13 151.49 20.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.089 175.478 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 19.5 t -141.74 155.95 45.61 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.851 0.358 . . . . 0.0 110.616 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.651 ' SG ' ' O ' ' A' ' 40' ' ' GLY . 40.6 t -147.0 123.88 11.3 Favored 'General case' 0 CA--C 1.516 -0.355 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.43 178.706 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.651 ' O ' ' SG ' ' A' ' 39' ' ' CYS . . . -68.59 -170.95 6.41 Favored Glycine 0 N--CA 1.447 -0.604 0 N-CA-C 109.006 -1.638 . . . . 0.0 109.006 161.666 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 7.0 tpt180 75.52 -52.29 0.64 Allowed 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 118.078 0.939 . . . . 0.0 110.682 175.387 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.555 ' SG ' ' HB2' ' A' ' 44' ' ' TYR . 14.6 p -126.5 -14.32 5.83 Favored 'General case' 0 N--CA 1.465 0.315 0 C-N-CA 120.522 -0.471 . . . . 0.0 111.996 178.093 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 84.16 14.15 72.51 Favored Glycine 0 C--N 1.335 0.475 0 C-N-CA 120.603 -0.808 . . . . 0.0 112.539 178.07 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.555 ' HB2' ' SG ' ' A' ' 42' ' ' CYS . 53.7 t80 -61.88 109.94 1.4 Allowed 'General case' 0 C--O 1.234 0.255 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 -179.338 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 29.6 m -122.65 106.96 11.43 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.647 177.571 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.659 ' O ' ' HB2' ' A' ' 36' ' ' ARG . 13.3 tp10 -107.35 163.9 12.65 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 -178.907 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 72.6 m-85 -100.99 152.19 20.87 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.102 0.477 . . . . 0.0 112.12 -173.662 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.458 ' HE2' ' HG3' ' A' ' 32' ' ' GLU . 14.2 mmtt . . . . . 0 C--O 1.236 0.357 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.928 -178.21 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 . . . . . 0 N--CA 1.454 -0.245 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.438 ' O ' ' N ' ' A' ' 25' ' ' GLY . 45.3 t -84.42 128.98 59.49 Favored Pre-proline 0 C--N 1.323 -0.565 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.038 -177.597 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_exo -35.8 -58.22 0.47 Allowed 'Trans proline' 0 C--N 1.351 0.685 0 C-N-CA 123.469 2.779 . . . . 0.0 113.759 -172.091 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 10.4 mmm180 -88.73 -35.9 16.45 Favored 'General case' 0 CA--C 1.533 0.315 0 N-CA-C 112.146 0.425 . . . . 0.0 112.146 -173.581 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.587 ' HB3' ' HB ' ' A' ' 28' ' ' VAL . 4.7 m -89.39 -2.51 58.44 Favored 'General case' 0 N--CA 1.473 0.725 0 N-CA-C 111.412 0.153 . . . . 0.0 111.412 -176.174 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 21' ' ' CYS . . . -40.17 -63.73 1.26 Allowed Glycine 0 C--N 1.336 0.545 0 O-C-N 123.688 0.618 . . . . 0.0 113.976 -170.297 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_exo -57.53 93.69 0.06 OUTLIER 'Trans proline' 0 CA--C 1.532 0.412 0 C-N-CA 122.297 1.998 . . . . 0.0 111.941 176.615 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 106.63 -24.46 25.57 Favored Glycine 0 CA--C 1.519 0.337 0 C-N-CA 121.352 -0.451 . . . . 0.0 113.601 174.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.587 ' HB ' ' HB3' ' A' ' 24' ' ' CYS . 21.3 t -127.49 103.94 11.44 Favored 'Isoleucine or valine' 0 C--O 1.238 0.487 0 CA-C-N 117.383 0.591 . . . . 0.0 110.313 -179.747 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 36.7 p90 -70.38 -178.76 1.81 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.639 -0.71 . . . . 0.0 111.218 -178.376 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.588 ' HG ' ' HB3' ' A' ' 37' ' ' TYR . 41.8 tp -112.95 110.21 20.13 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.348 -0.982 . . . . 0.0 108.348 174.926 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.489 ' O ' ' HA ' ' A' ' 37' ' ' TYR . . . -55.19 97.39 0.02 OUTLIER 'General case' 0 C--O 1.234 0.245 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.75 -173.757 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -80.59 110.33 15.97 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.258 179.034 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 -119.45 157.25 28.63 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.33 178.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -53.39 -29.54 35.25 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 115.889 -0.596 . . . . 0.0 112.126 -175.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -89.24 -38.92 13.88 Favored 'General case' 0 C--O 1.238 0.449 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.272 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 36.9 ptt180 -174.91 175.18 2.4 Favored 'General case' 0 C--O 1.231 0.092 0 CA-C-O 121.37 0.605 . . . . 0.0 111.8 -172.206 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.588 ' HB3' ' HG ' ' A' ' 30' ' ' LEU . 41.0 m-85 -98.31 154.66 17.66 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.034 -0.984 . . . . 0.0 109.461 173.806 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 20.5 p -153.15 159.71 42.76 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 110.395 -0.224 . . . . 0.0 110.395 177.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.418 ' SG ' ' O ' ' A' ' 40' ' ' GLY . 40.4 t -143.49 125.21 15.01 Favored 'General case' 0 CA--C 1.514 -0.44 0 N-CA-C 111.766 0.284 . . . . 0.0 111.766 -178.334 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.418 ' O ' ' SG ' ' A' ' 39' ' ' CYS . . . -70.3 -177.38 21.54 Favored Glycine 0 N--CA 1.445 -0.75 0 N-CA-C 109.961 -1.256 . . . . 0.0 109.961 163.032 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 27.4 ttt-85 74.69 -50.71 0.67 Allowed 'General case' 0 C--N 1.321 -0.648 0 C-N-CA 123.288 0.635 . . . . 0.0 111.087 177.016 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.45 ' SG ' ' HB2' ' A' ' 44' ' ' TYR . 10.5 p -125.18 -10.81 7.03 Favored 'General case' 0 C--N 1.344 0.34 0 C-N-CA 119.894 -0.723 . . . . 0.0 112.263 -179.296 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 77.43 18.42 77.93 Favored Glycine 0 C--N 1.336 0.578 0 C-N-CA 120.649 -0.786 . . . . 0.0 113.208 176.579 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.45 ' HB2' ' SG ' ' A' ' 42' ' ' CYS . 62.4 t80 -66.28 121.69 15.8 Favored 'General case' 0 C--O 1.235 0.334 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 178.849 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 87.2 m -134.18 131.88 39.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.55 -178.46 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -139.96 143.05 36.34 Favored 'General case' 0 C--O 1.222 -0.379 0 N-CA-C 108.693 -0.854 . . . . 0.0 108.693 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 71.1 m-85 -76.24 156.37 33.6 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.637 0.256 . . . . 0.0 111.326 -176.736 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 5.9 mmtt . . . . . 0 C--O 1.233 0.228 0 N-CA-C 109.887 -0.412 . . . . 0.0 109.887 177.612 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.518 ' HA ' ' HA ' ' A' ' 29' ' ' PHE . 42.1 m-85 . . . . . 0 N--CA 1.456 -0.168 0 N-CA-C 109.619 -0.511 . . . . 0.0 109.619 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 46.8 t -51.4 129.7 33.4 Favored Pre-proline 0 C--N 1.331 -0.234 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.843 -175.329 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -36.06 -54.07 0.88 Allowed 'Trans proline' 0 C--N 1.352 0.724 0 C-N-CA 123.663 2.909 . . . . 0.0 113.568 -174.147 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 14.1 mtm180 -97.83 -40.65 8.42 Favored 'General case' 0 CA--C 1.534 0.353 0 N-CA-C 112.116 0.413 . . . . 0.0 112.116 -175.225 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.605 ' HB3' ' HB ' ' A' ' 28' ' ' VAL . 19.4 m -75.94 -2.0 28.28 Favored 'General case' 0 N--CA 1.478 0.934 0 O-C-N 122.303 -0.248 . . . . 0.0 111.327 -179.555 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -37.78 -56.14 1.71 Allowed Glycine 0 C--N 1.336 0.583 0 O-C-N 123.815 0.697 . . . . 0.0 113.507 -173.846 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_exo -61.69 83.68 0.09 OUTLIER 'Trans proline' 0 C--O 1.236 0.41 0 C-N-CA 122.28 1.987 . . . . 0.0 111.767 174.018 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 118.32 -24.32 8.72 Favored Glycine 0 CA--C 1.521 0.46 0 CA-C-N 116.195 -0.457 . . . . 0.0 113.484 175.08 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.605 ' HB ' ' HB3' ' A' ' 24' ' ' CYS . 46.7 t -134.99 122.42 37.24 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.423 0 CA-C-N 117.409 0.605 . . . . 0.0 111.373 -178.228 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.518 ' HA ' ' HA ' ' A' ' 20' ' ' PHE . 38.5 p90 -78.91 -164.6 0.62 Allowed 'General case' 0 CA--C 1.535 0.401 0 CA-C-N 115.383 -0.826 . . . . 0.0 111.376 179.834 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 38.5 tp -129.17 109.22 10.98 Favored 'General case' 0 C--O 1.234 0.24 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 173.798 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -73.14 111.56 8.37 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.419 -174.484 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -77.92 131.79 37.62 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-O 120.982 0.42 . . . . 0.0 109.913 174.488 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 76.5 m-70 -125.23 158.57 33.73 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 173.461 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -53.39 -32.66 50.51 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 111.977 0.362 . . . . 0.0 111.977 -175.263 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -95.13 -26.18 16.12 Favored 'General case' 0 C--O 1.236 0.389 0 N-CA-C 112.121 0.415 . . . . 0.0 112.121 -175.546 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.556 ' NH1' HG21 ' A' ' 45' ' ' THR . 25.7 ptt180 -175.51 166.62 3.27 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 121.155 0.502 . . . . 0.0 111.85 -172.08 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -97.49 146.26 25.41 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 108.075 -1.083 . . . . 0.0 108.075 172.813 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 21.8 t -145.99 162.07 38.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.225 0.536 . . . . 0.0 111.514 -179.006 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.471 ' SG ' ' HB2' ' A' ' 41' ' ' ARG . 27.6 t -137.84 106.67 5.93 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 115.42 -0.809 . . . . 0.0 111.045 -178.767 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -75.07 62.71 2.52 Favored Glycine 0 CA--C 1.52 0.365 0 O-C-N 123.42 0.45 . . . . 0.0 112.156 176.406 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.511 ' HG3' HG21 ' A' ' 28' ' ' VAL . 20.7 mmt180 -159.01 -72.47 0.08 Allowed 'General case' 0 N--CA 1.464 0.235 0 C-N-CA 123.376 0.671 . . . . 0.0 110.023 -178.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.493 ' SG ' ' HB2' ' A' ' 44' ' ' TYR . 31.1 p -96.1 1.15 52.26 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 120.843 0.354 . . . . 0.0 110.793 179.669 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 70.37 28.04 71.86 Favored Glycine 0 C--N 1.334 0.438 0 C-N-CA 120.957 -0.639 . . . . 0.0 111.734 179.215 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.493 ' HB2' ' SG ' ' A' ' 42' ' ' CYS . 61.5 t80 -77.82 108.51 11.1 Favored 'General case' 0 N--CA 1.453 -0.296 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 176.587 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.556 HG21 ' NH1' ' A' ' 36' ' ' ARG . 52.0 m -130.32 124.41 32.24 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.791 -0.641 . . . . 0.0 109.45 179.075 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -129.74 130.79 45.87 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.102 -0.499 . . . . 0.0 109.811 -175.739 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 59.2 m-85 -57.96 147.04 30.34 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 120.73 0.3 . . . . 0.0 110.829 -178.714 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 5.4 tmtt? . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 115.872 -0.603 . . . . 0.0 111.016 -174.316 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 . . . . . 0 C--O 1.233 0.205 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 43.7 t -91.97 123.48 62.87 Favored Pre-proline 0 C--N 1.326 -0.444 0 C-N-CA 120.515 -0.474 . . . . 0.0 110.214 177.81 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 74.8 Cg_exo -43.54 -49.04 8.08 Favored 'Trans proline' 0 C--N 1.349 0.591 0 C-N-CA 123.186 2.591 . . . . 0.0 113.481 -173.173 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 23.1 mtp180 -86.72 -57.21 3.07 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.317 -174.747 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 3.3 m -73.02 -3.98 29.52 Favored 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 111.862 0.319 . . . . 0.0 111.862 -175.666 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -38.33 -65.18 0.74 Allowed Glycine 0 C--N 1.341 0.848 0 O-C-N 123.517 0.511 . . . . 0.0 114.32 -172.039 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -64.48 81.02 0.17 Allowed 'Trans proline' 0 CA--C 1.533 0.459 0 C-N-CA 122.362 2.041 . . . . 0.0 111.732 178.558 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 131.32 -24.48 4.18 Favored Glycine 0 CA--C 1.519 0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 112.639 178.179 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 19.3 t -133.32 107.44 11.13 Favored 'Isoleucine or valine' 0 C--O 1.239 0.543 0 CA-C-N 116.828 0.314 . . . . 0.0 110.64 -178.567 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 50.8 p90 -62.83 172.6 1.62 Allowed 'General case' 0 C--O 1.237 0.442 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.556 174.46 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 35.8 tp -102.92 117.14 33.95 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 176.235 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.13 89.47 0.08 Allowed 'General case' 0 C--O 1.235 0.342 0 CA-C-O 121.198 0.523 . . . . 0.0 110.548 -177.666 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -75.74 134.37 40.49 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.784 -179.711 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 80.3 m-70 -133.15 152.58 51.94 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 173.834 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -55.69 -25.37 39.52 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 111.719 0.266 . . . . 0.0 111.719 -177.117 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -92.67 -32.85 14.6 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.656 -178.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 12.4 ptp180 -173.04 170.54 4.4 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 121.161 0.505 . . . . 0.0 111.343 -175.482 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 67.8 m-85 -98.49 149.03 23.14 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.451 -0.795 . . . . 0.0 109.079 174.06 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 33.4 t -142.36 162.26 35.93 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.93 -0.396 . . . . 0.0 109.93 178.735 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.414 ' SG ' ' O ' ' A' ' 40' ' ' GLY . 42.4 t -147.03 125.81 12.65 Favored 'General case' 0 CA--C 1.513 -0.453 0 N-CA-C 111.779 0.289 . . . . 0.0 111.779 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.448 ' O ' ' HB2' ' A' ' 41' ' ' ARG . . . -67.65 178.73 18.56 Favored Glycine 0 N--CA 1.447 -0.579 0 N-CA-C 110.031 -1.228 . . . . 0.0 110.031 163.456 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.448 ' HB2' ' O ' ' A' ' 40' ' ' GLY . 22.6 mmt180 76.14 -53.55 0.61 Allowed 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 123.008 0.523 . . . . 0.0 111.224 177.245 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.447 ' SG ' ' HB2' ' A' ' 44' ' ' TYR . 13.6 p -122.68 -9.1 8.43 Favored 'General case' 0 N--CA 1.464 0.236 0 C-N-CA 119.93 -0.708 . . . . 0.0 112.04 -177.921 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 72.05 21.12 79.23 Favored Glycine 0 C--N 1.335 0.478 0 C-N-CA 120.625 -0.798 . . . . 0.0 112.91 177.359 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.447 ' HB2' ' SG ' ' A' ' 42' ' ' CYS . 85.3 t80 -63.42 124.83 22.31 Favored 'General case' 0 C--O 1.234 0.286 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 178.086 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 86.9 m -127.74 135.22 49.84 Favored 'General case' 0 C--N 1.327 -0.387 0 O-C-N 123.675 0.609 . . . . 0.0 109.845 178.04 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -139.22 114.61 9.75 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 79.3 m-85 -58.8 145.98 38.73 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.726 0.298 . . . . 0.0 111.044 -179.232 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 31.3 mmtt . . . . . 0 C--O 1.235 0.314 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.699 178.994 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.589 ' HB3' ' HA2' ' A' ' 25' ' ' GLY . 95.0 m-85 . . . . . 0 N--CA 1.454 -0.242 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.42 ' O ' ' N ' ' A' ' 25' ' ' GLY . 50.6 t -61.89 128.14 90.13 Favored Pre-proline 0 C--N 1.327 -0.373 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 178.321 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_exo -40.31 -52.98 2.78 Favored 'Trans proline' 0 C--N 1.349 0.602 0 C-N-CA 123.027 2.484 . . . . 0.0 113.343 -173.7 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 15.7 mmt180 -90.41 -37.68 13.8 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 116.022 -0.536 . . . . 0.0 112.243 -172.8 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.579 ' HB3' ' HB ' ' A' ' 28' ' ' VAL . 11.0 m -89.03 -0.73 57.67 Favored 'General case' 0 N--CA 1.477 0.898 0 O-C-N 122.357 -0.215 . . . . 0.0 111.377 -178.66 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.589 ' HA2' ' HB3' ' A' ' 20' ' ' PHE . . . -36.6 -62.3 0.8 Allowed Glycine 0 C--N 1.333 0.377 0 O-C-N 123.859 0.724 . . . . 0.0 114.612 -169.405 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 44.7 Cg_exo -57.29 84.72 0.04 OUTLIER 'Trans proline' 0 CA--C 1.535 0.556 0 C-N-CA 122.558 2.172 . . . . 0.0 112.432 178.368 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 113.88 -24.28 12.09 Favored Glycine 0 CA--C 1.521 0.42 0 CA-C-N 115.805 -0.634 . . . . 0.0 113.524 175.721 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.579 ' HB ' ' HB3' ' A' ' 24' ' ' CYS . 44.6 t -126.58 109.67 21.57 Favored 'Isoleucine or valine' 0 C--O 1.237 0.41 0 CA-C-O 121.184 0.516 . . . . 0.0 110.921 -177.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 37.0 p90 -76.43 -163.83 0.35 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.224 -0.898 . . . . 0.0 111.106 -179.64 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.425 ' HG ' ' HB3' ' A' ' 37' ' ' TYR . 30.1 tp -116.94 118.88 33.66 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 176.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -69.03 89.86 0.44 Allowed 'General case' 0 C--O 1.234 0.237 0 CA-C-O 121.046 0.451 . . . . 0.0 111.181 -175.665 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -75.21 126.86 31.89 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.85 178.699 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -130.62 156.85 44.18 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 174.15 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -54.35 -28.51 43.42 Favored 'General case' 0 C--O 1.235 0.314 0 O-C-N 123.296 0.372 . . . . 0.0 111.515 -177.522 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -83.94 -41.43 17.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.022 179.754 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 18.8 ptt180 -177.37 172.3 1.87 Allowed 'General case' 0 N--CA 1.463 0.194 0 CA-C-O 121.23 0.538 . . . . 0.0 111.539 -174.791 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.425 ' HB3' ' HG ' ' A' ' 30' ' ' LEU . 14.1 m-85 -98.67 137.96 36.54 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.246 -0.888 . . . . 0.0 109.046 176.554 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 47.1 t -134.38 161.34 35.27 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.877 0.37 . . . . 0.0 110.499 179.788 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 41.3 t -140.55 88.5 2.2 Favored 'General case' 0 C--O 1.238 0.471 0 CA-C-N 116.598 -0.274 . . . . 0.0 111.738 175.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -67.02 74.83 0.17 Allowed Glycine 0 C--N 1.332 0.354 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 172.2 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.564 ' HD2' ' SG ' ' A' ' 24' ' ' CYS . 0.5 OUTLIER -171.89 -30.68 0.01 OUTLIER 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 109.109 -0.7 . . . . 0.0 109.109 -174.584 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.428 ' SG ' ' HB2' ' A' ' 44' ' ' TYR . 26.0 p -147.45 -3.3 0.55 Allowed 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.718 174.797 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 79.89 22.99 62.65 Favored Glycine 0 C--N 1.338 0.646 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.558 179.71 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.428 ' HB2' ' SG ' ' A' ' 42' ' ' CYS . 59.2 t80 -79.4 123.23 27.31 Favored 'General case' 0 C--O 1.24 0.558 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 176.566 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 62.3 m -140.08 147.6 40.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 123.634 0.584 . . . . 0.0 110.626 -175.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -149.79 138.15 20.61 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 178.203 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 79.2 m-85 -77.07 147.48 36.65 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.66 0.267 . . . . 0.0 110.829 -177.366 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 25.0 mmtt . . . . . 0 C--O 1.233 0.204 0 CA-C-N 116.134 -0.485 . . . . 0.0 109.714 176.883 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 57.6 m-85 . . . . . 0 N--CA 1.455 -0.223 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 52.6 t -63.74 121.9 73.52 Favored Pre-proline 0 C--N 1.325 -0.5 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.316 -177.494 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -42.18 -39.52 6.06 Favored 'Trans proline' 0 C--N 1.351 0.683 0 C-N-CA 123.106 2.538 . . . . 0.0 113.564 -172.886 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 59.5 mmt-85 -93.78 -55.41 3.26 Favored 'General case' 0 CA--C 1.536 0.419 0 N-CA-C 111.951 0.352 . . . . 0.0 111.951 -177.58 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 4.2 m -75.86 -1.16 23.99 Favored 'General case' 0 N--CA 1.478 0.949 0 N-CA-C 111.665 0.246 . . . . 0.0 111.665 -176.636 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.401 ' O ' ' N ' ' A' ' 27' ' ' GLY . . . -33.52 -62.29 0.41 Allowed Glycine 0 N--CA 1.466 0.663 0 N-CA-C 115.454 0.942 . . . . 0.0 115.454 -169.21 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -53.01 84.09 0.02 OUTLIER 'Trans proline' 0 CA--C 1.535 0.568 0 C-N-CA 122.774 2.316 . . . . 0.0 113.138 -178.894 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.401 ' N ' ' O ' ' A' ' 25' ' ' GLY . . . 107.41 -24.96 23.04 Favored Glycine 0 CA--C 1.518 0.268 0 CA-C-N 116.031 -0.531 . . . . 0.0 112.735 176.84 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 39.4 t -118.81 98.54 6.53 Favored 'Isoleucine or valine' 0 C--O 1.238 0.5 0 CA-C-O 121.345 0.593 . . . . 0.0 110.117 -178.726 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 37.7 p90 -75.66 -170.07 1.2 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.098 -0.955 . . . . 0.0 111.226 -178.003 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.674 ' HG ' ' HB3' ' A' ' 37' ' ' TYR . 26.7 tp -113.28 101.07 9.06 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 108.549 -0.908 . . . . 0.0 108.549 176.128 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -55.03 107.48 0.31 Allowed 'General case' 0 C--O 1.232 0.172 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.748 -172.46 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -79.36 111.71 15.88 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.553 179.155 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 65.2 m-70 -111.77 153.35 26.66 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 108.851 -0.796 . . . . 0.0 108.851 173.879 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.51 -22.09 42.01 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.871 0.367 . . . . 0.0 111.389 -178.346 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -91.04 -37.03 13.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.351 178.559 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.578 ' HB2' ' O ' ' A' ' 46' ' ' GLU . 17.1 ptt-85 -176.95 172.01 2.07 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-O 121.072 0.463 . . . . 0.0 111.49 -175.249 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.674 ' HB3' ' HG ' ' A' ' 30' ' ' LEU . 14.7 m-85 -97.5 129.04 44.71 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.256 175.637 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 46.5 p -127.7 157.11 41.21 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.004 0.431 . . . . 0.0 111.022 -179.201 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.568 ' SG ' ' O ' ' A' ' 40' ' ' GLY . 42.9 t -131.07 132.3 44.79 Favored 'General case' 0 CA--C 1.512 -0.486 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.066 177.062 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.568 ' O ' ' SG ' ' A' ' 39' ' ' CYS . . . -73.17 177.96 41.75 Favored Glycine 0 N--CA 1.442 -0.947 0 N-CA-C 109.751 -1.34 . . . . 0.0 109.751 164.558 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 12.5 mmt180 75.65 -54.8 0.63 Allowed 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 117.143 0.472 . . . . 0.0 110.976 175.705 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.626 ' SG ' ' HB2' ' A' ' 44' ' ' TYR . 11.2 p -121.26 -4.23 9.46 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 120.218 -0.593 . . . . 0.0 112.002 -178.855 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 69.48 13.11 67.7 Favored Glycine 0 C--N 1.335 0.475 0 C-N-CA 120.771 -0.728 . . . . 0.0 113.215 175.285 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.626 ' HB2' ' SG ' ' A' ' 42' ' ' CYS . 62.5 t80 -61.53 127.99 34.12 Favored 'General case' 0 C--O 1.234 0.248 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 -178.138 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 94.2 m -134.45 127.42 31.45 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.223 0.535 . . . . 0.0 112.117 -174.345 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.578 ' O ' ' HB2' ' A' ' 36' ' ' ARG . 10.9 tp10 -112.33 157.76 20.6 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 107.704 -1.221 . . . . 0.0 107.704 170.796 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -104.65 151.02 24.19 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 118.333 0.515 . . . . 0.0 111.915 -176.388 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 41.0 mmtt . . . . . 0 C--O 1.234 0.27 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.242 176.567 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 . . . . . 0 C--O 1.233 0.205 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.434 ' O ' ' N ' ' A' ' 25' ' ' GLY . 39.4 t -81.21 111.36 23.77 Favored Pre-proline 0 C--N 1.326 -0.414 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 -178.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 67.1 Cg_exo -43.45 -39.5 9.42 Favored 'Trans proline' 0 C--N 1.35 0.648 0 C-N-CA 123.245 2.63 . . . . 0.0 113.418 -169.805 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 -85.45 -46.85 10.5 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.605 -175.57 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.451 ' CB ' ' HB ' ' A' ' 28' ' ' VAL . 4.5 m -89.97 -1.33 57.95 Favored 'General case' 0 N--CA 1.472 0.647 0 N-CA-C 111.786 0.291 . . . . 0.0 111.786 -176.489 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 21' ' ' CYS . . . -37.84 -73.46 0.14 Allowed Glycine 0 N--CA 1.464 0.564 0 O-C-N 123.692 0.62 . . . . 0.0 114.168 -168.189 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_exo -60.31 86.11 0.08 OUTLIER 'Trans proline' 0 CA--C 1.532 0.414 0 C-N-CA 122.3 2.0 . . . . 0.0 111.663 175.733 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 131.05 -25.51 4.11 Favored Glycine 0 N--CA 1.452 -0.273 0 CA-C-N 115.777 -0.647 . . . . 0.0 112.508 177.283 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.451 ' HB ' ' CB ' ' A' ' 24' ' ' CYS . 21.9 t -137.02 107.09 5.08 Favored 'Isoleucine or valine' 0 C--O 1.237 0.434 0 CA-C-O 120.839 0.352 . . . . 0.0 110.458 178.223 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 21.1 p90 -65.2 164.3 13.52 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.51 176.521 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 57.3 tp -102.73 107.9 18.95 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.486 -0.931 . . . . 0.0 108.486 172.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.14 94.86 0.02 OUTLIER 'General case' 0 C--O 1.234 0.278 0 O-C-N 123.272 0.358 . . . . 0.0 110.685 -176.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.445 ' HG3' ' CE2' ' A' ' 37' ' ' TYR . 48.4 tt0 -86.12 90.72 8.21 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.804 -179.049 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 66.9 m-70 -89.18 151.25 22.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.418 -0.81 . . . . 0.0 109.3 177.428 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.07 -22.07 48.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.919 0.39 . . . . 0.0 110.29 175.586 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -82.75 -42.53 17.88 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 115.883 -0.598 . . . . 0.0 111.244 177.304 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.489 ' HB2' ' O ' ' A' ' 46' ' ' GLU . 16.1 ptp180 -175.9 173.05 2.36 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-O 121.072 0.463 . . . . 0.0 111.48 -174.078 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.445 ' CE2' ' HG3' ' A' ' 32' ' ' GLU . 33.0 m-85 -97.5 140.47 31.89 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 108.68 -0.859 . . . . 0.0 108.68 174.937 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 31.2 t -144.11 148.46 35.13 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 121.202 0.525 . . . . 0.0 111.808 -177.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 45.5 t -139.59 87.18 2.16 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.024 175.38 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -71.57 69.21 0.94 Allowed Glycine 0 C--N 1.335 0.474 0 O-C-N 123.425 0.453 . . . . 0.0 112.617 -179.345 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 16.7 mmt180 -160.31 -48.22 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 123.555 0.742 . . . . 0.0 109.418 -179.552 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 17.8 p -116.33 -14.59 11.02 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.441 176.635 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 89.77 27.36 22.02 Favored Glycine 0 C--N 1.335 0.485 0 C-N-CA 121.182 -0.532 . . . . 0.0 113.061 176.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 52.7 t80 -78.87 108.78 12.58 Favored 'General case' 0 C--O 1.237 0.434 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 174.532 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 49.3 m -140.29 146.39 38.5 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.195 -177.033 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.489 ' O ' ' HB2' ' A' ' 36' ' ' ARG . 13.7 tp10 -162.06 144.07 11.18 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 109.738 -0.468 . . . . 0.0 109.738 -179.221 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 86.7 m-85 -65.82 155.73 35.39 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-O 120.938 0.399 . . . . 0.0 111.233 -179.191 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 12.8 mmtt . . . . . 0 C--O 1.234 0.266 0 CA-C-O 121.432 0.634 . . . . 0.0 110.032 174.777 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 . . . . . 0 C--O 1.235 0.326 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 47.9 t -88.34 123.59 68.06 Favored Pre-proline 0 C--N 1.325 -0.481 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 176.304 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_endo -53.72 -23.55 26.85 Favored 'Trans proline' 0 CA--C 1.535 0.56 0 C-N-CA 122.964 2.443 . . . . 0.0 113.692 -169.891 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.536 ' NE ' ' HA ' ' A' ' 23' ' ' ARG . 4.1 mmp_? -106.2 -47.83 3.73 Favored 'General case' 0 N--CA 1.468 0.44 0 O-C-N 122.165 -0.334 . . . . 0.0 111.735 177.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.493 ' HB3' ' HB ' ' A' ' 28' ' ' VAL . 7.7 m -81.34 -0.06 39.41 Favored 'General case' 0 N--CA 1.474 0.771 0 N-CA-C 111.814 0.302 . . . . 0.0 111.814 -177.497 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -33.85 -62.19 0.45 Allowed Glycine 0 C--N 1.339 0.733 0 O-C-N 123.653 0.596 . . . . 0.0 114.133 -172.684 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 28.4 Cg_endo -62.75 98.65 0.2 Allowed 'Trans proline' 0 CA--C 1.534 0.493 0 C-N-CA 122.353 2.035 . . . . 0.0 112.108 176.223 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 106.54 -24.91 24.58 Favored Glycine 0 CA--C 1.518 0.248 0 CA-C-N 115.999 -0.546 . . . . 0.0 113.298 175.45 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.493 ' HB ' ' HB3' ' A' ' 24' ' ' CYS . 18.0 t -132.32 106.15 10.41 Favored 'Isoleucine or valine' 0 C--O 1.237 0.43 0 CA-C-N 117.187 0.494 . . . . 0.0 110.527 -178.651 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 41.7 p90 -72.02 -174.2 1.19 Allowed 'General case' 0 C--O 1.236 0.35 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.101 176.93 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.412 ' HG ' ' HB3' ' A' ' 37' ' ' TYR . 27.8 tp -106.31 113.72 27.41 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 177.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.21 97.17 0.03 OUTLIER 'General case' 0 C--O 1.233 0.219 0 CA-C-O 121.113 0.482 . . . . 0.0 110.78 -177.353 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 59.1 tt0 -84.48 125.22 32.19 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.633 -176.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 76.1 m-70 -128.13 156.47 42.81 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 176.48 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.32 -26.31 62.91 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 120.685 0.279 . . . . 0.0 111.609 -177.194 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -89.08 -36.26 15.86 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.487 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 15.5 ptp180 -168.52 166.22 12.16 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.326 0.584 . . . . 0.0 112.056 -169.629 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.412 ' HB3' ' HG ' ' A' ' 30' ' ' LEU . 62.1 m-85 -98.42 140.55 32.5 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 114.959 -1.018 . . . . 0.0 108.258 168.682 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 9.5 t -142.68 162.32 35.78 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 120.828 0.347 . . . . 0.0 110.112 -177.746 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.538 ' SG ' ' O ' ' A' ' 40' ' ' GLY . 46.1 t -149.19 127.99 12.54 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.589 -178.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.538 ' O ' ' SG ' ' A' ' 39' ' ' CYS . . . -73.39 -170.19 18.87 Favored Glycine 0 N--CA 1.443 -0.87 0 N-CA-C 109.468 -1.453 . . . . 0.0 109.468 161.764 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 14.5 mmt85 73.5 -48.17 0.67 Allowed 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 117.315 0.557 . . . . 0.0 111.243 175.636 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.416 ' SG ' ' HB2' ' A' ' 44' ' ' TYR . 15.7 p -126.87 -15.88 5.29 Favored 'General case' 0 C--N 1.342 0.267 0 C-N-CA 120.404 -0.518 . . . . 0.0 111.743 177.451 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 79.07 25.41 59.79 Favored Glycine 0 C--N 1.331 0.291 0 C-N-CA 120.399 -0.905 . . . . 0.0 112.474 179.701 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.416 ' HB2' ' SG ' ' A' ' 42' ' ' CYS . 79.3 t80 -71.54 116.0 11.38 Favored 'General case' 0 C--O 1.233 0.227 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 175.741 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 74.5 m -133.47 126.08 30.37 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.458 178.517 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -137.03 126.81 25.56 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -59.87 156.88 13.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.872 0.367 . . . . 0.0 111.658 -175.615 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 29.1 mmtt . . . . . 0 C--O 1.232 0.164 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.496 176.365 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 90.3 m-85 . . . . . 0 C--O 1.232 0.14 0 N-CA-C 110.138 -0.319 . . . . 0.0 110.138 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.405 ' O ' ' N ' ' A' ' 25' ' ' GLY . 46.1 t -71.25 121.7 84.99 Favored Pre-proline 0 C--N 1.33 -0.277 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 -179.282 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -38.62 -45.87 2.46 Favored 'Trans proline' 0 C--N 1.35 0.647 0 C-N-CA 123.514 2.81 . . . . 0.0 113.991 -171.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 5.1 mmp_? -91.48 -47.52 7.38 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.507 -176.471 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.559 ' HB3' ' HB ' ' A' ' 28' ' ' VAL . 8.3 m -81.57 -1.25 45.68 Favored 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 111.597 0.221 . . . . 0.0 111.597 -175.527 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.405 ' N ' ' O ' ' A' ' 21' ' ' CYS . . . -40.82 -64.0 1.34 Allowed Glycine 0 C--N 1.338 0.648 0 O-C-N 123.495 0.497 . . . . 0.0 114.168 -171.357 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_endo -68.02 83.78 0.44 Allowed 'Trans proline' 0 N--CA 1.461 -0.441 0 C-N-CA 122.116 1.877 . . . . 0.0 111.725 177.071 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 131.36 -25.13 4.09 Favored Glycine 0 CA--C 1.519 0.326 0 CA-C-N 115.985 -0.552 . . . . 0.0 113.373 175.706 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.559 ' HB ' ' HB3' ' A' ' 24' ' ' CYS . 42.3 t -132.3 133.2 60.41 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.42 0 CA-C-N 117.265 0.532 . . . . 0.0 110.754 -178.888 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 49.4 p90 -77.27 178.72 6.88 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.612 -178.353 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 44.7 tp -127.5 107.96 10.39 Favored 'General case' 0 C--O 1.234 0.269 0 N-CA-C 108.987 -0.746 . . . . 0.0 108.987 174.82 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.491 ' HB3' ' HB3' ' A' ' 38' ' ' SER . . . -62.62 97.9 0.11 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.881 0.372 . . . . 0.0 110.981 -176.455 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -82.25 132.1 35.23 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.549 -179.779 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 75.9 m-70 -134.84 155.56 50.43 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 176.509 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.23 -22.82 53.7 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.922 0.392 . . . . 0.0 111.435 -177.49 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -94.16 -34.96 12.73 Favored 'General case' 0 C--O 1.237 0.422 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.464 -179.627 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 21.4 ptt180 -173.4 168.02 4.63 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 121.225 0.536 . . . . 0.0 111.848 -170.464 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 50.1 m-85 -99.91 148.87 24.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.322 -0.854 . . . . 0.0 109.159 173.722 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.491 ' HB3' ' HB3' ' A' ' 31' ' ' ALA . 32.6 t -135.09 147.85 49.67 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.044 0.45 . . . . 0.0 111.034 -177.176 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.4 ' HB3' ' HB3' ' A' ' 44' ' ' TYR . 41.8 t -141.03 89.67 2.26 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.89 174.299 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -71.17 63.33 1.0 Allowed Glycine 0 CA--C 1.521 0.434 0 O-C-N 123.417 0.448 . . . . 0.0 112.286 176.083 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.411 ' HD2' ' HA ' ' A' ' 41' ' ' ARG . 20.7 tpt180 -161.04 -29.97 0.05 Allowed 'General case' 0 CA--C 1.532 0.26 0 N-CA-C 109.955 -0.387 . . . . 0.0 109.955 -178.484 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 15.5 p -139.01 3.46 2.21 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-O 120.706 0.289 . . . . 0.0 110.421 172.066 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 77.35 15.55 81.36 Favored Glycine 0 C--N 1.334 0.463 0 C-N-CA 121.152 -0.547 . . . . 0.0 112.993 175.401 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.4 ' HB3' ' HB3' ' A' ' 39' ' ' CYS . 72.7 t80 -64.39 107.05 1.24 Allowed 'General case' 0 C--O 1.237 0.424 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 178.22 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 14.8 m -128.23 115.76 18.84 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.288 -0.869 . . . . 0.0 109.545 -179.821 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -132.27 129.6 39.8 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.087 -178.181 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 82.7 m-85 -72.97 151.95 41.59 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.867 0.365 . . . . 0.0 110.86 -178.234 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 44.0 mmtt . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 115.638 -0.71 . . . . 0.0 112.515 -176.989 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 62.7 m-85 . . . . . 0 CA--C 1.53 0.187 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.466 ' SG ' ' HD2' ' A' ' 22' ' ' PRO . 49.3 t -78.09 140.8 62.06 Favored Pre-proline 0 N--CA 1.463 0.221 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 178.093 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.466 ' HD2' ' SG ' ' A' ' 21' ' ' CYS . 52.0 Cg_exo -51.52 -71.48 0.04 OUTLIER 'Trans proline' 0 C--N 1.348 0.551 0 C-N-CA 122.32 2.013 . . . . 0.0 112.776 -176.321 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 79.4 mtm-85 -76.56 -38.43 55.0 Favored 'General case' 0 CA--C 1.532 0.265 0 N-CA-C 112.319 0.489 . . . . 0.0 112.319 -171.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.439 ' HB3' ' HB ' ' A' ' 28' ' ' VAL . 4.3 m -80.92 -3.67 52.27 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 120.908 -0.317 . . . . 0.0 110.97 -179.876 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -42.05 -58.18 3.32 Favored Glycine 0 C--N 1.339 0.72 0 O-C-N 123.492 0.495 . . . . 0.0 113.399 -173.282 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_exo -60.29 88.57 0.08 OUTLIER 'Trans proline' 0 CA--C 1.532 0.394 0 C-N-CA 122.263 1.976 . . . . 0.0 111.686 173.441 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 115.64 -25.13 9.84 Favored Glycine 0 CA--C 1.522 0.481 0 CA-C-N 116.028 -0.533 . . . . 0.0 113.518 175.004 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.439 ' HB ' ' HB3' ' A' ' 24' ' ' CYS . 39.9 t -128.13 120.07 52.56 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.438 0 CA-C-N 117.52 0.66 . . . . 0.0 110.942 -177.405 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 48.4 p90 -76.25 -174.49 2.82 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.52 177.549 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 34.7 tp -118.91 119.99 35.98 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 175.896 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -66.09 90.24 0.14 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.25 0.548 . . . . 0.0 110.938 -176.227 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -77.84 102.26 7.16 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.512 178.728 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 67.4 m-70 -106.38 153.58 22.03 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.195 -0.668 . . . . 0.0 109.195 175.339 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.57 -24.0 63.37 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 120.849 0.357 . . . . 0.0 111.029 -179.74 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -82.62 -40.93 20.13 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.89 177.845 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.494 ' CB ' ' HA ' ' A' ' 47' ' ' PHE . 16.2 ptt180 -179.15 173.23 1.17 Allowed 'General case' 0 C--O 1.233 0.209 0 CA-C-O 121.09 0.472 . . . . 0.0 111.442 -173.695 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 41.0 m-85 -98.17 138.55 35.28 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.423 -0.808 . . . . 0.0 109.392 175.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 22.0 p -135.4 151.68 50.69 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.958 0.408 . . . . 0.0 110.584 178.433 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.496 ' SG ' ' HB3' ' A' ' 41' ' ' ARG . 48.8 t -134.84 88.3 2.42 Favored 'General case' 0 C--O 1.239 0.535 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.582 177.787 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -65.18 72.2 0.08 OUTLIER Glycine 0 C--N 1.333 0.405 0 N-CA-C 111.462 -0.655 . . . . 0.0 111.462 172.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.496 ' HB3' ' SG ' ' A' ' 39' ' ' CYS . 25.8 tpt180 -168.95 -38.66 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 -174.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 29.1 p -136.98 -2.08 2.12 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.308 176.881 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 77.64 28.7 56.78 Favored Glycine 0 C--N 1.334 0.445 0 C-N-CA 120.849 -0.691 . . . . 0.0 112.412 178.629 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 69.3 t80 -86.98 109.04 19.11 Favored 'General case' 0 C--O 1.236 0.386 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 176.585 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 39.1 m -130.74 134.59 47.02 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.808 179.695 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.428 ' O ' ' HB2' ' A' ' 36' ' ' ARG . 10.6 tp10 -142.68 133.43 25.38 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.913 -0.403 . . . . 0.0 109.913 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.494 ' HA ' ' CB ' ' A' ' 36' ' ' ARG . 93.0 m-85 -72.87 151.96 41.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.036 0.446 . . . . 0.0 111.749 -175.731 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 43.3 mmtt . . . . . 0 N--CA 1.463 0.216 0 CA-C-N 115.613 -0.722 . . . . 0.0 111.578 -179.185 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 . . . . . 0 C--O 1.233 0.208 0 N-CA-C 109.961 -0.385 . . . . 0.0 109.961 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.649 ' SG ' ' HD2' ' A' ' 22' ' ' PRO . 44.5 t -101.55 143.18 26.09 Favored Pre-proline 0 C--N 1.33 -0.256 0 N-CA-C 110.133 -0.321 . . . . 0.0 110.133 179.091 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.649 ' HD2' ' SG ' ' A' ' 21' ' ' CYS . 18.2 Cg_endo -58.73 -48.93 13.0 Favored 'Trans proline' 0 C--N 1.35 0.657 0 C-N-CA 122.266 1.978 . . . . 0.0 112.718 -175.094 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 30.3 mmt180 -88.02 -60.17 2.04 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-O 120.768 0.318 . . . . 0.0 110.98 -176.131 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.8 m -71.5 -1.25 12.67 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 111.778 0.288 . . . . 0.0 111.778 -175.612 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -34.26 -67.07 0.26 Allowed Glycine 0 C--N 1.342 0.875 0 O-C-N 123.622 0.576 . . . . 0.0 114.363 -172.682 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -55.6 95.98 0.05 OUTLIER 'Trans proline' 0 C--O 1.238 0.504 0 C-N-CA 122.382 2.054 . . . . 0.0 112.087 178.2 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 106.02 -24.31 26.9 Favored Glycine 0 C--N 1.331 0.259 0 CA-C-N 116.067 -0.515 . . . . 0.0 112.891 176.594 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 19.3 t -126.77 98.72 4.95 Favored 'Isoleucine or valine' 0 C--O 1.239 0.523 0 CA-C-N 117.032 0.416 . . . . 0.0 110.732 -177.6 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 48.4 p90 -72.81 174.48 7.64 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.232 177.327 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.429 HD21 ' HB3' ' A' ' 37' ' ' TYR . 51.9 tp -94.99 118.75 32.34 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 177.723 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.99 88.11 0.01 OUTLIER 'General case' 0 C--O 1.234 0.274 0 CA-C-O 121.324 0.583 . . . . 0.0 110.071 178.926 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -82.19 111.96 18.77 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.197 -0.91 . . . . 0.0 110.397 -176.352 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.427 ' O ' ' HE3' ' A' ' 48' ' ' LYS . 90.1 m-70 -118.0 156.49 28.46 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.046 179.109 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.2 -26.84 68.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.137 0.494 . . . . 0.0 110.717 177.891 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -80.87 -36.64 31.08 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.432 179.049 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 6.1 ptp180 -177.06 -178.2 0.8 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.16 0.505 . . . . 0.0 111.193 -167.554 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.429 ' HB3' HD21 ' A' ' 30' ' ' LEU . 47.1 m-85 -113.83 139.4 49.18 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.563 -0.903 . . . . 0.0 108.563 174.211 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.41 ' O ' HD12 ' A' ' 30' ' ' LEU . 46.9 t -137.58 156.19 48.36 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.663 0.268 . . . . 0.0 110.385 -178.225 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 53.4 t -149.17 124.84 10.44 Favored 'General case' 0 CA--C 1.514 -0.43 0 N-CA-C 111.815 0.302 . . . . 0.0 111.815 178.18 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.513 ' O ' ' HB2' ' A' ' 41' ' ' ARG . . . -66.08 178.54 12.82 Favored Glycine 0 N--CA 1.447 -0.576 0 N-CA-C 110.004 -1.238 . . . . 0.0 110.004 162.685 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.513 ' HB2' ' O ' ' A' ' 40' ' ' GLY . 9.4 mmt180 76.56 -48.2 0.55 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 117.238 0.519 . . . . 0.0 111.587 177.598 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.417 ' SG ' ' HB2' ' A' ' 44' ' ' TYR . 20.9 p -125.13 -13.67 6.72 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 119.922 -0.711 . . . . 0.0 112.061 179.801 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 76.19 19.56 78.32 Favored Glycine 0 C--N 1.333 0.363 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.676 178.185 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.417 ' HB2' ' SG ' ' A' ' 42' ' ' CYS . 71.6 t80 -61.07 126.53 27.71 Favored 'General case' 0 C--O 1.234 0.278 0 N-CA-C 109.887 -0.412 . . . . 0.0 109.887 179.755 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 5.7 m -134.15 140.64 46.68 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.955 -177.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -150.84 105.98 3.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.177 -179.488 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 72.4 m-85 -67.54 136.81 55.1 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 110.28 -0.267 . . . . 0.0 110.28 178.239 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.427 ' HE3' ' O ' ' A' ' 33' ' ' HIS . 74.2 mttt . . . . . 0 N--CA 1.467 0.399 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.324 -179.665 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 58.0 m-85 . . . . . 0 N--CA 1.449 -0.488 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 48.6 t -82.31 133.59 50.18 Favored Pre-proline 0 C--N 1.321 -0.638 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 179.372 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -43.35 -60.76 0.68 Allowed 'Trans proline' 0 C--N 1.349 0.604 0 C-N-CA 122.753 2.302 . . . . 0.0 113.235 -171.494 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 54.2 mtm180 -87.57 -35.56 18.04 Favored 'General case' 0 CA--C 1.532 0.273 0 N-CA-C 112.448 0.536 . . . . 0.0 112.448 -174.608 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.54 ' HB3' ' HB ' ' A' ' 28' ' ' VAL . 4.3 m -83.54 -1.39 53.63 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 120.735 -0.386 . . . . 0.0 111.111 -178.882 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -42.2 -56.15 4.06 Favored Glycine 0 CA--C 1.523 0.534 0 O-C-N 123.524 0.515 . . . . 0.0 114.273 -173.059 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 48.3 Cg_endo -68.78 76.71 0.79 Allowed 'Trans proline' 0 CA--C 1.534 0.519 0 C-N-CA 122.34 2.026 . . . . 0.0 112.179 177.288 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 131.35 -25.49 4.04 Favored Glycine 0 C--N 1.333 0.402 0 CA-C-N 116.131 -0.486 . . . . 0.0 113.192 174.645 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.54 ' HB ' ' HB3' ' A' ' 24' ' ' CYS . 39.7 t -129.51 114.72 32.12 Favored 'Isoleucine or valine' 0 C--O 1.237 0.423 0 CA-C-N 117.114 0.457 . . . . 0.0 110.564 -179.428 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 20.2 p90 -72.92 -167.06 0.35 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.075 -179.444 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 33.7 tp -132.42 105.84 7.52 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 177.307 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.66 115.62 4.11 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.4 -175.245 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -88.19 125.35 34.58 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-O 121.183 0.516 . . . . 0.0 111.131 179.245 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 57.5 m-70 -124.31 151.74 43.91 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 107.917 -1.142 . . . . 0.0 107.917 169.349 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.02 -22.65 61.02 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.204 0.526 . . . . 0.0 110.227 179.177 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -81.56 -43.23 18.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.193 -0.912 . . . . 0.0 110.886 179.394 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.4 ' CB ' ' HA ' ' A' ' 47' ' ' PHE . 32.2 ptt180 -173.48 -179.9 1.97 Allowed 'General case' 0 CA--C 1.531 0.22 0 CA-C-O 121.241 0.543 . . . . 0.0 111.827 -167.715 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 82.1 m-85 -104.66 147.18 27.94 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 115.059 -0.973 . . . . 0.0 109.016 173.165 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 24.0 t -134.45 140.44 46.25 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-O 120.786 0.327 . . . . 0.0 110.8 -179.38 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.505 ' SG ' ' O ' ' A' ' 40' ' ' GLY . 42.6 t -139.42 125.87 20.37 Favored 'General case' 0 CA--C 1.514 -0.414 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.651 177.464 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.505 ' O ' ' SG ' ' A' ' 39' ' ' CYS . . . -70.47 176.91 34.25 Favored Glycine 0 N--CA 1.444 -0.814 0 N-CA-C 110.12 -1.192 . . . . 0.0 110.12 164.165 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.425 ' HB3' ' O ' ' A' ' 40' ' ' GLY . 35.4 ttt85 76.09 -44.21 0.49 Allowed 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 122.936 0.494 . . . . 0.0 112.168 175.097 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.511 ' SG ' ' HB2' ' A' ' 44' ' ' TYR . 9.6 p -127.66 -6.04 5.75 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 119.656 -0.818 . . . . 0.0 111.957 177.106 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 70.46 22.69 77.81 Favored Glycine 0 C--N 1.334 0.438 0 C-N-CA 120.435 -0.888 . . . . 0.0 112.292 174.87 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.511 ' HB2' ' SG ' ' A' ' 42' ' ' CYS . 62.3 t80 -59.12 104.92 0.28 Allowed 'General case' 0 C--O 1.236 0.383 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 177.036 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 6.1 m -125.99 108.39 11.35 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.123 -179.748 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -134.06 127.29 31.92 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.288 -177.181 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.4 ' HA ' ' CB ' ' A' ' 36' ' ' ARG . 70.2 m-85 -61.44 156.93 18.07 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.758 -177.1 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 54.0 mmtt . . . . . 0 N--CA 1.47 0.572 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.692 174.691 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.407 ' SD ' ' N ' ' A' ' 1' ' ' MET . 1.3 mpt? . . . . . 0 N--CA 1.483 1.206 0 N-CA-C 110.343 -0.243 . . . . 0.0 110.343 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 67.22 105.15 0.05 OUTLIER 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.711 -178.295 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.784 ' HD3' ' H ' ' A' ' 3' ' ' LYS . 0.2 OUTLIER -101.68 125.88 48.43 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 176.714 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.585 ' HD2' ' N ' ' A' ' 4' ' ' ARG . 1.5 mpt_? -98.8 92.37 5.53 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 -178.8 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -121.83 76.14 1.26 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.52 -177.257 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.44 HD12 ' N ' ' A' ' 6' ' ' LEU . 6.3 mp -93.49 83.67 4.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.406 175.759 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 24.7 p90 -98.76 134.01 42.26 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.901 -177.607 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -80.52 178.63 8.2 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.428 -0.805 . . . . 0.0 111.373 -177.036 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.468 HG12 ' HB3' ' A' ' 55' ' ' SER . 33.4 pt -139.28 149.31 23.08 Favored 'Isoleucine or valine' 0 C--O 1.236 0.372 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.785 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -114.51 90.12 3.26 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 174.488 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -105.95 133.72 50.22 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.563 -175.296 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -66.58 101.25 0.61 Allowed Glycine 0 N--CA 1.452 -0.278 0 N-CA-C 111.532 -0.627 . . . . 0.0 111.532 177.005 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -63.77 88.31 0.04 OUTLIER 'General case' 0 CA--C 1.531 0.237 0 CA-C-O 120.949 0.404 . . . . 0.0 110.846 -177.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 88.9 mt -95.26 96.18 9.0 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.383 179.046 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 59.7 t -132.15 100.36 4.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.488 178.449 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 73.3 mtt-85 -72.65 88.67 1.28 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.051 0.453 . . . . 0.0 110.263 -179.59 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 83.3 tttt -59.4 162.32 4.9 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.58 -178.391 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 59.9 m-70 65.12 52.27 1.53 Allowed 'General case' 0 N--CA 1.467 0.395 0 CA-C-O 121.345 0.593 . . . . 0.0 109.411 -174.381 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.438 ' HD3' ' O ' ' A' ' 20' ' ' PHE . 0.6 OUTLIER -76.79 108.66 9.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.613 -0.722 . . . . 0.0 109.315 179.902 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.438 ' O ' ' HD3' ' A' ' 19' ' ' ARG . 88.8 m-85 -76.42 173.45 11.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.318 0.58 . . . . 0.0 111.514 -175.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.427 ' O ' ' N ' ' A' ' 25' ' ' GLY . 43.9 t -87.93 118.46 69.69 Favored Pre-proline 0 C--N 1.327 -0.409 0 N-CA-C 108.566 -0.902 . . . . 0.0 108.566 175.911 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_exo -37.38 -58.43 0.59 Allowed 'Trans proline' 0 C--N 1.349 0.567 0 C-N-CA 123.574 2.849 . . . . 0.0 114.092 -165.404 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 41.8 mtm180 -86.39 -29.89 22.56 Favored 'General case' 0 CA--C 1.534 0.334 0 N-CA-C 112.244 0.461 . . . . 0.0 112.244 -173.509 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.551 ' HB3' ' HB ' ' A' ' 28' ' ' VAL . 8.2 m -89.47 -6.32 56.56 Favored 'General case' 0 N--CA 1.473 0.716 0 O-C-N 122.313 -0.242 . . . . 0.0 111.145 -179.11 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.427 ' N ' ' O ' ' A' ' 21' ' ' CYS . . . -40.81 -65.95 0.96 Allowed Glycine 0 C--N 1.336 0.546 0 O-C-N 123.73 0.644 . . . . 0.0 113.693 -169.511 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_exo -65.77 90.79 0.24 Allowed 'Trans proline' 0 C--O 1.235 0.365 0 C-N-CA 122.292 1.995 . . . . 0.0 111.326 175.538 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 124.65 -24.77 6.04 Favored Glycine 0 C--N 1.329 0.163 0 CA-C-N 116.133 -0.485 . . . . 0.0 112.513 177.149 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.551 ' HB ' ' HB3' ' A' ' 24' ' ' CYS . 25.3 t -136.22 98.96 1.95 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.503 0 CA-C-O 120.751 0.31 . . . . 0.0 110.524 178.67 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 17.2 p90 -64.17 160.76 17.7 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.169 -0.469 . . . . 0.0 109.895 175.293 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.683 ' HG ' ' HB3' ' A' ' 37' ' ' TYR . 26.7 tp -93.43 111.36 23.01 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 108.376 -0.972 . . . . 0.0 108.376 176.13 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.465 ' O ' ' HA ' ' A' ' 37' ' ' TYR . . . -52.26 92.33 0.01 OUTLIER 'General case' 0 C--O 1.235 0.305 0 O-C-N 123.513 0.508 . . . . 0.0 111.42 -174.144 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 44.9 tt0 -78.24 107.16 10.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.718 -179.202 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 90.9 m-70 -102.92 160.96 14.14 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.329 -0.85 . . . . 0.0 109.451 173.481 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.3 -27.22 54.76 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.183 0.438 . . . . 0.0 112.183 -175.849 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -110.44 -15.91 13.81 Favored 'General case' 0 CA--C 1.532 0.258 0 N-CA-C 112.189 0.44 . . . . 0.0 112.189 -175.039 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 34.6 ptt-85 -171.0 -169.69 0.78 Allowed 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 120.472 -0.491 . . . . 0.0 111.894 -173.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.683 ' HB3' ' HG ' ' A' ' 30' ' ' LEU . 51.7 m-85 -131.24 160.31 35.25 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 124.16 0.984 . . . . 0.0 108.628 179.069 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 9.6 t -157.26 162.3 39.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.785 0.326 . . . . 0.0 110.378 173.036 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 37.0 t -134.71 90.97 2.71 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.642 -177.786 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -66.01 78.55 0.11 Allowed Glycine 0 C--N 1.332 0.337 0 N-CA-C 111.579 -0.609 . . . . 0.0 111.579 173.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 8.2 tpt180 -176.94 -51.28 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 -176.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.4 ' SG ' ' HB2' ' A' ' 44' ' ' TYR . 14.3 p -127.26 4.82 6.34 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.668 178.612 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 77.25 12.37 84.66 Favored Glycine 0 C--N 1.335 0.527 0 C-N-CA 121.01 -0.614 . . . . 0.0 113.207 175.124 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.4 ' HB2' ' SG ' ' A' ' 42' ' ' CYS . 51.3 t80 -69.91 111.25 5.5 Favored 'General case' 0 C--O 1.236 0.384 0 N-CA-C 109.67 -0.492 . . . . 0.0 109.67 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.447 HG23 ' O ' ' A' ' 37' ' ' TYR . 98.9 m -124.53 135.91 53.56 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.682 179.147 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -141.8 147.23 36.94 Favored 'General case' 0 C--O 1.22 -0.497 0 N-CA-C 108.608 -0.886 . . . . 0.0 108.608 -177.841 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -96.03 153.0 18.01 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 118.176 0.444 . . . . 0.0 111.625 -176.148 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 67.9 mmtt -67.14 90.39 0.2 Allowed 'General case' 0 C--O 1.234 0.279 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 171.212 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -62.26 118.06 6.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.166 -175.319 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.77 123.98 19.46 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.388 177.414 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.7 mmmp? -79.3 95.24 5.64 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.93 -0.396 . . . . 0.0 109.93 -177.689 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -74.08 80.6 1.73 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.313 0.578 . . . . 0.0 110.677 -178.513 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 31.9 p -95.26 145.49 25.03 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.556 -0.747 . . . . 0.0 109.625 175.805 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.445 ' HB2' ' NZ ' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -61.86 -24.23 66.77 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 120.966 0.412 . . . . 0.0 110.522 177.601 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.468 ' HB3' HG12 ' A' ' 9' ' ' ILE . 34.4 t . . . . . 0 C--O 1.249 1.028 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 175.274 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.4 ptt? . . . . . 0 N--CA 1.482 1.161 0 CA-C-O 120.664 0.269 . . . . 0.0 110.478 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 29.2 pt20 -141.07 147.78 39.14 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.217 -0.66 . . . . 0.0 109.217 175.019 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 58.0 pttt -121.93 144.41 48.88 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.918 0.389 . . . . 0.0 111.131 -174.867 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.409 HH11 ' HD3' ' A' ' 4' ' ' ARG . 25.8 mtm180 -77.74 90.13 4.02 Favored 'General case' 0 C--O 1.235 0.326 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 177.775 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -147.48 91.56 1.98 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.906 -175.086 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 85.8 mt -121.01 107.76 13.04 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.301 -179.438 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 93.4 m-85 -71.71 89.02 1.0 Allowed 'General case' 0 C--O 1.235 0.337 0 CA-C-O 121.161 0.505 . . . . 0.0 110.638 -179.304 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -79.64 175.48 10.58 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.253 -177.262 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 69.6 mt -135.21 99.92 2.58 Favored 'Isoleucine or valine' 0 C--O 1.234 0.282 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.156 -177.611 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -141.24 3.5 1.76 Allowed 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 120.741 0.305 . . . . 0.0 111.437 -179.508 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 11.3 p-10 -89.63 -161.76 0.81 Allowed 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 120.731 0.3 . . . . 0.0 110.825 -177.582 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 85.46 -46.71 3.7 Favored Glycine 0 C--N 1.333 0.406 0 C-N-CA 121.342 -0.456 . . . . 0.0 113.22 175.358 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 58.0 mttp -82.71 38.59 0.58 Allowed 'General case' 0 N--CA 1.467 0.417 0 CA-C-O 120.7 0.286 . . . . 0.0 111.626 -175.823 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.408 HD21 ' HB3' ' A' ' 53' ' ' SER . 99.3 mt -80.88 -34.52 33.52 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.732 0.301 . . . . 0.0 110.582 179.649 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 7.1 p -63.25 -31.5 52.99 Favored 'Isoleucine or valine' 0 C--O 1.235 0.296 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.937 177.646 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 38.2 ttm180 -158.94 111.03 2.18 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.996 -179.709 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.477 ' N ' ' HD2' ' A' ' 17' ' ' LYS . 11.9 mptt -73.89 96.6 2.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.394 -176.059 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 76.4 m-70 -88.68 59.31 5.05 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.036 0.446 . . . . 0.0 110.832 176.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 91.5 mtt-85 -94.23 98.61 11.06 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 175.536 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 75.7 m-85 -73.14 165.07 25.73 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.361 -176.402 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.403 ' O ' ' N ' ' A' ' 25' ' ' GLY . 42.6 t -71.0 125.44 92.01 Favored Pre-proline 0 C--N 1.328 -0.361 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 -179.693 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -44.63 -46.64 12.16 Favored 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 122.785 2.323 . . . . 0.0 113.407 -171.87 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 29.6 mmt85 -87.7 -44.59 11.06 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 112.021 -175.711 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.471 ' HB3' ' HB ' ' A' ' 28' ' ' VAL . 5.6 m -87.63 -0.76 57.32 Favored 'General case' 0 N--CA 1.473 0.724 0 N-CA-C 111.828 0.307 . . . . 0.0 111.828 -175.185 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 21' ' ' CYS . . . -38.28 -62.04 1.14 Allowed Glycine 0 N--CA 1.464 0.54 0 O-C-N 123.607 0.567 . . . . 0.0 114.23 -171.673 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 26.8 Cg_exo -63.09 81.63 0.11 Allowed 'Trans proline' 0 CA--C 1.534 0.504 0 C-N-CA 122.577 2.184 . . . . 0.0 112.218 177.577 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 125.59 -24.84 5.75 Favored Glycine 0 CA--C 1.519 0.34 0 C-N-CA 121.35 -0.452 . . . . 0.0 112.954 176.41 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.471 ' HB ' ' HB3' ' A' ' 24' ' ' CYS . 43.0 t -132.76 109.67 14.74 Favored 'Isoleucine or valine' 0 C--O 1.238 0.49 0 CA-C-O 121.019 0.438 . . . . 0.0 111.016 -178.851 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 31.8 p90 -71.12 -171.94 0.63 Allowed 'General case' 0 C--O 1.236 0.358 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.979 177.13 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 36.4 tp -110.23 113.85 26.85 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 176.58 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.91 112.82 3.09 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-O 120.865 0.364 . . . . 0.0 110.73 -176.316 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -90.65 116.76 28.78 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.577 -179.051 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 66.0 m-70 -112.34 152.58 28.4 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 175.02 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -53.83 -31.48 49.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.868 0.366 . . . . 0.0 111.675 -176.42 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 28.9 m-20 -89.69 -34.82 16.11 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.79 -178.038 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 13.0 ptp180 -167.54 171.42 10.36 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 121.121 0.486 . . . . 0.0 111.551 -169.083 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 88.2 m-85 -98.34 153.09 18.79 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.714 -0.676 . . . . 0.0 109.235 173.078 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.454 ' HA ' ' HA ' ' A' ' 45' ' ' THR . 22.1 t -152.96 163.01 40.62 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.083 0.468 . . . . 0.0 110.523 178.667 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 35.1 t -138.97 91.19 2.5 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.017 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -65.72 75.64 0.11 Allowed Glycine 0 N--CA 1.451 -0.318 0 O-C-N 123.628 0.58 . . . . 0.0 111.944 175.761 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 11.8 tpt180 -171.45 -54.43 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.338 -0.615 . . . . 0.0 109.338 -179.034 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 25.4 p -114.59 -7.51 12.77 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.743 176.539 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 83.75 21.24 58.21 Favored Glycine 0 C--N 1.336 0.577 0 C-N-CA 121.036 -0.602 . . . . 0.0 113.034 178.074 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 62.5 t80 -71.89 102.92 3.02 Favored 'General case' 0 C--O 1.235 0.305 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 175.131 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.454 ' HA ' ' HA ' ' A' ' 38' ' ' SER . 53.7 m -128.93 114.05 15.97 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.818 -177.598 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -134.54 138.59 44.76 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.054 -0.521 . . . . 0.0 109.772 -174.395 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -63.38 157.49 22.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.536 -175.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 38.1 mmtt -52.99 95.59 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.293 0 CA-C-O 121.282 0.563 . . . . 0.0 110.177 172.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -130.04 32.08 4.58 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.193 -0.912 . . . . 0.0 109.121 -176.671 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -72.52 136.99 46.01 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-N 115.154 -0.93 . . . . 0.0 110.891 -176.583 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 30.5 mmmt -98.68 152.81 19.24 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.19 177.121 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.641 ' HD3' ' N ' ' A' ' 53' ' ' SER . 12.7 tmtt? -79.37 154.43 29.02 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.458 -0.941 . . . . 0.0 108.458 177.325 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.641 ' N ' ' HD3' ' A' ' 52' ' ' LYS . 20.0 p -57.14 127.4 31.74 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 120.859 0.361 . . . . 0.0 110.907 -179.093 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 21.5 ptmt -78.54 160.35 27.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.506 178.879 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 47.3 p . . . . . 0 C--O 1.25 1.109 0 CA-C-O 118.723 -0.656 . . . . 0.0 109.439 176.535 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.614 ' SD ' ' N ' ' A' ' 1' ' ' MET . 0.8 OUTLIER . . . . . 0 N--CA 1.48 1.069 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 29.5 pt20 -82.14 134.87 35.35 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.345 -176.296 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -141.94 118.41 10.91 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.815 177.428 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 52.9 ttt85 -82.07 -8.75 59.68 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-O 120.97 0.414 . . . . 0.0 110.641 -179.262 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -121.22 78.18 1.39 Allowed 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 176.589 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 95.0 mt -82.15 108.5 15.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.603 179.051 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 80.8 m-85 62.06 -172.0 0.15 Allowed 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 121.408 0.623 . . . . 0.0 111.598 175.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -113.47 107.84 16.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.921 178.03 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 12.6 pt -69.67 133.78 31.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.579 178.418 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.08 118.96 14.53 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.131 -177.69 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -147.18 150.7 35.45 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.074 -0.512 . . . . 0.0 109.951 177.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 117.25 52.17 0.34 Allowed Glycine 0 C--N 1.328 0.128 0 N-CA-C 111.603 -0.599 . . . . 0.0 111.603 -178.004 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 22.7 pttp -78.24 152.65 32.46 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-O 121.082 0.468 . . . . 0.0 111.232 -178.024 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 95.2 mt -123.2 173.58 7.81 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.651 177.136 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 26.6 m -77.89 3.24 1.62 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.36 0 N-CA-C 111.788 0.292 . . . . 0.0 111.788 -176.451 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 59.1 ttt180 -70.28 118.09 12.66 Favored 'General case' 0 C--O 1.234 0.263 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 176.561 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 85.1 tttt -51.31 103.87 0.07 Allowed 'General case' 0 C--O 1.237 0.396 0 CA-C-O 121.463 0.649 . . . . 0.0 112.254 -172.855 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 69.8 m80 -119.59 166.15 13.53 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 114.953 -1.021 . . . . 0.0 108.34 170.737 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 35.2 mtp180 -117.0 154.06 31.58 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.885 0.374 . . . . 0.0 110.223 177.632 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 85.5 m-85 -115.06 143.86 44.54 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 175.172 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 43.3 t -69.64 122.8 86.98 Favored Pre-proline 0 C--N 1.324 -0.518 0 N-CA-C 109.708 -0.478 . . . . 0.0 109.708 -179.338 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -33.95 -46.9 0.47 Allowed 'Trans proline' 0 C--N 1.352 0.747 0 C-N-CA 124.004 3.136 . . . . 0.0 114.136 -171.528 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 23.7 mmm-85 -97.45 -48.91 5.1 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.905 -173.415 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 2.4 m -81.09 -0.4 39.83 Favored 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 111.536 0.198 . . . . 0.0 111.536 -176.078 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -37.05 -61.81 0.91 Allowed Glycine 0 C--N 1.339 0.717 0 O-C-N 123.549 0.531 . . . . 0.0 113.993 -174.091 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 22.9 Cg_exo -64.61 81.83 0.17 Allowed 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.503 2.135 . . . . 0.0 112.01 176.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 128.72 -25.76 4.66 Favored Glycine 0 C--N 1.33 0.203 0 CA-C-N 116.038 -0.528 . . . . 0.0 112.585 176.067 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 31.9 t -133.5 98.5 2.71 Favored 'Isoleucine or valine' 0 C--O 1.239 0.508 0 CA-C-O 120.959 0.409 . . . . 0.0 110.141 178.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 50.2 p90 -68.9 173.78 5.04 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.432 177.029 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.79 ' HG ' ' HB3' ' A' ' 37' ' ' TYR . 20.5 tp -94.84 101.42 13.23 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 178.245 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -54.81 111.42 0.82 Allowed 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.398 -174.704 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 51.4 tt0 -84.45 124.68 31.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.051 -177.393 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 74.6 m-70 -128.17 155.77 43.96 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 108.691 -0.855 . . . . 0.0 108.691 172.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.83 -27.57 66.74 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 120.885 0.374 . . . . 0.0 111.193 -177.269 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -80.43 -39.42 28.27 Favored 'General case' 0 C--O 1.238 0.499 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.752 178.386 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 34.7 ptt180 -175.92 171.63 2.59 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.119 -170.628 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.79 ' HB3' ' HG ' ' A' ' 30' ' ' LEU . 52.9 m-85 -98.23 149.51 22.49 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.261 -1.015 . . . . 0.0 108.261 169.577 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 7.9 t -151.94 163.04 40.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.839 0.352 . . . . 0.0 110.558 177.479 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 23.4 t -130.05 118.81 22.12 Favored 'General case' 0 CA--C 1.511 -0.546 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.499 -175.638 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.562 ' O ' ' HB2' ' A' ' 41' ' ' ARG . . . -60.44 157.12 29.52 Favored Glycine 0 N--CA 1.444 -0.832 0 C-N-CA 120.282 -0.961 . . . . 0.0 110.919 169.026 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.562 ' HB2' ' O ' ' A' ' 40' ' ' GLY . 9.8 mpt_? 84.27 -51.83 0.12 Allowed 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 123.862 0.865 . . . . 0.0 111.966 177.149 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 1.8 p -116.98 -7.08 11.4 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-N 119.311 0.96 . . . . 0.0 112.02 -178.177 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 69.78 19.9 75.46 Favored Glycine 0 C--N 1.332 0.334 0 C-N-CA 120.923 -0.656 . . . . 0.0 113.419 174.596 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 84.6 t80 -62.59 117.31 6.06 Favored 'General case' 0 C--O 1.232 0.174 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 175.607 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 70.8 m -121.14 144.85 48.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 123.407 0.442 . . . . 0.0 110.852 -177.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -145.39 114.13 6.83 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 179.328 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -66.96 149.5 50.54 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 112.616 0.598 . . . . 0.0 112.616 -171.874 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 31.6 mmtt -70.02 78.19 0.49 Allowed 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.037 179.595 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.483 ' NZ ' ' HB2' ' A' ' 49' ' ' LYS . 2.8 ttmp? -108.64 136.47 48.18 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 175.914 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -57.49 130.52 46.68 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 112.332 0.493 . . . . 0.0 112.332 -172.657 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.493 ' HA ' ' HE3' ' A' ' 51' ' ' LYS . 0.2 OUTLIER -85.68 105.72 16.44 Favored 'General case' 0 C--O 1.236 0.349 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 172.813 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 66.5 mttm 68.04 107.64 0.05 OUTLIER 'General case' 0 N--CA 1.465 0.279 0 O-C-N 123.817 0.698 . . . . 0.0 110.203 -176.011 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 17.9 p -127.91 179.88 5.32 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.029 -176.809 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -61.54 168.24 2.97 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.413 179.566 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 28.5 t . . . . . 0 C--O 1.25 1.083 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.05 -179.115 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.5 mtt . . . . . 0 N--CA 1.48 1.065 0 N-CA-C 110.048 -0.353 . . . . 0.0 110.048 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 69.81 109.83 0.05 Allowed 'General case' 0 CA--C 1.534 0.332 0 O-C-N 123.603 0.564 . . . . 0.0 110.565 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.402 ' H ' ' HD3' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -54.17 -30.84 50.9 Favored 'General case' 0 N--CA 1.467 0.423 0 N-CA-C 112.395 0.517 . . . . 0.0 112.395 -175.458 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.439 ' O ' ' HG3' ' A' ' 4' ' ' ARG . 16.9 ptt180 -87.54 106.23 17.85 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 121.607 0.717 . . . . 0.0 110.331 179.122 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -144.28 88.75 1.96 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.265 -0.88 . . . . 0.0 109.57 178.491 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 86.4 mt -114.43 91.59 3.67 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.196 -0.911 . . . . 0.0 110.055 -178.392 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 16.6 p90 -105.6 105.99 16.29 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.277 0.561 . . . . 0.0 109.897 178.275 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -153.52 122.11 6.32 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.444 -0.798 . . . . 0.0 109.886 179.141 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 23.4 pt -86.34 126.15 40.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 120.955 0.407 . . . . 0.0 110.891 -177.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -140.39 106.54 5.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.172 -179.229 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 11.5 p-10 -145.21 164.77 30.33 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.028 -178.228 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -87.18 109.05 3.41 Favored Glycine 0 C--N 1.33 0.207 0 C-N-CA 121.196 -0.526 . . . . 0.0 112.148 -179.214 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.554 ' HG2' HD13 ' A' ' 14' ' ' LEU . 87.0 tttt -147.57 130.92 16.59 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.711 -0.477 . . . . 0.0 109.711 -179.12 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.554 HD13 ' HG2' ' A' ' 13' ' ' LYS . 10.8 mp 58.31 36.81 25.85 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-O 121.225 0.536 . . . . 0.0 110.118 -174.28 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 98.6 t -102.94 -56.21 5.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.034 -177.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.48 -68.25 0.11 Allowed 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 121.202 -0.199 . . . . 0.0 111.042 -175.561 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 36.8 mtmm -69.86 78.51 0.46 Allowed 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.918 -170.869 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER 164.2 114.15 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 124.316 1.046 . . . . 0.0 109.194 175.409 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 52.6 mtp180 -75.54 141.38 42.99 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 175.651 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 77.3 m-85 -117.78 166.39 12.5 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 179.253 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.431 ' HB2' HD13 ' A' ' 30' ' ' LEU . 34.3 t -82.29 119.94 75.96 Favored Pre-proline 0 C--N 1.328 -0.328 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 -179.665 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_exo -41.95 -58.11 1.29 Allowed 'Trans proline' 0 C--N 1.349 0.575 0 C-N-CA 123.008 2.472 . . . . 0.0 113.469 -169.694 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 60.5 mtm180 -82.58 -35.59 26.99 Favored 'General case' 0 CA--C 1.533 0.327 0 N-CA-C 112.53 0.567 . . . . 0.0 112.53 -173.381 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 9.3 m -86.39 -5.12 59.24 Favored 'General case' 0 N--CA 1.473 0.722 0 O-C-N 122.224 -0.297 . . . . 0.0 111.009 -179.241 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 21' ' ' CYS . . . -43.98 -63.83 2.15 Favored Glycine 0 C--N 1.335 0.51 0 O-C-N 123.569 0.543 . . . . 0.0 114.122 -170.434 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_endo -61.68 81.81 0.09 OUTLIER 'Trans proline' 0 CA--C 1.531 0.375 0 C-N-CA 122.435 2.09 . . . . 0.0 112.148 179.487 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 126.94 -25.11 5.32 Favored Glycine 0 CA--C 1.518 0.249 0 CA-C-N 115.93 -0.577 . . . . 0.0 112.61 177.385 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 22.0 t -126.68 100.13 6.26 Favored 'Isoleucine or valine' 0 C--O 1.237 0.416 0 CA-C-O 120.871 0.367 . . . . 0.0 110.687 -179.07 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 49.0 p90 -64.82 159.17 23.12 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.881 175.054 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.552 ' HG ' ' HB3' ' A' ' 37' ' ' TYR . 23.2 tp -91.75 117.89 30.18 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 179.502 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.38 101.82 0.12 Allowed 'General case' 0 C--O 1.235 0.291 0 CA-C-O 120.982 0.42 . . . . 0.0 110.988 -176.297 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -85.1 115.97 23.2 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.188 -177.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 19.0 m80 -113.05 155.5 24.76 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 108.467 -0.938 . . . . 0.0 108.467 172.402 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.56 -28.65 63.74 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-O 120.819 0.342 . . . . 0.0 111.414 -177.297 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -89.03 -33.15 17.26 Favored 'General case' 0 C--O 1.237 0.436 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.347 -178.016 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.453 ' HB2' ' O ' ' A' ' 46' ' ' GLU . 5.9 ptp180 -172.17 168.24 5.77 Favored 'General case' 0 N--CA 1.462 0.136 0 CA-C-O 121.073 0.463 . . . . 0.0 111.706 -168.473 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.552 ' HB3' ' HG ' ' A' ' 30' ' ' LEU . 95.4 m-85 -97.96 153.13 18.57 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.238 170.853 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 10.3 t -146.39 159.24 43.64 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.724 -0.472 . . . . 0.0 109.724 175.754 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.598 ' SG ' ' HB3' ' A' ' 41' ' ' ARG . 38.8 t -133.92 91.32 2.81 Favored 'General case' 0 C--O 1.236 0.377 0 N-CA-C 111.989 0.366 . . . . 0.0 111.989 -178.615 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -67.59 74.83 0.22 Allowed Glycine 0 C--N 1.332 0.342 0 N-CA-C 110.886 -0.886 . . . . 0.0 110.886 171.129 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.598 ' HB3' ' SG ' ' A' ' 39' ' ' CYS . 32.6 tpt180 -173.34 -37.19 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 -175.654 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 16.3 p -146.48 11.7 1.15 Allowed 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.565 174.536 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 75.6 3.5 72.57 Favored Glycine 0 C--N 1.337 0.629 0 CA-C-N 116.413 -0.358 . . . . 0.0 113.84 173.814 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 60.9 t80 -61.57 109.14 1.1 Allowed 'General case' 0 C--O 1.234 0.257 0 CA-C-N 117.254 0.527 . . . . 0.0 110.186 -178.171 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 32.9 m -126.89 119.17 26.12 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.19 -178.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.453 ' O ' ' HB2' ' A' ' 36' ' ' ARG . 26.5 tt0 -122.15 140.34 52.68 Favored 'General case' 0 C--O 1.224 -0.283 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 -178.743 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 69.1 m-85 -77.26 141.88 39.76 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 110.46 -0.2 . . . . 0.0 110.46 177.793 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 43.6 mmtt -54.33 102.91 0.07 Allowed 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.602 178.435 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.727 ' HA ' ' HE2' ' A' ' 49' ' ' LYS . 10.8 mmpt? -69.19 90.66 0.49 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.254 0.55 . . . . 0.0 110.089 178.33 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -109.3 28.16 8.8 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 115.293 -0.867 . . . . 0.0 110.397 -178.044 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.552 ' HA ' ' HE3' ' A' ' 51' ' ' LYS . 1.8 tpmt? -54.37 -37.47 65.0 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 115.648 -0.706 . . . . 0.0 109.87 176.562 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt 55.39 86.57 0.06 Allowed 'General case' 0 C--O 1.234 0.262 0 CA-C-N 114.786 -1.097 . . . . 0.0 111.016 178.367 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 37.7 m -142.17 -174.02 3.99 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.365 -0.834 . . . . 0.0 109.345 179.502 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.531 ' N ' ' HD2' ' A' ' 54' ' ' LYS . 11.8 mptt -69.82 117.83 11.91 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 179.269 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 46.8 m . . . . . 0 C--O 1.249 1.026 0 O-C-N 124.169 0.918 . . . . 0.0 110.061 -172.923 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.9 ptt? . . . . . 0 N--CA 1.481 1.094 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 33.8 tt0 -169.85 86.14 0.13 Allowed 'General case' 0 C--O 1.234 0.286 0 CA-C-O 121.048 0.451 . . . . 0.0 110.157 179.374 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.661 ' HD3' ' H ' ' A' ' 3' ' ' LYS . 0.1 OUTLIER -85.34 134.89 34.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.553 -178.787 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 48.6 mtm180 -119.25 109.11 15.45 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 110.09 -0.337 . . . . 0.0 110.09 177.227 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -75.54 -50.97 14.02 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.187 -0.46 . . . . 0.0 109.844 179.225 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 91.8 mt 55.65 -166.82 0.1 Allowed 'General case' 0 C--O 1.236 0.358 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.291 177.677 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 16.3 p90 -144.18 93.61 2.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.306 0.574 . . . . 0.0 110.724 -176.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 6.5 mp0 -96.86 147.55 23.83 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.775 -0.648 . . . . 0.0 109.606 175.184 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 49.0 mm 66.51 100.69 0.04 OUTLIER 'Isoleucine or valine' 0 C--O 1.236 0.343 0 CA-C-O 121.248 0.547 . . . . 0.0 111.169 179.192 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -148.27 21.28 1.08 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.271 178.603 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -81.01 -52.68 7.16 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.068 -178.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -71.42 79.39 0.55 Allowed Glycine 0 N--CA 1.453 -0.215 0 CA-C-N 115.867 -0.606 . . . . 0.0 112.329 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 55.5 mtpt -96.66 151.29 19.76 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 122.526 0.33 . . . . 0.0 110.225 -178.679 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.421 ' N ' HD12 ' A' ' 14' ' ' LEU . 6.6 mp -82.6 93.14 7.26 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-O 120.891 0.377 . . . . 0.0 110.094 -178.899 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 7.3 p -117.42 131.31 70.53 Favored 'Isoleucine or valine' 0 C--O 1.235 0.302 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.097 -178.827 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.465 ' O ' ' HD3' ' A' ' 16' ' ' ARG . 1.3 tmt_? 74.82 -17.0 0.51 Allowed 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 123.437 0.695 . . . . 0.0 111.827 173.537 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 59.2 mttm -68.19 94.97 0.55 Allowed 'General case' 0 C--O 1.235 0.311 0 CA-C-O 120.737 0.304 . . . . 0.0 110.996 -178.572 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 26.3 p80 -160.99 99.22 1.21 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.301 0.572 . . . . 0.0 110.888 174.302 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 52.9 mtp180 -134.74 108.97 8.28 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 173.574 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.465 ' HB3' ' HA2' ' A' ' 25' ' ' GLY . 46.9 m-85 -72.88 167.58 20.69 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.122 0.487 . . . . 0.0 110.644 -179.362 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 45.3 t -67.52 128.37 93.57 Favored Pre-proline 0 C--N 1.324 -0.5 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.204 -178.765 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 65.4 Cg_exo -38.63 -49.68 2.51 Favored 'Trans proline' 0 C--N 1.352 0.74 0 C-N-CA 123.252 2.635 . . . . 0.0 113.696 -173.109 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 72.8 mtp180 -92.71 -52.0 4.83 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.711 -174.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.427 ' CB ' ' HB ' ' A' ' 28' ' ' VAL . 3.5 m -75.76 -0.79 22.18 Favored 'General case' 0 N--CA 1.474 0.732 0 N-CA-C 111.638 0.236 . . . . 0.0 111.638 -176.731 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.465 ' HA2' ' HB3' ' A' ' 20' ' ' PHE . . . -38.41 -64.73 0.81 Allowed Glycine 0 C--N 1.339 0.732 0 O-C-N 123.536 0.523 . . . . 0.0 114.306 -172.563 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 22.5 Cg_exo -64.23 85.14 0.15 Allowed 'Trans proline' 0 CA--C 1.534 0.493 0 C-N-CA 122.256 1.971 . . . . 0.0 111.977 178.13 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 124.48 -25.06 6.04 Favored Glycine 0 CA--C 1.517 0.165 0 C-N-CA 121.199 -0.524 . . . . 0.0 113.296 174.404 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.427 ' HB ' ' CB ' ' A' ' 24' ' ' CYS . 27.4 t -126.94 112.11 27.93 Favored 'Isoleucine or valine' 0 C--O 1.237 0.416 0 CA-C-N 117.088 0.444 . . . . 0.0 110.168 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 35.8 p90 -67.23 174.01 3.5 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.438 -179.019 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.445 ' HG ' ' HB3' ' A' ' 37' ' ' TYR . 32.7 tp -113.3 111.57 22.25 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 173.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.84 95.83 0.12 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.296 -175.113 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -80.35 117.29 20.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.619 178.788 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 93.3 m-70 -120.06 156.84 30.14 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 173.055 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.3 -25.02 63.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.108 0.48 . . . . 0.0 110.477 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -76.75 -45.22 29.98 Favored 'General case' 0 C--O 1.237 0.437 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.607 176.326 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.435 ' HB2' ' O ' ' A' ' 46' ' ' GLU . 16.8 ptt180 179.38 172.96 0.87 Allowed 'General case' 0 CA--C 1.529 0.165 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.229 -170.658 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.445 ' HB3' ' HG ' ' A' ' 30' ' ' LEU . 13.9 m-85 -98.31 140.62 32.32 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 108.971 -0.752 . . . . 0.0 108.971 175.295 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 8.2 t -135.97 159.73 40.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.734 0.302 . . . . 0.0 110.475 179.699 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.611 ' SG ' ' O ' ' A' ' 40' ' ' GLY . 41.9 t -143.54 121.04 11.72 Favored 'General case' 0 CA--C 1.512 -0.516 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.798 -179.596 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.611 ' O ' ' SG ' ' A' ' 39' ' ' CYS . . . -65.95 179.3 11.03 Favored Glycine 0 N--CA 1.446 -0.652 0 N-CA-C 110.076 -1.21 . . . . 0.0 110.076 163.728 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.472 ' HB2' ' O ' ' A' ' 40' ' ' GLY . 9.2 mpt_? 74.28 -46.76 0.62 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 117.182 0.491 . . . . 0.0 111.79 178.398 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.431 ' SG ' ' HB2' ' A' ' 44' ' ' TYR . 8.4 p -129.34 -5.87 4.81 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 119.759 -0.776 . . . . 0.0 112.653 179.785 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 70.76 20.12 77.24 Favored Glycine 0 C--N 1.333 0.39 0 C-N-CA 120.443 -0.884 . . . . 0.0 112.783 174.581 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.431 ' HB2' ' SG ' ' A' ' 42' ' ' CYS . 77.0 t80 -66.99 118.8 10.95 Favored 'General case' 0 C--O 1.234 0.254 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 177.435 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 35.1 m -133.52 118.79 18.73 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.517 -179.429 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.435 ' O ' ' HB2' ' A' ' 36' ' ' ARG . 9.7 tp10 -119.59 140.66 50.22 Favored 'General case' 0 C--O 1.224 -0.285 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 178.181 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -81.84 152.72 26.76 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.767 0.318 . . . . 0.0 111.511 -175.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 47.0 mmtt -65.59 88.12 0.09 Allowed 'General case' 0 C--O 1.235 0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.174 175.316 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 18.0 ptpt -120.89 146.27 46.78 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.785 178.887 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -105.09 8.1 34.11 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.117 -176.323 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 3.4 tppp? 65.92 17.78 10.91 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-O 121.634 0.731 . . . . 0.0 109.776 -178.534 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 60.0 pttt -73.17 144.77 46.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.513 -177.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 16.5 m -125.21 130.03 51.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.422 -0.353 . . . . 0.0 110.53 -178.464 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -89.48 117.5 28.44 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.393 178.653 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 21.7 p . . . . . 0 C--O 1.252 1.193 0 CA-C-O 118.934 -0.555 . . . . 0.0 109.993 177.782 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.2 tpt . . . . . 0 N--CA 1.481 1.091 0 N-CA-C 110.166 -0.309 . . . . 0.0 110.166 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 24.6 tt0 -76.51 58.7 1.38 Allowed 'General case' 0 CA--C 1.537 0.46 0 CA-C-O 121.254 0.55 . . . . 0.0 110.543 178.606 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -151.17 155.53 39.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.742 -179.281 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 15.5 ptm180 -62.76 83.82 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.186 0.517 . . . . 0.0 110.643 176.007 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -83.85 -58.02 2.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.427 179.582 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.0 pp -164.8 161.44 20.44 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.485 -179.049 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 93.7 m-85 -120.78 100.02 6.86 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.7 -0.482 . . . . 0.0 109.7 178.499 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -108.09 127.8 54.12 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.173 -175.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 25.3 pt -134.16 126.43 49.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 174.036 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -86.51 111.58 20.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.788 -178.262 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 28.9 m-20 -94.21 -178.91 4.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.23 178.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 94.64 -34.86 4.5 Favored Glycine 0 C--N 1.329 0.189 0 C-N-CA 121.247 -0.501 . . . . 0.0 112.19 178.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 62.0 tttp 67.52 108.31 0.04 OUTLIER 'General case' 0 C--O 1.235 0.32 0 C-N-CA 123.129 0.571 . . . . 0.0 111.058 178.84 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.423 HD12 ' O ' ' A' ' 14' ' ' LEU . 0.7 OUTLIER -82.13 90.79 6.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.778 0.799 . . . . 0.0 111.009 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 26.9 m -84.38 114.89 25.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.751 -0.659 . . . . 0.0 109.92 177.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.42 HH11 ' HD3' ' A' ' 16' ' ' ARG . 43.7 mmt-85 -125.44 164.72 19.84 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.395 -177.858 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -68.79 -61.27 1.88 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.198 179.021 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 74.1 m-70 59.71 168.47 0.07 Allowed 'General case' 0 C--O 1.233 0.223 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.432 -173.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 84.0 mtt-85 -138.28 149.75 45.99 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.258 0.551 . . . . 0.0 111.183 -179.612 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 93.8 m-85 -98.08 138.49 35.31 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 107.855 -1.165 . . . . 0.0 107.855 168.816 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 42.1 t -61.13 127.98 88.75 Favored Pre-proline 0 C--N 1.324 -0.532 0 C-N-CA 121.195 -0.202 . . . . 0.0 110.658 -174.426 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -37.9 -47.66 2.11 Favored 'Trans proline' 0 C--N 1.354 0.821 0 C-N-CA 123.569 2.846 . . . . 0.0 113.521 -173.672 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 20.9 mmt180 -97.34 -51.43 4.17 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.562 -175.652 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.48 ' HB3' ' HB ' ' A' ' 28' ' ' VAL . 5.3 m -73.15 -1.68 18.53 Favored 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 111.848 0.314 . . . . 0.0 111.848 -176.595 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -33.78 -66.4 0.27 Allowed Glycine 0 C--N 1.34 0.783 0 O-C-N 123.763 0.665 . . . . 0.0 114.678 -171.252 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_exo -56.57 93.14 0.05 OUTLIER 'Trans proline' 0 C--O 1.235 0.372 0 C-N-CA 122.452 2.101 . . . . 0.0 112.214 179.603 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 106.51 -24.35 26.04 Favored Glycine 0 CA--C 1.519 0.316 0 CA-C-N 116.055 -0.52 . . . . 0.0 113.003 178.331 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.48 ' HB ' ' HB3' ' A' ' 24' ' ' CYS . 54.9 t -130.71 102.46 6.65 Favored 'Isoleucine or valine' 0 C--O 1.237 0.447 0 CA-C-O 121.136 0.493 . . . . 0.0 110.821 -178.818 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 41.9 p90 -71.03 -165.79 0.13 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.844 177.861 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 42.7 tp -118.77 109.75 16.43 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 175.713 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.2 102.98 0.19 Allowed 'General case' 0 C--O 1.236 0.344 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.882 -175.751 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -88.04 111.36 21.44 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.49 179.613 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 80.8 m-70 -106.39 153.13 22.69 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 173.697 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.38 -24.44 44.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.185 0.516 . . . . 0.0 110.655 179.672 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -82.31 -41.42 20.11 Favored 'General case' 0 C--O 1.237 0.441 0 CA-C-N 115.472 -0.785 . . . . 0.0 111.097 179.652 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 26.3 ptt-85 -179.59 177.94 0.69 Allowed 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.252 -174.075 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 57.4 m-85 -96.79 150.87 20.22 Favored 'General case' 0 C--O 1.235 0.31 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 176.363 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 47.1 t -148.75 151.28 34.56 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 110.088 -0.338 . . . . 0.0 110.088 -179.222 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.481 ' SG ' ' HB3' ' A' ' 41' ' ' ARG . 26.1 t -141.32 94.61 2.71 Favored 'General case' 0 C--O 1.237 0.428 0 N-CA-C 111.997 0.369 . . . . 0.0 111.997 177.633 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -68.49 74.42 0.3 Allowed Glycine 0 N--CA 1.45 -0.4 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 172.003 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.481 ' HB3' ' SG ' ' A' ' 39' ' ' CYS . 24.7 tpt180 -173.34 -30.1 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 -176.063 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 22.1 p -150.12 3.82 0.53 Allowed 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.461 174.48 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 77.6 17.39 79.02 Favored Glycine 0 C--N 1.339 0.715 0 C-N-CA 121.23 -0.509 . . . . 0.0 113.533 175.057 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 44.8 t80 -63.62 118.94 8.94 Favored 'General case' 0 C--O 1.236 0.388 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 178.007 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 16.8 m -132.85 131.24 40.76 Favored 'General case' 0 C--N 1.328 -0.359 0 O-C-N 123.685 0.616 . . . . 0.0 109.725 -179.24 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -142.58 122.03 13.21 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 110.035 -0.357 . . . . 0.0 110.035 -178.483 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 71.9 m-85 -69.2 145.85 52.87 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.73 0.3 . . . . 0.0 111.413 -177.194 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 54.5 mmtt -75.5 73.54 2.53 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.152 176.134 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 59.5 tttm -90.04 162.76 15.2 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.355 178.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -69.5 75.29 0.4 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.166 0.507 . . . . 0.0 110.879 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.543 ' HA ' ' HE3' ' A' ' 51' ' ' LYS . 1.9 tpmt? -73.56 -37.61 65.49 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.923 -0.58 . . . . 0.0 109.9 178.755 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 40.3 tptt -127.33 90.2 3.09 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 177.021 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 14.1 m -78.93 -71.75 0.42 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.02 -0.537 . . . . 0.0 111.711 -169.537 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.543 ' HB3' ' NZ ' ' A' ' 54' ' ' LYS . 5.3 ttpm? -102.67 38.29 1.75 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.229 0.538 . . . . 0.0 109.706 -174.427 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 32.7 m . . . . . 0 C--O 1.251 1.157 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.846 -174.695 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.1 tmt? . . . . . 0 N--CA 1.482 1.136 0 N-CA-C 110.16 -0.311 . . . . 0.0 110.16 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 58.2 tt0 -78.21 118.44 20.44 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-O 120.811 0.339 . . . . 0.0 110.507 177.889 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -94.1 -50.96 5.05 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.192 177.424 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 14.6 ptp180 -95.39 138.16 33.46 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.169 -176.803 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -140.37 -42.31 0.41 Allowed 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 174.063 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 7.7 mp 57.2 96.4 0.02 OUTLIER 'General case' 0 C--O 1.236 0.354 0 CA-C-N 115.574 -0.739 . . . . 0.0 112.459 174.624 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 78.5 m-85 -75.57 102.86 5.44 Favored 'General case' 0 C--O 1.236 0.375 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 169.662 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -82.02 115.64 21.26 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.154 -175.144 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 35.4 pt -73.76 158.51 5.98 Favored 'Isoleucine or valine' 0 C--O 1.236 0.386 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.087 -177.599 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -161.27 96.12 1.06 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.093 -179.608 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -146.86 155.36 42.26 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.941 0.401 . . . . 0.0 110.465 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -160.68 40.58 0.43 Allowed Glycine 0 N--CA 1.45 -0.389 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 177.066 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 22.9 pttp -157.93 168.43 27.16 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.484 -0.358 . . . . 0.0 110.038 -178.262 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.601 HD13 ' HG3' ' A' ' 16' ' ' ARG . 1.1 pp -62.02 149.22 41.54 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.692 177.422 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 34.4 m -99.24 -26.42 3.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.876 -179.386 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.601 ' HG3' HD13 ' A' ' 14' ' ' LEU . 70.7 mtt180 64.94 162.16 0.13 Allowed 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 121.454 0.645 . . . . 0.0 111.517 -178.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 27.0 mtpp -91.61 97.53 11.09 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 175.18 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 15.8 p80 -74.25 85.53 1.92 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.228 -0.896 . . . . 0.0 111.821 -172.688 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 25.3 mtm180 -78.16 102.14 7.4 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 173.565 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.466 ' HB3' ' HA2' ' A' ' 25' ' ' GLY . 49.0 m-85 -85.69 156.64 20.57 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 110.07 -0.345 . . . . 0.0 110.07 177.918 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.472 ' O ' ' N ' ' A' ' 25' ' ' GLY . 51.7 t -62.55 114.52 12.29 Favored Pre-proline 0 C--O 1.224 -0.276 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 -179.447 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_exo -37.72 -54.92 1.18 Allowed 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 123.319 2.679 . . . . 0.0 113.825 -164.738 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 61.4 mtm180 -82.8 -33.37 27.29 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 112.523 0.564 . . . . 0.0 112.523 -173.352 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.462 ' HB3' ' HB ' ' A' ' 28' ' ' VAL . 9.8 m -90.03 -6.82 55.16 Favored 'General case' 0 N--CA 1.473 0.718 0 O-C-N 122.064 -0.397 . . . . 0.0 111.004 178.838 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 21' ' ' CYS . . . -42.0 -65.32 1.27 Allowed Glycine 0 C--N 1.335 0.474 0 O-C-N 123.787 0.679 . . . . 0.0 114.604 -166.327 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_endo -64.74 79.7 0.18 Allowed 'Trans proline' 0 C--O 1.235 0.368 0 C-N-CA 122.338 2.026 . . . . 0.0 112.052 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 131.23 -19.41 4.87 Favored Glycine 0 C--N 1.33 0.223 0 C-N-CA 121.109 -0.567 . . . . 0.0 113.156 178.474 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.462 ' HB ' ' HB3' ' A' ' 24' ' ' CYS . 40.5 t -133.45 105.44 7.79 Favored 'Isoleucine or valine' 0 C--O 1.237 0.425 0 CA-C-N 117.136 0.468 . . . . 0.0 110.446 178.663 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.418 ' HA ' ' CD1' ' A' ' 20' ' ' PHE . 18.8 p90 -62.75 160.63 13.95 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.372 178.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 47.4 tp -104.56 102.82 12.43 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.517 -0.92 . . . . 0.0 108.517 174.064 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.419 ' HB3' ' OG ' ' A' ' 38' ' ' SER . . . -60.9 98.31 0.07 Allowed 'General case' 0 C--O 1.237 0.41 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.027 -175.608 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -77.96 116.48 18.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.726 179.1 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 74.1 m-70 -110.51 154.32 23.84 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 108.427 -0.953 . . . . 0.0 108.427 172.435 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.441 ' O ' ' HG3' ' A' ' 48' ' ' LYS . . . -58.14 -26.27 62.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.081 0.467 . . . . 0.0 110.897 -177.854 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -84.88 -39.23 18.49 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.974 179.738 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.453 ' HB3' ' HA ' ' A' ' 47' ' ' PHE . 36.5 ptt180 -174.03 168.96 4.1 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 121.062 0.458 . . . . 0.0 111.407 -173.16 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 -97.74 144.43 27.37 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 108.739 -0.837 . . . . 0.0 108.739 177.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.419 ' OG ' ' HB3' ' A' ' 31' ' ' ALA . 61.1 p -135.94 147.55 48.14 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.913 0.387 . . . . 0.0 111.279 -175.907 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 18.4 t -133.81 86.13 2.26 Favored 'General case' 0 C--O 1.239 0.517 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.684 175.604 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -65.02 77.2 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.386 0 N-CA-C 111.462 -0.655 . . . . 0.0 111.462 174.59 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 3.8 tpt180 -168.98 -60.83 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 -177.477 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 20.5 p -108.02 -12.05 15.21 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.105 174.638 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 85.76 26.27 35.6 Favored Glycine 0 C--N 1.334 0.438 0 C-N-CA 120.93 -0.652 . . . . 0.0 112.387 179.484 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 78.6 t80 -76.5 112.04 12.61 Favored 'General case' 0 C--O 1.236 0.385 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 175.736 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 30.0 m -130.29 125.54 35.01 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.871 -178.344 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -128.42 119.18 24.46 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.327 -175.132 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.453 ' HA ' ' HB3' ' A' ' 36' ' ' ARG . 75.9 m-85 -64.73 146.98 54.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.811 0.339 . . . . 0.0 110.82 178.287 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.441 ' HG3' ' O ' ' A' ' 34' ' ' ALA . 48.5 mmtt -58.86 107.53 0.54 Allowed 'General case' 0 C--O 1.234 0.251 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.395 -179.575 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 24.3 pttm -124.9 118.86 27.23 Favored 'General case' 0 C--O 1.235 0.305 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 172.238 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -84.49 101.09 11.79 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.495 -178.062 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 33.1 ttmt -73.69 96.0 2.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.08 0.467 . . . . 0.0 110.872 -179.546 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 56.0 mtpt -84.63 -19.01 33.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.683 -0.69 . . . . 0.0 109.944 177.471 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 19.1 m -69.51 98.08 1.09 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.948 179.425 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 21.8 pttp -103.88 -36.08 7.93 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.957 0.408 . . . . 0.0 110.435 177.693 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 16.0 m . . . . . 0 C--O 1.253 1.287 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.506 -174.998 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.407 ' C ' ' SD ' ' A' ' 1' ' ' MET . 0.8 OUTLIER . . . . . 0 N--CA 1.479 1.0 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -83.25 130.44 35.08 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.47 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -82.72 -177.91 6.9 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.975 0.416 . . . . 0.0 110.676 179.358 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.418 HH11 ' HD3' ' A' ' 4' ' ' ARG . 10.0 ptp180 -78.25 66.04 3.74 Favored 'General case' 0 CA--C 1.536 0.404 0 CA-C-O 121.38 0.61 . . . . 0.0 111.197 -174.836 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -73.8 -86.73 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.882 -178.749 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 97.2 mt -149.64 -176.14 5.29 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.208 -173.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 26.6 p90 -140.62 124.2 16.99 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.378 175.266 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -75.39 142.43 43.09 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 121.043 0.449 . . . . 0.0 111.087 -175.584 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 26.5 pt -127.04 -177.85 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.173 -179.225 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -95.79 95.99 8.66 Favored 'General case' 0 CA--C 1.533 0.293 0 N-CA-C 111.75 0.278 . . . . 0.0 111.75 -175.472 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -111.22 -63.31 1.42 Allowed 'General case' 0 N--CA 1.467 0.424 0 CA-C-O 121.206 0.527 . . . . 0.0 109.599 173.534 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -93.69 -13.6 54.82 Favored Glycine 0 C--N 1.333 0.408 0 CA-C-N 115.549 -0.751 . . . . 0.0 112.342 -178.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 62.5 tttp -68.98 95.46 0.71 Allowed 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 176.315 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 95.9 mt 62.82 -82.03 0.02 OUTLIER 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.202 -172.531 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 17.0 m -157.47 171.81 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 N-CA-C 108.922 -0.769 . . . . 0.0 108.922 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -72.59 71.79 0.99 Allowed 'General case' 0 C--O 1.235 0.297 0 CA-C-O 121.708 0.766 . . . . 0.0 109.053 170.825 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 12.6 tmtt? -76.62 85.51 3.29 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 114.846 -1.07 . . . . 0.0 109.88 -174.447 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 46.5 m-70 -150.47 152.12 33.77 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.32 174.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -137.6 170.52 15.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.741 0.305 . . . . 0.0 110.226 179.044 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 85.4 m-85 -96.49 166.17 11.82 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.092 0.473 . . . . 0.0 111.093 -176.585 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.432 ' O ' ' N ' ' A' ' 25' ' ' GLY . 43.8 t -77.85 121.36 84.04 Favored Pre-proline 0 C--O 1.222 -0.384 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 175.146 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_exo -40.51 -50.67 3.7 Favored 'Trans proline' 0 C--N 1.347 0.488 0 C-N-CA 122.916 2.411 . . . . 0.0 113.434 -171.426 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 26.3 mmt180 -79.86 -55.54 4.91 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.169 -175.207 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.447 ' CB ' ' HB ' ' A' ' 28' ' ' VAL . 4.1 m -77.66 -1.67 32.18 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.7 -176.072 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 21' ' ' CYS . . . -41.4 -58.69 2.85 Favored Glycine 0 C--N 1.334 0.472 0 O-C-N 123.583 0.552 . . . . 0.0 114.167 -170.896 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_endo -66.84 80.14 0.36 Allowed 'Trans proline' 0 CA--C 1.532 0.414 0 C-N-CA 122.24 1.96 . . . . 0.0 111.495 176.534 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 131.1 -24.99 4.17 Favored Glycine 0 C--N 1.334 0.47 0 CA-C-N 115.877 -0.602 . . . . 0.0 112.822 177.332 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.447 ' HB ' ' CB ' ' A' ' 24' ' ' CYS . 93.3 t -135.29 121.75 33.27 Favored 'Isoleucine or valine' 0 C--O 1.236 0.358 0 CA-C-O 120.879 0.371 . . . . 0.0 110.665 -178.79 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 50.7 p90 -74.49 -166.92 0.48 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.945 178.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 32.4 tp -133.91 107.86 8.08 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 176.336 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.85 99.74 0.36 Allowed 'General case' 0 C--O 1.234 0.237 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.152 -174.124 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -85.04 91.81 8.19 Favored 'General case' 0 C--O 1.237 0.414 0 CA-C-O 121.263 0.554 . . . . 0.0 110.148 178.761 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 -82.99 159.82 22.14 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.573 -0.739 . . . . 0.0 109.227 176.283 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.63 -18.4 53.13 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-O 120.791 0.329 . . . . 0.0 111.184 -179.204 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -86.65 -41.06 14.52 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.805 177.389 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.558 ' HA ' ' HG2' ' A' ' 48' ' ' LYS . 13.9 ptt180 178.32 -175.32 0.18 Allowed 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.424 -174.21 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.547 ' HB2' ' HB3' ' A' ' 46' ' ' GLU . 66.6 m-85 -95.59 144.89 25.65 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 177.187 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 29.3 t -145.24 146.17 31.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.023 0.44 . . . . 0.0 110.547 178.142 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 34.6 t -130.02 92.18 3.26 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.154 179.118 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -66.24 72.38 0.14 Allowed Glycine 0 CA--C 1.519 0.296 0 O-C-N 123.706 0.629 . . . . 0.0 111.574 174.605 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 7.4 tpt180 -169.55 -41.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 -175.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.495 ' SG ' ' HB2' ' A' ' 44' ' ' TYR . 17.7 p -137.31 2.01 2.47 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.975 177.73 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 77.82 16.01 80.53 Favored Glycine 0 C--N 1.336 0.547 0 C-N-CA 121.006 -0.616 . . . . 0.0 112.711 177.387 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.495 ' HB2' ' SG ' ' A' ' 42' ' ' CYS . 51.1 t80 -65.58 105.27 1.17 Allowed 'General case' 0 C--O 1.236 0.347 0 N-CA-C 109.754 -0.461 . . . . 0.0 109.754 178.688 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 88.4 m -119.78 133.88 55.44 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.006 179.289 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.547 ' HB3' ' HB2' ' A' ' 37' ' ' TYR . 17.1 tp10 -133.3 112.55 11.75 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.924 -0.398 . . . . 0.0 109.924 -178.676 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 49.3 m-85 -54.57 148.66 11.95 Favored 'General case' 0 C--O 1.236 0.374 0 C-N-CA 122.54 0.336 . . . . 0.0 111.873 -177.29 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.558 ' HG2' ' HA ' ' A' ' 36' ' ' ARG . 33.9 mmtt -68.13 78.38 0.24 Allowed 'General case' 0 C--O 1.236 0.363 0 CA-C-O 121.202 0.525 . . . . 0.0 110.703 174.827 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 62.2 tttp -112.8 -14.04 13.13 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.444 -0.798 . . . . 0.0 108.901 171.826 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.74 90.91 0.06 Allowed 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 114.944 -1.025 . . . . 0.0 110.796 176.636 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.439 ' HB2' ' HE3' ' A' ' 51' ' ' LYS . 35.7 ttmt -119.12 -50.07 2.38 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 176.462 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -151.3 79.5 1.29 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.25 -0.887 . . . . 0.0 109.422 176.456 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 6.1 m -96.03 -54.73 3.21 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.798 178.314 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -151.92 106.66 3.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.97 -179.696 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 38.1 t . . . . . 0 C--O 1.25 1.123 0 CA-C-O 118.359 -0.829 . . . . 0.0 109.612 179.126 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 72.1 mtm . . . . . 0 N--CA 1.481 1.096 0 CA-C-O 120.878 0.371 . . . . 0.0 110.042 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -147.8 164.6 33.12 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.262 179.242 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 24.7 ttmm 68.77 100.64 0.06 Allowed 'General case' 0 C--O 1.235 0.322 0 O-C-N 124.02 0.825 . . . . 0.0 111.372 178.158 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.403 HH11 ' HD3' ' A' ' 4' ' ' ARG . 12.5 ttm180 -74.69 132.09 41.4 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 173.557 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -80.19 63.39 4.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.156 0.503 . . . . 0.0 111.207 -174.137 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 93.5 mt -80.25 -39.59 28.69 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.137 176.003 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 43.0 p90 -164.87 109.01 0.9 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.369 0.604 . . . . 0.0 110.602 176.435 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.416 ' H ' ' HG2' ' A' ' 8' ' ' GLU . 7.6 pt-20 -78.39 156.44 29.47 Favored 'General case' 0 C--O 1.238 0.485 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.426 176.819 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 26.7 pt -77.57 159.73 4.89 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-O 120.958 0.409 . . . . 0.0 111.312 -175.52 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.686 ' HA ' ' HG3' ' A' ' 49' ' ' LYS . . . -109.66 -29.9 8.14 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.156 176.041 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 30.2 t70 50.24 -93.12 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.162 -179.686 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 79.06 152.41 6.65 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 121.342 -0.456 . . . . 0.0 113.399 177.486 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.757 ' HG2' ' H ' ' A' ' 14' ' ' LEU . 74.8 tttt 67.56 -173.48 0.19 Allowed 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 123.079 0.552 . . . . 0.0 110.462 176.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.757 ' H ' ' HG2' ' A' ' 13' ' ' LYS . 3.6 mm? 75.25 130.47 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.375 0 C-N-CA 123.574 0.75 . . . . 0.0 110.592 -179.316 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 39.8 t -84.31 -29.3 7.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.876 -174.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 69.5 mtm180 -71.39 83.46 0.79 Allowed 'General case' 0 C--O 1.236 0.359 0 CA-C-O 121.072 0.463 . . . . 0.0 110.3 179.502 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 38.4 ttmt -85.34 63.92 8.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 122.021 0.915 . . . . 0.0 110.051 179.67 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 8.6 p80 -169.82 89.84 0.18 Allowed 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 107.337 -1.357 . . . . 0.0 107.337 173.623 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 28.1 mmt85 -89.61 163.71 15.05 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.287 -0.87 . . . . 0.0 111.65 -168.098 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 -107.22 146.76 31.02 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.207 -0.906 . . . . 0.0 108.982 174.626 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.465 ' O ' ' N ' ' A' ' 25' ' ' GLY . 45.0 t -72.82 125.5 91.13 Favored Pre-proline 0 C--N 1.322 -0.613 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 179.627 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 79.9 Cg_exo -35.53 -62.06 0.24 Allowed 'Trans proline' 0 C--N 1.349 0.592 0 C-N-CA 123.287 2.658 . . . . 0.0 113.75 -167.179 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 51.7 mtm180 -89.46 -27.85 20.08 Favored 'General case' 0 CA--C 1.536 0.421 0 N-CA-C 112.593 0.59 . . . . 0.0 112.593 -171.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.549 ' HB3' ' HB ' ' A' ' 28' ' ' VAL . 10.1 m -87.47 -8.72 56.11 Favored 'General case' 0 N--CA 1.473 0.719 0 O-C-N 122.097 -0.377 . . . . 0.0 110.543 178.412 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' A' ' 21' ' ' CYS . . . -41.12 -63.45 1.53 Allowed Glycine 0 C--N 1.336 0.555 0 O-C-N 123.958 0.786 . . . . 0.0 114.169 -167.766 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -58.62 90.15 0.06 OUTLIER 'Trans proline' 0 CA--C 1.531 0.337 0 C-N-CA 122.188 1.925 . . . . 0.0 111.486 177.005 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 114.21 -24.75 11.22 Favored Glycine 0 N--CA 1.452 -0.292 0 CA-C-N 115.829 -0.623 . . . . 0.0 112.873 177.33 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.549 ' HB ' ' HB3' ' A' ' 24' ' ' CYS . 21.2 t -133.39 103.27 5.42 Favored 'Isoleucine or valine' 0 C--O 1.236 0.387 0 CA-C-O 120.845 0.355 . . . . 0.0 110.257 -178.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 35.4 p90 -70.43 -176.21 1.18 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.267 -178.686 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.515 ' HG ' ' HB3' ' A' ' 37' ' ' TYR . 37.6 tp -113.4 105.32 13.24 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 108.928 -0.767 . . . . 0.0 108.928 175.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.78 104.08 0.26 Allowed 'General case' 0 C--O 1.234 0.257 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.408 -174.866 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.458 ' HG3' ' HE2' ' A' ' 48' ' ' LYS . 37.0 tt0 -79.24 133.24 36.67 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.396 179.645 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 92.9 m-70 -135.01 158.0 45.48 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 175.678 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -53.9 -36.9 63.2 Favored 'General case' 0 C--N 1.329 -0.299 0 O-C-N 123.27 0.356 . . . . 0.0 111.82 -175.744 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -82.07 -37.08 26.92 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.187 -178.587 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.659 ' HB2' ' O ' ' A' ' 46' ' ' GLU . 4.3 ptp180 -175.83 174.22 2.2 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.99 0.424 . . . . 0.0 111.588 -169.102 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.515 ' HB3' ' HG ' ' A' ' 30' ' ' LEU . 40.6 m-85 -98.13 151.49 20.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.089 175.478 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 19.5 t -141.74 155.95 45.61 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.851 0.358 . . . . 0.0 110.616 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.714 ' SG ' ' O ' ' A' ' 40' ' ' GLY . 40.6 t -147.0 123.88 11.3 Favored 'General case' 0 CA--C 1.516 -0.355 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.43 178.706 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.714 ' O ' ' SG ' ' A' ' 39' ' ' CYS . . . -68.59 -170.95 6.41 Favored Glycine 0 N--CA 1.447 -0.604 0 N-CA-C 109.006 -1.638 . . . . 0.0 109.006 161.666 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 7.0 tpt180 75.52 -52.29 0.64 Allowed 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 118.078 0.939 . . . . 0.0 110.682 175.387 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.555 ' SG ' ' HB2' ' A' ' 44' ' ' TYR . 14.6 p -126.5 -14.32 5.83 Favored 'General case' 0 N--CA 1.465 0.315 0 C-N-CA 120.522 -0.471 . . . . 0.0 111.996 178.093 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 84.16 14.15 72.51 Favored Glycine 0 C--N 1.335 0.475 0 C-N-CA 120.603 -0.808 . . . . 0.0 112.539 178.07 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.555 ' HB2' ' SG ' ' A' ' 42' ' ' CYS . 53.7 t80 -61.88 109.94 1.4 Allowed 'General case' 0 C--O 1.234 0.255 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 -179.338 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 29.6 m -122.65 106.96 11.43 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.647 177.571 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.659 ' O ' ' HB2' ' A' ' 36' ' ' ARG . 13.3 tp10 -107.35 163.9 12.65 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 -178.907 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 72.6 m-85 -100.99 152.19 20.87 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.102 0.477 . . . . 0.0 112.12 -173.662 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.458 ' HE2' ' HG3' ' A' ' 32' ' ' GLU . 14.2 mmtt -80.19 155.65 27.3 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.928 -178.21 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.686 ' HG3' ' HA ' ' A' ' 10' ' ' ALA . 74.1 mmtt -138.19 127.14 24.01 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 115.12 -0.946 . . . . 0.0 109.1 173.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -82.34 44.4 0.87 Allowed 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 121.011 0.434 . . . . 0.0 111.507 -175.661 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 17.1 tppt? -72.63 119.03 16.28 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.66 178.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 26.2 mtpp -91.88 103.95 16.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.798 175.746 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.428 ' HB3' ' HA ' ' A' ' 13' ' ' LYS . 30.9 p -68.48 100.78 1.14 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.319 179.444 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.81 165.44 26.46 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.492 -178.644 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 20.7 t . . . . . 0 C--O 1.249 1.057 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 178.186 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.6 mtt . . . . . 0 N--CA 1.483 1.218 0 CA-C-O 120.735 0.302 . . . . 0.0 110.569 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 50.2 mt-30 -83.28 131.34 35.09 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-O 120.885 0.374 . . . . 0.0 111.243 -177.496 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -97.74 105.36 17.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.312 172.875 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 15.5 ttm180 -74.38 88.11 2.06 Favored 'General case' 0 C--O 1.234 0.285 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 178.538 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -78.53 -69.66 0.55 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.028 -0.533 . . . . 0.0 109.881 178.047 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.568 ' HG ' ' H ' ' A' ' 7' ' ' TYR . 18.6 tp 60.29 179.46 0.1 Allowed 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.711 175.363 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.568 ' H ' ' HG ' ' A' ' 6' ' ' LEU . 43.8 m-85 -106.91 -47.82 3.63 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 177.822 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 64.88 174.74 0.2 Allowed 'General case' 0 C--O 1.236 0.384 0 CA-C-N 115.216 -0.902 . . . . 0.0 110.418 -175.614 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 35.7 pt -113.71 143.62 23.02 Favored 'Isoleucine or valine' 0 C--O 1.235 0.328 0 CA-C-O 121.157 0.503 . . . . 0.0 111.522 -177.105 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -130.73 -42.25 1.14 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.319 -0.855 . . . . 0.0 109.365 175.603 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -110.05 153.6 24.41 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.019 177.099 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -174.96 115.82 0.56 Allowed Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 121.095 -0.574 . . . . 0.0 112.156 177.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 13.6 mptt -84.7 76.36 10.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.232 0.539 . . . . 0.0 110.201 176.116 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -97.39 122.3 40.27 Favored 'General case' 0 C--O 1.238 0.468 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.613 175.855 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.724 HG12 ' HG3' ' A' ' 16' ' ' ARG . 52.9 t -63.68 132.33 29.49 Favored 'Isoleucine or valine' 0 C--O 1.236 0.358 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.937 179.809 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.724 ' HG3' HG12 ' A' ' 15' ' ' VAL . 49.2 mtt85 67.57 113.62 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.423 0 O-C-N 123.715 0.634 . . . . 0.0 110.625 -179.602 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 57.5 mmtt -72.18 -67.06 0.57 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.196 -179.201 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 52.1 m80 54.6 96.34 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.412 0 CA-C-O 121.164 0.507 . . . . 0.0 110.347 -176.507 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.473 ' HA ' ' NE ' ' A' ' 19' ' ' ARG . 5.1 mmp_? -95.11 146.88 23.98 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.906 -175.513 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -105.87 148.05 28.02 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.762 -0.653 . . . . 0.0 109.34 175.006 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.438 ' O ' ' N ' ' A' ' 25' ' ' GLY . 45.3 t -84.42 128.98 59.49 Favored Pre-proline 0 C--N 1.323 -0.565 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.038 -177.597 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_exo -35.8 -58.22 0.47 Allowed 'Trans proline' 0 C--N 1.351 0.685 0 C-N-CA 123.469 2.779 . . . . 0.0 113.759 -172.091 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 10.4 mmm180 -88.73 -35.9 16.45 Favored 'General case' 0 CA--C 1.533 0.315 0 N-CA-C 112.146 0.425 . . . . 0.0 112.146 -173.581 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.587 ' HB3' ' HB ' ' A' ' 28' ' ' VAL . 4.7 m -89.39 -2.51 58.44 Favored 'General case' 0 N--CA 1.473 0.725 0 N-CA-C 111.412 0.153 . . . . 0.0 111.412 -176.174 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 21' ' ' CYS . . . -40.17 -63.73 1.26 Allowed Glycine 0 C--N 1.336 0.545 0 O-C-N 123.688 0.618 . . . . 0.0 113.976 -170.297 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_exo -57.53 93.69 0.06 OUTLIER 'Trans proline' 0 CA--C 1.532 0.412 0 C-N-CA 122.297 1.998 . . . . 0.0 111.941 176.615 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 106.63 -24.46 25.57 Favored Glycine 0 CA--C 1.519 0.337 0 C-N-CA 121.352 -0.451 . . . . 0.0 113.601 174.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.587 ' HB ' ' HB3' ' A' ' 24' ' ' CYS . 21.3 t -127.49 103.94 11.44 Favored 'Isoleucine or valine' 0 C--O 1.238 0.487 0 CA-C-N 117.383 0.591 . . . . 0.0 110.313 -179.747 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 36.7 p90 -70.38 -178.76 1.81 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.639 -0.71 . . . . 0.0 111.218 -178.376 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.588 ' HG ' ' HB3' ' A' ' 37' ' ' TYR . 41.8 tp -112.95 110.21 20.13 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.348 -0.982 . . . . 0.0 108.348 174.926 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.489 ' O ' ' HA ' ' A' ' 37' ' ' TYR . . . -55.19 97.39 0.02 OUTLIER 'General case' 0 C--O 1.234 0.245 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.75 -173.757 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -80.59 110.33 15.97 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.258 179.034 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 -119.45 157.25 28.63 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.33 178.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -53.39 -29.54 35.25 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 115.889 -0.596 . . . . 0.0 112.126 -175.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -89.24 -38.92 13.88 Favored 'General case' 0 C--O 1.238 0.449 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.272 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 36.9 ptt180 -174.91 175.18 2.4 Favored 'General case' 0 C--O 1.231 0.092 0 CA-C-O 121.37 0.605 . . . . 0.0 111.8 -172.206 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.588 ' HB3' ' HG ' ' A' ' 30' ' ' LEU . 41.0 m-85 -98.31 154.66 17.66 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.034 -0.984 . . . . 0.0 109.461 173.806 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 20.5 p -153.15 159.71 42.76 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 110.395 -0.224 . . . . 0.0 110.395 177.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.661 ' SG ' ' O ' ' A' ' 40' ' ' GLY . 40.4 t -143.49 125.21 15.01 Favored 'General case' 0 CA--C 1.514 -0.44 0 N-CA-C 111.766 0.284 . . . . 0.0 111.766 -178.334 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.661 ' O ' ' SG ' ' A' ' 39' ' ' CYS . . . -70.3 -177.38 21.54 Favored Glycine 0 N--CA 1.445 -0.75 0 N-CA-C 109.961 -1.256 . . . . 0.0 109.961 163.032 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 27.4 ttt-85 74.69 -50.71 0.67 Allowed 'General case' 0 C--N 1.321 -0.648 0 C-N-CA 123.288 0.635 . . . . 0.0 111.087 177.016 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.45 ' SG ' ' HB2' ' A' ' 44' ' ' TYR . 10.5 p -125.18 -10.81 7.03 Favored 'General case' 0 C--N 1.344 0.34 0 C-N-CA 119.894 -0.723 . . . . 0.0 112.263 -179.296 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 77.43 18.42 77.93 Favored Glycine 0 C--N 1.336 0.578 0 C-N-CA 120.649 -0.786 . . . . 0.0 113.208 176.579 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.45 ' HB2' ' SG ' ' A' ' 42' ' ' CYS . 62.4 t80 -66.28 121.69 15.8 Favored 'General case' 0 C--O 1.235 0.334 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 178.849 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 87.2 m -134.18 131.88 39.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.55 -178.46 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -139.96 143.05 36.34 Favored 'General case' 0 C--O 1.222 -0.379 0 N-CA-C 108.693 -0.854 . . . . 0.0 108.693 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 71.1 m-85 -76.24 156.37 33.6 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.637 0.256 . . . . 0.0 111.326 -176.736 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 5.9 mmtt -66.14 106.2 1.58 Allowed 'General case' 0 C--O 1.233 0.228 0 N-CA-C 109.887 -0.412 . . . . 0.0 109.887 177.612 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -95.28 111.23 23.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.746 -175.505 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . 68.87 127.78 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.328 0 N-CA-C 113.598 0.962 . . . . 0.0 113.598 169.349 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.441 ' HB3' ' HE2' ' A' ' 51' ' ' LYS . 40.7 mtpt -109.69 -178.2 3.48 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 114.979 -1.009 . . . . 0.0 108.961 169.04 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.35 138.01 24.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.921 0.391 . . . . 0.0 111.454 178.114 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 50.5 m 63.31 -178.81 0.15 Allowed 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 115.359 -0.837 . . . . 0.0 112.3 177.227 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -103.44 21.8 15.38 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.072 178.638 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 50.0 m . . . . . 0 C--O 1.252 1.198 0 CA-C-O 118.492 -0.766 . . . . 0.0 110.015 -179.512 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.2 mtt . . . . . 0 N--CA 1.482 1.138 0 N-CA-C 110.351 -0.24 . . . . 0.0 110.351 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 27.6 pt20 -73.04 103.94 3.98 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-O 121.337 0.589 . . . . 0.0 110.165 178.287 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -105.41 -42.94 5.1 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.203 -175.498 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 95.8 mtt180 -137.29 171.27 14.74 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-N 116.273 -0.421 . . . . 0.0 109.972 -179.068 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -155.02 -60.27 0.11 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.924 0.393 . . . . 0.0 110.02 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 88.6 mt -65.1 159.45 23.33 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.405 -176.403 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 34.0 p90 -145.66 144.57 30.49 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.556 -0.747 . . . . 0.0 109.829 -179.654 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 51.9 mm-40 -94.26 113.5 25.43 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.229 -177.375 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 37.4 pt -132.25 -22.66 0.91 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.366 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.22 175.343 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -74.97 116.81 16.12 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-O 120.774 0.321 . . . . 0.0 111.701 -175.414 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -168.56 -67.18 0.02 OUTLIER 'General case' 0 C--O 1.236 0.371 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 176.493 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 68.36 -92.52 0.27 Allowed Glycine 0 N--CA 1.451 -0.32 0 CA-C-N 115.475 -0.784 . . . . 0.0 114.005 172.64 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -56.11 117.82 4.1 Favored 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 122.872 0.469 . . . . 0.0 111.707 -173.693 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 98.9 mt -101.89 114.77 29.15 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.053 -0.522 . . . . 0.0 109.901 176.851 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.424 ' O ' ' HD3' ' A' ' 19' ' ' ARG . 56.6 t -86.6 114.69 26.37 Favored 'Isoleucine or valine' 0 C--O 1.236 0.377 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.42 -178.319 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.431 ' O ' ' HG2' ' A' ' 19' ' ' ARG . 6.3 mpt_? -90.81 -89.99 0.16 Allowed 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.034 -179.724 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 56.7 mttp -94.25 75.14 3.98 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 121.116 0.484 . . . . 0.0 110.59 -175.8 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 64.7 t60 -172.96 28.97 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.078 -0.965 . . . . 0.0 108.491 177.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.431 ' HG2' ' O ' ' A' ' 16' ' ' ARG . 10.0 mmm180 -87.17 122.29 30.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.17 -0.923 . . . . 0.0 110.085 -175.825 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.518 ' HA ' ' HA ' ' A' ' 29' ' ' PHE . 42.1 m-85 -100.32 135.13 42.23 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 109.619 -0.511 . . . . 0.0 109.619 175.485 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 46.8 t -51.4 129.7 33.4 Favored Pre-proline 0 C--N 1.331 -0.234 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.843 -175.329 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -36.06 -54.07 0.88 Allowed 'Trans proline' 0 C--N 1.352 0.724 0 C-N-CA 123.663 2.909 . . . . 0.0 113.568 -174.147 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 14.1 mtm180 -97.83 -40.65 8.42 Favored 'General case' 0 CA--C 1.534 0.353 0 N-CA-C 112.116 0.413 . . . . 0.0 112.116 -175.225 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.605 ' HB3' ' HB ' ' A' ' 28' ' ' VAL . 19.4 m -75.94 -2.0 28.28 Favored 'General case' 0 N--CA 1.478 0.934 0 O-C-N 122.303 -0.248 . . . . 0.0 111.327 -179.555 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -37.78 -56.14 1.71 Allowed Glycine 0 C--N 1.336 0.583 0 O-C-N 123.815 0.697 . . . . 0.0 113.507 -173.846 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_exo -61.69 83.68 0.09 OUTLIER 'Trans proline' 0 C--O 1.236 0.41 0 C-N-CA 122.28 1.987 . . . . 0.0 111.767 174.018 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 118.32 -24.32 8.72 Favored Glycine 0 CA--C 1.521 0.46 0 CA-C-N 116.195 -0.457 . . . . 0.0 113.484 175.08 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.605 ' HB ' ' HB3' ' A' ' 24' ' ' CYS . 46.7 t -134.99 122.42 37.24 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.423 0 CA-C-N 117.409 0.605 . . . . 0.0 111.373 -178.228 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.518 ' HA ' ' HA ' ' A' ' 20' ' ' PHE . 38.5 p90 -78.91 -164.6 0.62 Allowed 'General case' 0 CA--C 1.535 0.401 0 CA-C-N 115.383 -0.826 . . . . 0.0 111.376 179.834 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 38.5 tp -129.17 109.22 10.98 Favored 'General case' 0 C--O 1.234 0.24 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 173.798 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -73.14 111.56 8.37 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.419 -174.484 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -77.92 131.79 37.62 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-O 120.982 0.42 . . . . 0.0 109.913 174.488 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 76.5 m-70 -125.23 158.57 33.73 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 173.461 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -53.39 -32.66 50.51 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 111.977 0.362 . . . . 0.0 111.977 -175.263 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -95.13 -26.18 16.12 Favored 'General case' 0 C--O 1.236 0.389 0 N-CA-C 112.121 0.415 . . . . 0.0 112.121 -175.546 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.556 ' NH1' HG21 ' A' ' 45' ' ' THR . 25.7 ptt180 -175.51 166.62 3.27 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 121.155 0.502 . . . . 0.0 111.85 -172.08 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.405 ' HE1' ' H ' ' A' ' 49' ' ' LYS . 19.7 m-85 -97.49 146.26 25.41 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 108.075 -1.083 . . . . 0.0 108.075 172.813 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 21.8 t -145.99 162.07 38.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.225 0.536 . . . . 0.0 111.514 -179.006 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.471 ' SG ' ' HB2' ' A' ' 41' ' ' ARG . 27.6 t -137.84 106.67 5.93 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 115.42 -0.809 . . . . 0.0 111.045 -178.767 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -75.07 62.71 2.52 Favored Glycine 0 CA--C 1.52 0.365 0 O-C-N 123.42 0.45 . . . . 0.0 112.156 176.406 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.511 ' HG3' HG21 ' A' ' 28' ' ' VAL . 20.7 mmt180 -159.01 -72.47 0.08 Allowed 'General case' 0 N--CA 1.464 0.235 0 C-N-CA 123.376 0.671 . . . . 0.0 110.023 -178.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.493 ' SG ' ' HB2' ' A' ' 44' ' ' TYR . 31.1 p -96.1 1.15 52.26 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 120.843 0.354 . . . . 0.0 110.793 179.669 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 70.37 28.04 71.86 Favored Glycine 0 C--N 1.334 0.438 0 C-N-CA 120.957 -0.639 . . . . 0.0 111.734 179.215 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.493 ' HB2' ' SG ' ' A' ' 42' ' ' CYS . 61.5 t80 -77.82 108.51 11.1 Favored 'General case' 0 N--CA 1.453 -0.296 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 176.587 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.556 HG21 ' NH1' ' A' ' 36' ' ' ARG . 52.0 m -130.32 124.41 32.24 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.791 -0.641 . . . . 0.0 109.45 179.075 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -129.74 130.79 45.87 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.102 -0.499 . . . . 0.0 109.811 -175.739 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 59.2 m-85 -57.96 147.04 30.34 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 120.73 0.3 . . . . 0.0 110.829 -178.714 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 5.4 tmtt? -57.77 100.99 0.06 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.872 -0.603 . . . . 0.0 111.016 -174.316 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.405 ' H ' ' HE1' ' A' ' 37' ' ' TYR . 88.1 tttt -64.15 83.86 0.03 OUTLIER 'General case' 0 C--O 1.235 0.308 0 N-CA-C 109.168 -0.678 . . . . 0.0 109.168 174.467 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -75.5 90.98 2.75 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.54 -0.755 . . . . 0.0 111.686 -172.891 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.436 ' HA ' ' HD3' ' A' ' 51' ' ' LYS . 64.4 mmtt -92.99 111.43 23.06 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 171.634 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 27.5 tptp -54.62 -38.04 66.34 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.153 -175.845 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 15.8 m 64.48 32.3 11.87 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.21 178.263 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt 65.23 -162.21 0.27 Allowed 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.467 177.702 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 29.5 t . . . . . 0 C--O 1.253 1.25 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 176.558 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 62.8 mtt . . . . . 0 N--CA 1.481 1.085 0 N-CA-C 110.184 -0.302 . . . . 0.0 110.184 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -59.77 149.31 31.37 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 121.108 0.48 . . . . 0.0 111.984 -174.765 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.41 ' HG2' ' HB3' ' A' ' 5' ' ' GLU . 55.3 tttp -68.28 103.96 1.72 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.229 -0.896 . . . . 0.0 111.264 -176.207 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 50.9 mtt180 -81.01 67.02 6.76 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.794 0.807 . . . . 0.0 109.395 175.428 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.485 ' O ' ' HG3' ' A' ' 5' ' ' GLU . 8.8 tp10 -156.56 17.85 0.33 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 114.477 -1.238 . . . . 0.0 108.781 -179.357 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.439 ' HB2' ' O ' ' A' ' 5' ' ' GLU . 7.7 mp 67.33 168.23 0.25 Allowed 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 115.483 -0.78 . . . . 0.0 110.573 -174.186 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 80.7 m-85 -108.95 137.32 47.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.587 -178.591 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 43.7 mm-40 -91.54 106.63 18.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.091 176.371 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 33.7 pt -71.14 -23.42 23.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.111 -177.755 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -80.89 123.76 28.55 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.717 -178.888 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -61.68 113.13 2.56 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.219 176.883 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -72.2 -87.88 0.15 Allowed Glycine 0 N--CA 1.45 -0.392 0 N-CA-C 111.446 -0.661 . . . . 0.0 111.446 177.407 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm 59.95 174.88 0.09 Allowed 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 121.224 0.535 . . . . 0.0 111.35 179.054 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 93.2 mt -119.14 98.71 6.3 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 177.338 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 85.4 t -82.41 114.68 23.67 Favored 'Isoleucine or valine' 0 C--O 1.235 0.312 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.827 -176.723 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 96.7 mtt180 -102.1 -30.15 11.33 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.071 179.676 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -67.39 131.19 45.21 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.661 -177.726 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 80.5 m-70 -68.63 106.37 2.58 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.749 -178.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 33.1 mtp85 -60.69 153.28 24.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.426 -0.806 . . . . 0.0 112.367 -173.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -106.75 -179.79 4.04 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 172.568 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 43.7 t -91.97 123.48 62.87 Favored Pre-proline 0 C--N 1.326 -0.444 0 C-N-CA 120.515 -0.474 . . . . 0.0 110.214 177.81 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 74.8 Cg_exo -43.54 -49.04 8.08 Favored 'Trans proline' 0 C--N 1.349 0.591 0 C-N-CA 123.186 2.591 . . . . 0.0 113.481 -173.173 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 23.1 mtp180 -86.72 -57.21 3.07 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.317 -174.747 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 3.3 m -73.02 -3.98 29.52 Favored 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 111.862 0.319 . . . . 0.0 111.862 -175.666 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -38.33 -65.18 0.74 Allowed Glycine 0 C--N 1.341 0.848 0 O-C-N 123.517 0.511 . . . . 0.0 114.32 -172.039 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -64.48 81.02 0.17 Allowed 'Trans proline' 0 CA--C 1.533 0.459 0 C-N-CA 122.362 2.041 . . . . 0.0 111.732 178.558 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 131.32 -24.48 4.18 Favored Glycine 0 CA--C 1.519 0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 112.639 178.179 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 19.3 t -133.32 107.44 11.13 Favored 'Isoleucine or valine' 0 C--O 1.239 0.543 0 CA-C-N 116.828 0.314 . . . . 0.0 110.64 -178.567 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 50.8 p90 -62.83 172.6 1.62 Allowed 'General case' 0 C--O 1.237 0.442 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.556 174.46 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 35.8 tp -102.92 117.14 33.95 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 176.235 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.13 89.47 0.08 Allowed 'General case' 0 C--O 1.235 0.342 0 CA-C-O 121.198 0.523 . . . . 0.0 110.548 -177.666 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -75.74 134.37 40.49 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.784 -179.711 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 80.3 m-70 -133.15 152.58 51.94 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 173.834 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -55.69 -25.37 39.52 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 111.719 0.266 . . . . 0.0 111.719 -177.117 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -92.67 -32.85 14.6 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.656 -178.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 12.4 ptp180 -173.04 170.54 4.4 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 121.161 0.505 . . . . 0.0 111.343 -175.482 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 67.8 m-85 -98.49 149.03 23.14 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.451 -0.795 . . . . 0.0 109.079 174.06 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 33.4 t -142.36 162.26 35.93 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.93 -0.396 . . . . 0.0 109.93 178.735 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.637 ' SG ' ' O ' ' A' ' 40' ' ' GLY . 42.4 t -147.03 125.81 12.65 Favored 'General case' 0 CA--C 1.513 -0.453 0 N-CA-C 111.779 0.289 . . . . 0.0 111.779 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.637 ' O ' ' SG ' ' A' ' 39' ' ' CYS . . . -67.65 178.73 18.56 Favored Glycine 0 N--CA 1.447 -0.579 0 N-CA-C 110.031 -1.228 . . . . 0.0 110.031 163.456 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.448 ' HB2' ' O ' ' A' ' 40' ' ' GLY . 22.6 mmt180 76.14 -53.55 0.61 Allowed 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 123.008 0.523 . . . . 0.0 111.224 177.245 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.447 ' SG ' ' HB2' ' A' ' 44' ' ' TYR . 13.6 p -122.68 -9.1 8.43 Favored 'General case' 0 N--CA 1.464 0.236 0 C-N-CA 119.93 -0.708 . . . . 0.0 112.04 -177.921 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 72.05 21.12 79.23 Favored Glycine 0 C--N 1.335 0.478 0 C-N-CA 120.625 -0.798 . . . . 0.0 112.91 177.359 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.447 ' HB2' ' SG ' ' A' ' 42' ' ' CYS . 85.3 t80 -63.42 124.83 22.31 Favored 'General case' 0 C--O 1.234 0.286 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 178.086 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 86.9 m -127.74 135.22 49.84 Favored 'General case' 0 C--N 1.327 -0.387 0 O-C-N 123.675 0.609 . . . . 0.0 109.845 178.04 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -139.22 114.61 9.75 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 79.3 m-85 -58.8 145.98 38.73 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.726 0.298 . . . . 0.0 111.044 -179.232 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 31.3 mmtt -64.14 90.79 0.07 Allowed 'General case' 0 C--O 1.235 0.314 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.699 178.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -74.49 116.53 15.28 Favored 'General case' 0 C--O 1.236 0.355 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 175.761 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -153.92 90.21 1.36 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.624 -0.717 . . . . 0.0 109.848 177.847 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.57 ' HA ' ' HE2' ' A' ' 51' ' ' LYS . 0.1 OUTLIER -64.11 -33.39 75.65 Favored 'General case' 0 C--O 1.233 0.225 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 178.163 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -106.32 141.63 37.33 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.133 -0.94 . . . . 0.0 109.188 170.576 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 20.0 m -144.29 116.88 8.63 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.754 -0.461 . . . . 0.0 109.754 178.841 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.454 ' HB2' ' NZ ' ' A' ' 54' ' ' LYS . 0.1 OUTLIER -69.49 89.41 0.51 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.295 0.569 . . . . 0.0 110.509 -179.692 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 17.3 m . . . . . 0 C--O 1.25 1.119 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.171 -179.783 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.504 ' SD ' ' N ' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.481 1.125 0 CA-C-O 120.679 0.276 . . . . 0.0 110.471 . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -96.83 115.61 27.73 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.448 -178.83 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 17.6 ptpt -66.54 145.96 55.05 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.517 178.6 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 22.1 mmt85 -88.01 123.9 33.19 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.215 -178.438 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 72.5 mm-40 -88.74 -76.79 0.39 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.747 -176.39 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 44.8 tp 70.14 150.42 0.09 Allowed 'General case' 0 C--O 1.235 0.314 0 O-C-N 123.917 0.761 . . . . 0.0 109.435 -168.892 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 95.2 m-85 -72.03 90.82 1.19 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.347 0.594 . . . . 0.0 111.064 -175.284 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 24.5 mm-40 -77.18 137.29 38.78 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-N 115.141 -0.936 . . . . 0.0 110.649 177.12 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 50.4 mm 66.94 104.09 0.04 OUTLIER 'Isoleucine or valine' 0 C--O 1.234 0.278 0 O-C-N 123.771 0.669 . . . . 0.0 110.655 179.816 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.15 159.75 9.23 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-N 115.725 -0.67 . . . . 0.0 111.647 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.433 ' OD2' ' HG2' ' A' ' 13' ' ' LYS . 4.4 p-10 -56.11 142.11 37.88 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.113 178.624 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -93.9 66.5 1.61 Allowed Glycine 0 C--N 1.331 0.264 0 C-N-CA 121.209 -0.519 . . . . 0.0 113.382 -174.21 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.433 ' HG2' ' OD2' ' A' ' 11' ' ' ASP . 72.9 mmtt -65.03 95.39 0.16 Allowed 'General case' 0 N--CA 1.465 0.303 0 N-CA-C 111.608 0.225 . . . . 0.0 111.608 179.379 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 80.0 mt 63.39 8.41 3.47 Favored 'General case' 0 N--CA 1.47 0.528 0 N-CA-C 112.637 0.606 . . . . 0.0 112.637 171.597 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 34.2 m -85.04 36.25 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.317 0 CA-C-O 120.812 0.339 . . . . 0.0 111.184 -177.64 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 38.5 ttm180 -51.84 -40.56 60.74 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.497 -177.069 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -135.67 87.94 2.36 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 -178.823 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 56.5 p-80 -115.82 33.57 5.42 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.5 -175.636 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.408 HH11 ' HD3' ' A' ' 19' ' ' ARG . 51.2 mtt180 -65.43 102.52 0.7 Allowed 'General case' 0 C--O 1.235 0.328 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.39 178.408 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.589 ' HB3' ' HA2' ' A' ' 25' ' ' GLY . 95.0 m-85 -77.92 160.43 28.25 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.809 176.752 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.42 ' O ' ' N ' ' A' ' 25' ' ' GLY . 50.6 t -61.89 128.14 90.13 Favored Pre-proline 0 C--N 1.327 -0.373 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 178.321 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_exo -40.31 -52.98 2.78 Favored 'Trans proline' 0 C--N 1.349 0.602 0 C-N-CA 123.027 2.484 . . . . 0.0 113.343 -173.7 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 15.7 mmt180 -90.41 -37.68 13.8 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 116.022 -0.536 . . . . 0.0 112.243 -172.8 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.579 ' HB3' ' HB ' ' A' ' 28' ' ' VAL . 11.0 m -89.03 -0.73 57.67 Favored 'General case' 0 N--CA 1.477 0.898 0 O-C-N 122.357 -0.215 . . . . 0.0 111.377 -178.66 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.589 ' HA2' ' HB3' ' A' ' 20' ' ' PHE . . . -36.6 -62.3 0.8 Allowed Glycine 0 C--N 1.333 0.377 0 O-C-N 123.859 0.724 . . . . 0.0 114.612 -169.405 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 44.7 Cg_exo -57.29 84.72 0.04 OUTLIER 'Trans proline' 0 CA--C 1.535 0.556 0 C-N-CA 122.558 2.172 . . . . 0.0 112.432 178.368 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 113.88 -24.28 12.09 Favored Glycine 0 CA--C 1.521 0.42 0 CA-C-N 115.805 -0.634 . . . . 0.0 113.524 175.721 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.579 ' HB ' ' HB3' ' A' ' 24' ' ' CYS . 44.6 t -126.58 109.67 21.57 Favored 'Isoleucine or valine' 0 C--O 1.237 0.41 0 CA-C-O 121.184 0.516 . . . . 0.0 110.921 -177.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 37.0 p90 -76.43 -163.83 0.35 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.224 -0.898 . . . . 0.0 111.106 -179.64 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.425 ' HG ' ' HB3' ' A' ' 37' ' ' TYR . 30.1 tp -116.94 118.88 33.66 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 176.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -69.03 89.86 0.44 Allowed 'General case' 0 C--O 1.234 0.237 0 CA-C-O 121.046 0.451 . . . . 0.0 111.181 -175.665 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -75.21 126.86 31.89 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.85 178.699 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -130.62 156.85 44.18 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 174.15 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -54.35 -28.51 43.42 Favored 'General case' 0 C--O 1.235 0.314 0 O-C-N 123.296 0.372 . . . . 0.0 111.515 -177.522 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -83.94 -41.43 17.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.022 179.754 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 18.8 ptt180 -177.37 172.3 1.87 Allowed 'General case' 0 N--CA 1.463 0.194 0 CA-C-O 121.23 0.538 . . . . 0.0 111.539 -174.791 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.425 ' HB3' ' HG ' ' A' ' 30' ' ' LEU . 14.1 m-85 -98.67 137.96 36.54 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.246 -0.888 . . . . 0.0 109.046 176.554 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 47.1 t -134.38 161.34 35.27 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.877 0.37 . . . . 0.0 110.499 179.788 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 41.3 t -140.55 88.5 2.2 Favored 'General case' 0 C--O 1.238 0.471 0 CA-C-N 116.598 -0.274 . . . . 0.0 111.738 175.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -67.02 74.83 0.17 Allowed Glycine 0 C--N 1.332 0.354 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 172.2 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.564 ' HD2' ' SG ' ' A' ' 24' ' ' CYS . 0.5 OUTLIER -171.89 -30.68 0.01 OUTLIER 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 109.109 -0.7 . . . . 0.0 109.109 -174.584 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.428 ' SG ' ' HB2' ' A' ' 44' ' ' TYR . 26.0 p -147.45 -3.3 0.55 Allowed 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.718 174.797 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 79.89 22.99 62.65 Favored Glycine 0 C--N 1.338 0.646 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.558 179.71 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.428 ' HB2' ' SG ' ' A' ' 42' ' ' CYS . 59.2 t80 -79.4 123.23 27.31 Favored 'General case' 0 C--O 1.24 0.558 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 176.566 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 62.3 m -140.08 147.6 40.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 123.634 0.584 . . . . 0.0 110.626 -175.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -149.79 138.15 20.61 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 178.203 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 79.2 m-85 -77.07 147.48 36.65 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.66 0.267 . . . . 0.0 110.829 -177.366 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 25.0 mmtt -61.98 104.48 0.47 Allowed 'General case' 0 C--O 1.233 0.204 0 CA-C-N 116.134 -0.485 . . . . 0.0 109.714 176.883 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.421 ' HE3' ' HB2' ' A' ' 49' ' ' LYS . 5.9 ttmt -102.89 96.89 7.12 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.231 -177.521 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.51 -40.6 95.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.623 -178.082 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.417 ' HE3' ' HB2' ' A' ' 51' ' ' LYS . 32.7 ttmt -155.59 149.54 25.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.868 179.741 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 18.0 pttp -148.93 136.4 20.31 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.37 -175.463 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 35.7 t -92.75 75.31 4.95 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.32 179.515 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 67.8 mttm 57.77 -82.32 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 115.533 -0.758 . . . . 0.0 111.778 178.536 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 14.3 p . . . . . 0 C--O 1.252 1.189 0 CA-C-O 118.767 -0.635 . . . . 0.0 110.089 -178.276 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.1 ptt? . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 120.603 0.239 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 44.3 tt0 -112.39 101.01 9.23 Favored 'General case' 0 C--O 1.235 0.315 0 N-CA-C 110.069 -0.345 . . . . 0.0 110.069 179.41 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 60.1 tptt -80.8 140.14 35.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.006 179.03 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 61.5 mtp180 -127.75 168.37 15.2 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.071 0.462 . . . . 0.0 111.299 179.005 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.55 -29.31 66.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.245 -0.888 . . . . 0.0 110.556 175.686 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.428 ' HB3' ' H ' ' A' ' 7' ' ' TYR . 4.5 tt 63.83 -92.6 0.03 OUTLIER 'General case' 0 CA--C 1.537 0.445 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.986 177.118 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.428 ' H ' ' HB3' ' A' ' 6' ' ' LEU . 47.0 m-85 -160.17 172.91 16.58 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 122.656 0.383 . . . . 0.0 110.578 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -74.46 166.4 23.58 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.207 178.887 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 40.2 pt -99.35 174.42 0.94 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.29 0 CA-C-O 120.905 0.383 . . . . 0.0 110.826 177.89 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -86.08 79.35 9.18 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.508 177.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -102.35 -53.74 2.83 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.969 -0.559 . . . . 0.0 109.566 176.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -80.86 54.29 4.67 Favored Glycine 0 N--CA 1.452 -0.235 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.582 176.642 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 65.5 tttm -66.11 -32.54 74.05 Favored 'General case' 0 C--O 1.237 0.43 0 C-N-CA 122.85 0.46 . . . . 0.0 111.304 -174.27 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 46.2 tp -95.61 90.79 5.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.453 -179.591 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 20.5 m -135.27 162.19 38.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.762 177.55 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.545 ' HB3' ' HG2' ' A' ' 19' ' ' ARG . 13.9 tpt180 -89.13 140.02 29.88 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.362 -177.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 6.0 tmtm? -66.97 118.55 10.6 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 179.094 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.485 ' CG ' ' O ' ' A' ' 18' ' ' HIS . 3.7 p-80 47.2 92.4 0.01 OUTLIER 'General case' 0 CA--C 1.538 0.498 0 CA-C-O 122.218 1.008 . . . . 0.0 110.719 -173.865 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.545 ' HG2' ' HB3' ' A' ' 16' ' ' ARG . 80.8 mtp180 -82.65 167.21 18.48 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.584 -177.246 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 57.6 m-85 -101.71 142.26 33.32 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 173.274 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 52.6 t -63.74 121.9 73.52 Favored Pre-proline 0 C--N 1.325 -0.5 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.316 -177.494 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -42.18 -39.52 6.06 Favored 'Trans proline' 0 C--N 1.351 0.683 0 C-N-CA 123.106 2.538 . . . . 0.0 113.564 -172.886 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 59.5 mmt-85 -93.78 -55.41 3.26 Favored 'General case' 0 CA--C 1.536 0.419 0 N-CA-C 111.951 0.352 . . . . 0.0 111.951 -177.58 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 4.2 m -75.86 -1.16 23.99 Favored 'General case' 0 N--CA 1.478 0.949 0 N-CA-C 111.665 0.246 . . . . 0.0 111.665 -176.636 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.401 ' O ' ' N ' ' A' ' 27' ' ' GLY . . . -33.52 -62.29 0.41 Allowed Glycine 0 N--CA 1.466 0.663 0 N-CA-C 115.454 0.942 . . . . 0.0 115.454 -169.21 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -53.01 84.09 0.02 OUTLIER 'Trans proline' 0 CA--C 1.535 0.568 0 C-N-CA 122.774 2.316 . . . . 0.0 113.138 -178.894 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.401 ' N ' ' O ' ' A' ' 25' ' ' GLY . . . 107.41 -24.96 23.04 Favored Glycine 0 CA--C 1.518 0.268 0 CA-C-N 116.031 -0.531 . . . . 0.0 112.735 176.84 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 39.4 t -118.81 98.54 6.53 Favored 'Isoleucine or valine' 0 C--O 1.238 0.5 0 CA-C-O 121.345 0.593 . . . . 0.0 110.117 -178.726 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 37.7 p90 -75.66 -170.07 1.2 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.098 -0.955 . . . . 0.0 111.226 -178.003 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.674 ' HG ' ' HB3' ' A' ' 37' ' ' TYR . 26.7 tp -113.28 101.07 9.06 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 108.549 -0.908 . . . . 0.0 108.549 176.128 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -55.03 107.48 0.31 Allowed 'General case' 0 C--O 1.232 0.172 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.748 -172.46 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -79.36 111.71 15.88 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.553 179.155 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 65.2 m-70 -111.77 153.35 26.66 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 108.851 -0.796 . . . . 0.0 108.851 173.879 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.51 -22.09 42.01 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.871 0.367 . . . . 0.0 111.389 -178.346 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -91.04 -37.03 13.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.351 178.559 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.578 ' HB2' ' O ' ' A' ' 46' ' ' GLU . 17.1 ptt-85 -176.95 172.01 2.07 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-O 121.072 0.463 . . . . 0.0 111.49 -175.249 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.674 ' HB3' ' HG ' ' A' ' 30' ' ' LEU . 14.7 m-85 -97.5 129.04 44.71 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.256 175.637 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 46.5 p -127.7 157.11 41.21 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.004 0.431 . . . . 0.0 111.022 -179.201 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.679 ' SG ' ' O ' ' A' ' 40' ' ' GLY . 42.9 t -131.07 132.3 44.79 Favored 'General case' 0 CA--C 1.512 -0.486 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.066 177.062 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.679 ' O ' ' SG ' ' A' ' 39' ' ' CYS . . . -73.17 177.96 41.75 Favored Glycine 0 N--CA 1.442 -0.947 0 N-CA-C 109.751 -1.34 . . . . 0.0 109.751 164.558 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 12.5 mmt180 75.65 -54.8 0.63 Allowed 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 117.143 0.472 . . . . 0.0 110.976 175.705 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.626 ' SG ' ' HB2' ' A' ' 44' ' ' TYR . 11.2 p -121.26 -4.23 9.46 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 120.218 -0.593 . . . . 0.0 112.002 -178.855 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 69.48 13.11 67.7 Favored Glycine 0 C--N 1.335 0.475 0 C-N-CA 120.771 -0.728 . . . . 0.0 113.215 175.285 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.626 ' HB2' ' SG ' ' A' ' 42' ' ' CYS . 62.5 t80 -61.53 127.99 34.12 Favored 'General case' 0 C--O 1.234 0.248 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 -178.138 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 94.2 m -134.45 127.42 31.45 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.223 0.535 . . . . 0.0 112.117 -174.345 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.578 ' O ' ' HB2' ' A' ' 36' ' ' ARG . 10.9 tp10 -112.33 157.76 20.6 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 107.704 -1.221 . . . . 0.0 107.704 170.796 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -104.65 151.02 24.19 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 118.333 0.515 . . . . 0.0 111.915 -176.388 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 41.0 mmtt -72.22 83.68 1.03 Allowed 'General case' 0 C--O 1.234 0.27 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.242 176.567 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 83.8 mttt -66.12 115.69 6.4 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.252 -0.885 . . . . 0.0 109.087 174.616 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -45.02 128.36 7.11 Favored 'General case' 0 N--CA 1.464 0.261 0 O-C-N 123.938 0.774 . . . . 0.0 112.59 -170.561 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 31.7 mmmt -69.1 -45.22 70.79 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.128 179.049 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 57.1 mtpt 47.37 -94.4 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 115.461 -0.79 . . . . 0.0 110.632 -177.684 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 59.5 p -179.38 -47.07 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.134 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 176.799 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.446 ' HG2' ' O ' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -153.68 109.4 3.25 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-O 120.888 0.375 . . . . 0.0 110.782 174.774 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 40.5 m . . . . . 0 C--O 1.25 1.092 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.704 177.943 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.6 mtt . . . . . 0 N--CA 1.484 1.235 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.17 80.6 2.98 Favored 'General case' 0 C--O 1.234 0.257 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 177.199 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -107.31 172.06 7.04 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.902 177.218 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 92.5 mtt-85 -73.82 89.72 1.85 Allowed 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.52 -0.918 . . . . 0.0 108.52 171.611 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.422 ' HG3' ' N ' ' A' ' 6' ' ' LEU . 16.9 pt-20 -50.46 -48.87 56.42 Favored 'General case' 0 C--O 1.239 0.515 0 CA-C-N 115.438 -0.801 . . . . 0.0 111.103 -174.203 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.422 ' N ' ' HG3' ' A' ' 5' ' ' GLU . 88.6 mt 49.42 -161.9 0.05 OUTLIER 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.245 -175.933 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 -120.99 -15.84 8.18 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 173.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 66.73 131.93 0.02 OUTLIER 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 115.472 -0.786 . . . . 0.0 111.324 176.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.551 HD11 ' HA ' ' A' ' 52' ' ' LYS . 15.7 pt -74.29 70.5 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 121.66 0.743 . . . . 0.0 110.933 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -151.6 18.26 0.71 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.492 -179.253 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -76.23 136.99 39.69 Favored 'General case' 0 C--O 1.237 0.444 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.453 179.034 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 109.09 159.82 19.21 Favored Glycine 0 N--CA 1.451 -0.315 0 N-CA-C 111.489 -0.644 . . . . 0.0 111.489 -176.352 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 51.6 mtpt -87.79 36.19 0.75 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.342 0.592 . . . . 0.0 110.571 -178.11 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 80.9 mt -82.54 62.98 6.47 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.225 -179.616 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 60.1 t -65.44 -42.63 93.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.503 177.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 53.9 mtm180 -74.89 122.46 23.43 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.103 -0.953 . . . . 0.0 109.999 177.648 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.709 ' NZ ' ' HA ' ' A' ' 17' ' ' LYS . 0.1 OUTLIER -96.02 -15.83 22.02 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.697 -0.229 . . . . 0.0 110.699 179.063 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 80.5 m-70 61.5 27.29 16.86 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.451 177.268 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.51 ' O ' ' HB3' ' A' ' 30' ' ' LEU . 97.7 mtt180 -75.36 124.39 27.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.001 -178.16 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -107.51 168.59 9.13 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 171.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.434 ' O ' ' N ' ' A' ' 25' ' ' GLY . 39.4 t -81.21 111.36 23.77 Favored Pre-proline 0 C--N 1.326 -0.414 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 -178.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 67.1 Cg_exo -43.45 -39.5 9.42 Favored 'Trans proline' 0 C--N 1.35 0.648 0 C-N-CA 123.245 2.63 . . . . 0.0 113.418 -169.805 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 -85.45 -46.85 10.5 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.605 -175.57 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.451 ' CB ' ' HB ' ' A' ' 28' ' ' VAL . 4.5 m -89.97 -1.33 57.95 Favored 'General case' 0 N--CA 1.472 0.647 0 N-CA-C 111.786 0.291 . . . . 0.0 111.786 -176.489 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 21' ' ' CYS . . . -37.84 -73.46 0.14 Allowed Glycine 0 N--CA 1.464 0.564 0 O-C-N 123.692 0.62 . . . . 0.0 114.168 -168.189 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_exo -60.31 86.11 0.08 OUTLIER 'Trans proline' 0 CA--C 1.532 0.414 0 C-N-CA 122.3 2.0 . . . . 0.0 111.663 175.733 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 131.05 -25.51 4.11 Favored Glycine 0 N--CA 1.452 -0.273 0 CA-C-N 115.777 -0.647 . . . . 0.0 112.508 177.283 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.451 ' HB ' ' CB ' ' A' ' 24' ' ' CYS . 21.9 t -137.02 107.09 5.08 Favored 'Isoleucine or valine' 0 C--O 1.237 0.434 0 CA-C-O 120.839 0.352 . . . . 0.0 110.458 178.223 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 21.1 p90 -65.2 164.3 13.52 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.51 176.521 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.51 ' HB3' ' O ' ' A' ' 19' ' ' ARG . 57.3 tp -102.73 107.9 18.95 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.486 -0.931 . . . . 0.0 108.486 172.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.14 94.86 0.02 OUTLIER 'General case' 0 C--O 1.234 0.278 0 O-C-N 123.272 0.358 . . . . 0.0 110.685 -176.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.445 ' HG3' ' CE2' ' A' ' 37' ' ' TYR . 48.4 tt0 -86.12 90.72 8.21 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.804 -179.049 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 66.9 m-70 -89.18 151.25 22.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.418 -0.81 . . . . 0.0 109.3 177.428 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.07 -22.07 48.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.919 0.39 . . . . 0.0 110.29 175.586 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -82.75 -42.53 17.88 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 115.883 -0.598 . . . . 0.0 111.244 177.304 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.489 ' HB2' ' O ' ' A' ' 46' ' ' GLU . 16.1 ptp180 -175.9 173.05 2.36 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-O 121.072 0.463 . . . . 0.0 111.48 -174.078 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.445 ' CE2' ' HG3' ' A' ' 32' ' ' GLU . 33.0 m-85 -97.5 140.47 31.89 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 108.68 -0.859 . . . . 0.0 108.68 174.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 31.2 t -144.11 148.46 35.13 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 121.202 0.525 . . . . 0.0 111.808 -177.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 45.5 t -139.59 87.18 2.16 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.024 175.38 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -71.57 69.21 0.94 Allowed Glycine 0 C--N 1.335 0.474 0 O-C-N 123.425 0.453 . . . . 0.0 112.617 -179.345 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 16.7 mmt180 -160.31 -48.22 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 123.555 0.742 . . . . 0.0 109.418 -179.552 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 17.8 p -116.33 -14.59 11.02 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.441 176.635 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 89.77 27.36 22.02 Favored Glycine 0 C--N 1.335 0.485 0 C-N-CA 121.182 -0.532 . . . . 0.0 113.061 176.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 52.7 t80 -78.87 108.78 12.58 Favored 'General case' 0 C--O 1.237 0.434 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 174.532 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 49.3 m -140.29 146.39 38.5 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.195 -177.033 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.489 ' O ' ' HB2' ' A' ' 36' ' ' ARG . 13.7 tp10 -162.06 144.07 11.18 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 109.738 -0.468 . . . . 0.0 109.738 -179.221 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 86.7 m-85 -65.82 155.73 35.39 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-O 120.938 0.399 . . . . 0.0 111.233 -179.191 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 12.8 mmtt -69.75 80.02 0.44 Allowed 'General case' 0 C--O 1.234 0.266 0 CA-C-O 121.432 0.634 . . . . 0.0 110.032 174.777 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -144.63 69.37 1.26 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.307 -0.86 . . . . 0.0 109.083 178.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -86.38 1.9 49.53 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.671 -178.222 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.413 ' O ' ' HB3' ' A' ' 52' ' ' LYS . 41.0 mtpt -54.64 125.1 18.48 Favored 'General case' 0 C--O 1.234 0.262 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 176.233 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.551 ' HA ' HD11 ' A' ' 9' ' ' ILE . 26.5 ttpp 68.68 66.28 0.31 Allowed 'General case' 0 CA--C 1.531 0.213 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 -172.084 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 5.4 m -67.44 -69.24 0.33 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 114.816 -1.084 . . . . 0.0 110.914 -175.794 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 64.6 tttp 65.78 142.37 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.436 -178.07 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 57.9 m . . . . . 0 C--O 1.248 0.977 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.295 178.104 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.471 ' C ' ' SD ' ' A' ' 1' ' ' MET . 0.7 OUTLIER . . . . . 0 N--CA 1.482 1.143 0 CA-C-O 120.602 0.239 . . . . 0.0 110.668 . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 89.5 mt-30 -66.39 -50.45 63.41 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.151 -175.553 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.42 ' HD2' ' N ' ' A' ' 3' ' ' LYS . 3.2 mptp? -113.77 101.97 9.79 Favored 'General case' 0 C--O 1.234 0.283 0 N-CA-C 110.149 -0.315 . . . . 0.0 110.149 178.317 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 26.6 mtm180 -86.51 103.71 15.29 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 177.254 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -79.12 -57.68 3.61 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 177.09 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 68.4 mt 56.35 101.08 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.434 176.82 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 77.1 t80 -64.72 -32.98 74.9 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.71 -178.339 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -75.72 101.39 5.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.393 0.616 . . . . 0.0 110.261 178.856 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 55.0 mt -119.33 141.13 40.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 114.982 -1.008 . . . . 0.0 109.523 -179.043 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -151.72 149.76 29.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.618 0.247 . . . . 0.0 110.809 -179.501 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 13.2 p-10 -64.0 -37.09 86.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.716 -0.675 . . . . 0.0 109.481 176.226 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -163.5 -105.77 0.19 Allowed Glycine 0 N--CA 1.448 -0.53 0 N-CA-C 110.445 -1.062 . . . . 0.0 110.445 177.509 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 43.4 mmtm 58.33 25.43 12.77 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 121.3 0.571 . . . . 0.0 110.684 175.036 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 86.8 mt -73.35 133.23 43.76 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 115.496 -0.775 . . . . 0.0 109.928 -179.084 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 13.1 m -61.02 94.24 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 121.428 0.632 . . . . 0.0 111.212 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.409 ' O ' ' HB3' ' A' ' 17' ' ' LYS . 58.9 ttp180 -68.12 106.38 2.38 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.501 -0.772 . . . . 0.0 109.544 177.424 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.409 ' HB3' ' O ' ' A' ' 16' ' ' ARG . 85.3 tttt 67.65 112.01 0.04 OUTLIER 'General case' 0 C--O 1.234 0.286 0 O-C-N 123.76 0.662 . . . . 0.0 111.216 -173.625 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 89.3 m-70 -69.0 143.22 54.43 Favored 'General case' 0 C--O 1.237 0.413 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 172.072 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 75.7 mtp180 -67.66 139.66 56.8 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.023 0.44 . . . . 0.0 110.925 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -99.21 168.63 9.92 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.572 173.236 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 47.9 t -88.34 123.59 68.06 Favored Pre-proline 0 C--N 1.325 -0.481 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 176.304 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_endo -53.72 -23.55 26.85 Favored 'Trans proline' 0 CA--C 1.535 0.56 0 C-N-CA 122.964 2.443 . . . . 0.0 113.692 -169.891 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.536 ' NE ' ' HA ' ' A' ' 23' ' ' ARG . 4.1 mmp_? -106.2 -47.83 3.73 Favored 'General case' 0 N--CA 1.468 0.44 0 O-C-N 122.165 -0.334 . . . . 0.0 111.735 177.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.493 ' HB3' ' HB ' ' A' ' 28' ' ' VAL . 7.7 m -81.34 -0.06 39.41 Favored 'General case' 0 N--CA 1.474 0.771 0 N-CA-C 111.814 0.302 . . . . 0.0 111.814 -177.497 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -33.85 -62.19 0.45 Allowed Glycine 0 C--N 1.339 0.733 0 O-C-N 123.653 0.596 . . . . 0.0 114.133 -172.684 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 28.4 Cg_endo -62.75 98.65 0.2 Allowed 'Trans proline' 0 CA--C 1.534 0.493 0 C-N-CA 122.353 2.035 . . . . 0.0 112.108 176.223 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 106.54 -24.91 24.58 Favored Glycine 0 CA--C 1.518 0.248 0 CA-C-N 115.999 -0.546 . . . . 0.0 113.298 175.45 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.493 ' HB ' ' HB3' ' A' ' 24' ' ' CYS . 18.0 t -132.32 106.15 10.41 Favored 'Isoleucine or valine' 0 C--O 1.237 0.43 0 CA-C-N 117.187 0.494 . . . . 0.0 110.527 -178.651 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 41.7 p90 -72.02 -174.2 1.19 Allowed 'General case' 0 C--O 1.236 0.35 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.101 176.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.412 ' HG ' ' HB3' ' A' ' 37' ' ' TYR . 27.8 tp -106.31 113.72 27.41 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 177.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.21 97.17 0.03 OUTLIER 'General case' 0 C--O 1.233 0.219 0 CA-C-O 121.113 0.482 . . . . 0.0 110.78 -177.353 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 59.1 tt0 -84.48 125.22 32.19 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.633 -176.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 76.1 m-70 -128.13 156.47 42.81 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 176.48 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.32 -26.31 62.91 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 120.685 0.279 . . . . 0.0 111.609 -177.194 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -89.08 -36.26 15.86 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.487 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 15.5 ptp180 -168.52 166.22 12.16 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.326 0.584 . . . . 0.0 112.056 -169.629 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.412 ' HB3' ' HG ' ' A' ' 30' ' ' LEU . 62.1 m-85 -98.42 140.55 32.5 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 114.959 -1.018 . . . . 0.0 108.258 168.682 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 9.5 t -142.68 162.32 35.78 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 120.828 0.347 . . . . 0.0 110.112 -177.746 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.687 ' SG ' ' O ' ' A' ' 40' ' ' GLY . 46.1 t -149.19 127.99 12.54 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.589 -178.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.687 ' O ' ' SG ' ' A' ' 39' ' ' CYS . . . -73.39 -170.19 18.87 Favored Glycine 0 N--CA 1.443 -0.87 0 N-CA-C 109.468 -1.453 . . . . 0.0 109.468 161.764 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 14.5 mmt85 73.5 -48.17 0.67 Allowed 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 117.315 0.557 . . . . 0.0 111.243 175.636 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.416 ' SG ' ' HB2' ' A' ' 44' ' ' TYR . 15.7 p -126.87 -15.88 5.29 Favored 'General case' 0 C--N 1.342 0.267 0 C-N-CA 120.404 -0.518 . . . . 0.0 111.743 177.451 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 79.07 25.41 59.79 Favored Glycine 0 C--N 1.331 0.291 0 C-N-CA 120.399 -0.905 . . . . 0.0 112.474 179.701 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.416 ' HB2' ' SG ' ' A' ' 42' ' ' CYS . 79.3 t80 -71.54 116.0 11.38 Favored 'General case' 0 C--O 1.233 0.227 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 175.741 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 74.5 m -133.47 126.08 30.37 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.458 178.517 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -137.03 126.81 25.56 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -59.87 156.88 13.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.872 0.367 . . . . 0.0 111.658 -175.615 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 29.1 mmtt -57.98 88.65 0.01 OUTLIER 'General case' 0 C--O 1.232 0.164 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.496 176.365 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 85.7 tttt -58.41 -25.42 62.11 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 115.326 -0.852 . . . . 0.0 110.58 179.17 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . 59.62 -171.21 0.13 Allowed 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 115.793 -0.639 . . . . 0.0 111.508 175.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 2.7 ttmp? -104.76 112.78 26.01 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 176.72 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 94.4 mttt 55.67 47.83 19.78 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 121.228 0.537 . . . . 0.0 110.449 179.389 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 22.0 t -53.78 119.46 4.99 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 115.156 -0.929 . . . . 0.0 110.873 -177.18 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 39.3 ttpt 64.76 92.74 0.07 Allowed 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.693 -179.725 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 10.7 p . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.742 -0.647 . . . . 0.0 110.241 -179.01 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 86.1 mtp . . . . . 0 N--CA 1.483 1.179 0 CA-C-O 120.582 0.229 . . . . 0.0 110.445 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.1 pm0 -68.42 139.68 55.78 Favored 'General case' 0 C--O 1.234 0.239 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 174.235 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.627 ' HD2' ' N ' ' A' ' 3' ' ' LYS . 2.6 mptp? -72.64 96.04 1.94 Allowed 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.347 0.594 . . . . 0.0 110.52 -174.678 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 40.0 mmt180 -82.58 121.97 27.49 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.366 175.103 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.411 ' O ' ' HB2' ' A' ' 6' ' ' LEU . 36.4 mt-10 -83.59 50.42 1.79 Allowed 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 178.267 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.411 ' HB2' ' O ' ' A' ' 5' ' ' GLU . 7.7 mp 68.04 149.97 0.07 Allowed 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 115.092 -0.958 . . . . 0.0 110.291 -171.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 78.8 m-85 -67.88 -25.03 65.31 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-O 121.099 0.476 . . . . 0.0 110.01 178.345 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -90.23 91.71 8.63 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.577 174.339 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 23.6 pt -90.81 132.14 36.16 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.02 -179.25 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 62.47 -174.11 0.15 Allowed 'General case' 0 C--O 1.238 0.497 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.497 -177.304 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 25.8 t70 65.82 98.42 0.05 OUTLIER 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 121.097 0.475 . . . . 0.0 110.688 -178.856 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -88.23 -177.12 47.45 Favored Glycine 0 C--O 1.236 0.275 0 CA-C-N 115.869 -0.605 . . . . 0.0 112.253 -179.728 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 24.0 mtpp -95.99 70.1 2.85 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.593 0.711 . . . . 0.0 109.462 -178.442 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.562 ' HB2' ' HD2' ' A' ' 17' ' ' LYS . 1.8 pt? -78.7 19.54 0.5 Allowed 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 115.303 -0.862 . . . . 0.0 112.283 -172.379 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 60.3 t -59.91 -41.29 85.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.872 0.368 . . . . 0.0 110.626 179.726 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 22.9 tpt180 -122.38 97.55 5.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 109.817 176.659 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.562 ' HD2' ' HB2' ' A' ' 14' ' ' LEU . 48.1 mtpt -99.66 172.21 7.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.202 178.069 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 6.5 p-80 -175.01 170.44 3.21 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.85 -177.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 75.7 ttt180 -60.79 135.04 57.66 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.554 177.076 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 90.3 m-85 -81.16 -179.23 7.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.138 176.861 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.405 ' O ' ' N ' ' A' ' 25' ' ' GLY . 46.1 t -71.25 121.7 84.99 Favored Pre-proline 0 C--N 1.33 -0.277 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 -179.282 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -38.62 -45.87 2.46 Favored 'Trans proline' 0 C--N 1.35 0.647 0 C-N-CA 123.514 2.81 . . . . 0.0 113.991 -171.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 5.1 mmp_? -91.48 -47.52 7.38 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.507 -176.471 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.559 ' HB3' ' HB ' ' A' ' 28' ' ' VAL . 8.3 m -81.57 -1.25 45.68 Favored 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 111.597 0.221 . . . . 0.0 111.597 -175.527 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.405 ' N ' ' O ' ' A' ' 21' ' ' CYS . . . -40.82 -64.0 1.34 Allowed Glycine 0 C--N 1.338 0.648 0 O-C-N 123.495 0.497 . . . . 0.0 114.168 -171.357 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_endo -68.02 83.78 0.44 Allowed 'Trans proline' 0 N--CA 1.461 -0.441 0 C-N-CA 122.116 1.877 . . . . 0.0 111.725 177.071 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 131.36 -25.13 4.09 Favored Glycine 0 CA--C 1.519 0.326 0 CA-C-N 115.985 -0.552 . . . . 0.0 113.373 175.706 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.559 ' HB ' ' HB3' ' A' ' 24' ' ' CYS . 42.3 t -132.3 133.2 60.41 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.42 0 CA-C-N 117.265 0.532 . . . . 0.0 110.754 -178.888 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 49.4 p90 -77.27 178.72 6.88 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.612 -178.353 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 44.7 tp -127.5 107.96 10.39 Favored 'General case' 0 C--O 1.234 0.269 0 N-CA-C 108.987 -0.746 . . . . 0.0 108.987 174.82 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.491 ' HB3' ' HB3' ' A' ' 38' ' ' SER . . . -62.62 97.9 0.11 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.881 0.372 . . . . 0.0 110.981 -176.455 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -82.25 132.1 35.23 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.549 -179.779 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 75.9 m-70 -134.84 155.56 50.43 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 176.509 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.23 -22.82 53.7 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.922 0.392 . . . . 0.0 111.435 -177.49 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -94.16 -34.96 12.73 Favored 'General case' 0 C--O 1.237 0.422 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.464 -179.627 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 21.4 ptt180 -173.4 168.02 4.63 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 121.225 0.536 . . . . 0.0 111.848 -170.464 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 50.1 m-85 -99.91 148.87 24.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.322 -0.854 . . . . 0.0 109.159 173.722 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.491 ' HB3' ' HB3' ' A' ' 31' ' ' ALA . 32.6 t -135.09 147.85 49.67 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.044 0.45 . . . . 0.0 111.034 -177.176 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.4 ' HB3' ' HB3' ' A' ' 44' ' ' TYR . 41.8 t -141.03 89.67 2.26 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.89 174.299 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -71.17 63.33 1.0 Allowed Glycine 0 CA--C 1.521 0.434 0 O-C-N 123.417 0.448 . . . . 0.0 112.286 176.083 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.411 ' HD2' ' HA ' ' A' ' 41' ' ' ARG . 20.7 tpt180 -161.04 -29.97 0.05 Allowed 'General case' 0 CA--C 1.532 0.26 0 N-CA-C 109.955 -0.387 . . . . 0.0 109.955 -178.484 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 15.5 p -139.01 3.46 2.21 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-O 120.706 0.289 . . . . 0.0 110.421 172.066 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 77.35 15.55 81.36 Favored Glycine 0 C--N 1.334 0.463 0 C-N-CA 121.152 -0.547 . . . . 0.0 112.993 175.401 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.4 ' HB3' ' HB3' ' A' ' 39' ' ' CYS . 72.7 t80 -64.39 107.05 1.24 Allowed 'General case' 0 C--O 1.237 0.424 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 178.22 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 14.8 m -128.23 115.76 18.84 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.288 -0.869 . . . . 0.0 109.545 -179.821 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -132.27 129.6 39.8 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.087 -178.181 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 82.7 m-85 -72.97 151.95 41.59 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.867 0.365 . . . . 0.0 110.86 -178.234 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 44.0 mmtt -61.88 93.7 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.638 -0.71 . . . . 0.0 112.515 -176.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 14.6 mptt -75.43 103.18 5.46 Favored 'General case' 0 C--O 1.235 0.306 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 167.758 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -66.42 112.64 4.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.631 -179.529 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.48 ' HB3' ' HE2' ' A' ' 51' ' ' LYS . 42.0 mtpt -134.21 164.54 27.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.567 179.498 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 29.5 mtpp -123.63 155.85 36.93 Favored 'General case' 0 C--O 1.238 0.478 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.638 177.282 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 32.0 t -83.69 155.72 22.99 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.865 -0.42 . . . . 0.0 109.865 178.572 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 11.5 ptmm? -64.44 152.22 42.16 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.065 -179.622 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 20.3 m . . . . . 0 C--O 1.245 0.851 0 CA-C-N 115.967 -0.561 . . . . 0.0 109.494 174.503 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.2 ptp . . . . . 0 N--CA 1.48 1.053 0 CA-C-O 120.882 0.372 . . . . 0.0 110.495 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 22.8 tt0 -157.0 128.85 7.16 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.032 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 39.4 ttmt -157.33 149.21 22.39 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.519 -0.549 . . . . 0.0 109.519 179.294 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.5 79.89 0.57 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.313 0.578 . . . . 0.0 110.783 -178.734 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -84.53 4.91 29.77 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.392 178.159 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 82.9 mt -80.45 -13.63 58.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.952 -177.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 61.1 m-85 63.3 -169.0 0.19 Allowed 'General case' 0 C--O 1.237 0.4 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.307 178.645 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -104.79 147.54 27.6 Favored 'General case' 0 C--O 1.237 0.423 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.653 -179.604 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 26.7 pt -79.73 172.59 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.417 -176.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -104.16 -170.81 1.83 Allowed 'General case' 0 C--O 1.235 0.334 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.8 -179.415 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -97.78 147.23 24.6 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-O 120.777 0.322 . . . . 0.0 110.877 179.657 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -93.28 -174.46 40.5 Favored Glycine 0 N--CA 1.451 -0.326 0 N-CA-C 111.404 -0.678 . . . . 0.0 111.404 174.058 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -112.11 -27.9 8.19 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.068 0.461 . . . . 0.0 110.233 176.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.444 HD12 ' O ' ' A' ' 14' ' ' LEU . 3.2 pp -71.05 150.53 45.48 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.01 174.206 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 16.2 m -103.92 76.65 0.48 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.336 0 CA-C-O 121.578 0.704 . . . . 0.0 111.697 -176.418 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.428 ' HB3' ' H ' ' A' ' 17' ' ' LYS . 80.9 mtt85 57.08 -157.5 0.28 Allowed 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 114.958 -1.019 . . . . 0.0 113.13 170.82 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.428 ' H ' ' HB3' ' A' ' 16' ' ' ARG . 22.0 tptm -83.43 25.0 0.78 Allowed 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 123.288 0.635 . . . . 0.0 112.211 -167.219 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 67.1 m-70 64.69 -175.66 0.17 Allowed 'General case' 0 N--CA 1.469 0.492 0 CA-C-O 120.942 0.401 . . . . 0.0 111.434 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 72.2 mtt85 -126.49 152.88 45.87 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.865 -178.523 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 62.7 m-85 -119.15 -179.66 3.9 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.963 -179.104 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.466 ' SG ' ' HD2' ' A' ' 22' ' ' PRO . 49.3 t -78.09 140.8 62.06 Favored Pre-proline 0 N--CA 1.463 0.221 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 178.093 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.466 ' HD2' ' SG ' ' A' ' 21' ' ' CYS . 52.0 Cg_exo -51.52 -71.48 0.04 OUTLIER 'Trans proline' 0 C--N 1.348 0.551 0 C-N-CA 122.32 2.013 . . . . 0.0 112.776 -176.321 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 79.4 mtm-85 -76.56 -38.43 55.0 Favored 'General case' 0 CA--C 1.532 0.265 0 N-CA-C 112.319 0.489 . . . . 0.0 112.319 -171.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.439 ' HB3' ' HB ' ' A' ' 28' ' ' VAL . 4.3 m -80.92 -3.67 52.27 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 120.908 -0.317 . . . . 0.0 110.97 -179.876 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -42.05 -58.18 3.32 Favored Glycine 0 C--N 1.339 0.72 0 O-C-N 123.492 0.495 . . . . 0.0 113.399 -173.282 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_exo -60.29 88.57 0.08 OUTLIER 'Trans proline' 0 CA--C 1.532 0.394 0 C-N-CA 122.263 1.976 . . . . 0.0 111.686 173.441 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 115.64 -25.13 9.84 Favored Glycine 0 CA--C 1.522 0.481 0 CA-C-N 116.028 -0.533 . . . . 0.0 113.518 175.004 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.439 ' HB ' ' HB3' ' A' ' 24' ' ' CYS . 39.9 t -128.13 120.07 52.56 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.438 0 CA-C-N 117.52 0.66 . . . . 0.0 110.942 -177.405 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 48.4 p90 -76.25 -174.49 2.82 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.52 177.549 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 34.7 tp -118.91 119.99 35.98 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 175.896 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -66.09 90.24 0.14 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.25 0.548 . . . . 0.0 110.938 -176.227 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -77.84 102.26 7.16 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.512 178.728 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 67.4 m-70 -106.38 153.58 22.03 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.195 -0.668 . . . . 0.0 109.195 175.339 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.57 -24.0 63.37 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 120.849 0.357 . . . . 0.0 111.029 -179.74 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -82.62 -40.93 20.13 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.89 177.845 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.494 ' CB ' ' HA ' ' A' ' 47' ' ' PHE . 16.2 ptt180 -179.15 173.23 1.17 Allowed 'General case' 0 C--O 1.233 0.209 0 CA-C-O 121.09 0.472 . . . . 0.0 111.442 -173.695 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 41.0 m-85 -98.17 138.55 35.28 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.423 -0.808 . . . . 0.0 109.392 175.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 22.0 p -135.4 151.68 50.69 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.958 0.408 . . . . 0.0 110.584 178.433 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.496 ' SG ' ' HB3' ' A' ' 41' ' ' ARG . 48.8 t -134.84 88.3 2.42 Favored 'General case' 0 C--O 1.239 0.535 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.582 177.787 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -65.18 72.2 0.08 OUTLIER Glycine 0 C--N 1.333 0.405 0 N-CA-C 111.462 -0.655 . . . . 0.0 111.462 172.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.496 ' HB3' ' SG ' ' A' ' 39' ' ' CYS . 25.8 tpt180 -168.95 -38.66 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 -174.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 29.1 p -136.98 -2.08 2.12 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.308 176.881 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 77.64 28.7 56.78 Favored Glycine 0 C--N 1.334 0.445 0 C-N-CA 120.849 -0.691 . . . . 0.0 112.412 178.629 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 69.3 t80 -86.98 109.04 19.11 Favored 'General case' 0 C--O 1.236 0.386 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 176.585 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 39.1 m -130.74 134.59 47.02 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.808 179.695 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.428 ' O ' ' HB2' ' A' ' 36' ' ' ARG . 10.6 tp10 -142.68 133.43 25.38 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.913 -0.403 . . . . 0.0 109.913 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.494 ' HA ' ' CB ' ' A' ' 36' ' ' ARG . 93.0 m-85 -72.87 151.96 41.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.036 0.446 . . . . 0.0 111.749 -175.731 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 43.3 mmtt -68.92 123.58 21.39 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 115.613 -0.722 . . . . 0.0 111.578 -179.185 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 12.7 mptt -92.13 -169.67 2.31 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.613 -0.721 . . . . 0.0 109.267 171.08 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -74.99 8.7 2.35 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-O 120.766 0.317 . . . . 0.0 111.113 176.792 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.489 ' HE2' ' HB2' ' A' ' 51' ' ' LYS . 21.5 ttmm -53.93 99.16 0.02 OUTLIER 'General case' 0 C--O 1.233 0.216 0 C-N-CA 123.297 0.639 . . . . 0.0 110.792 178.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 58.0 tptt -170.93 146.76 2.56 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.783 -0.19 . . . . 0.0 110.872 -175.716 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 28.5 t 74.47 100.36 0.07 Allowed 'General case' 0 CA--C 1.534 0.337 0 O-C-N 123.884 0.74 . . . . 0.0 112.332 171.713 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 60.6 tttm 63.59 162.71 0.11 Allowed 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 115.486 -0.779 . . . . 0.0 112.364 172.183 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 24.3 t . . . . . 0 C--O 1.252 1.216 0 N-CA-C 108.725 -0.843 . . . . 0.0 108.725 173.101 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.9 mtt . . . . . 0 N--CA 1.484 1.272 0 CA-C-O 120.849 0.356 . . . . 0.0 110.566 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 -134.7 146.43 49.45 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.753 -178.65 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -107.19 156.9 18.34 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.845 0.355 . . . . 0.0 110.724 -179.243 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.4 ' HA ' ' NE ' ' A' ' 4' ' ' ARG . 2.2 tpm_? -76.36 96.97 4.12 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 173.659 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -103.43 -76.76 0.58 Allowed 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 112.054 0.391 . . . . 0.0 112.054 -170.033 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 90.1 mt -82.14 95.41 7.49 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.902 -173.413 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 52.1 m-85 -59.82 133.39 56.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.866 175.852 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -55.65 142.42 34.05 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.36 -176.875 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 24.8 pt -85.79 114.39 25.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 121.078 0.466 . . . . 0.0 110.109 176.761 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -89.74 85.44 6.43 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.99 -175.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -157.85 154.43 27.98 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.015 -0.539 . . . . 0.0 109.818 177.896 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 126.64 49.06 0.18 Allowed Glycine 0 N--CA 1.454 -0.157 0 N-CA-C 111.544 -0.622 . . . . 0.0 111.544 -178.104 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 48.5 mtmt -107.23 104.05 13.57 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 122.474 0.31 . . . . 0.0 110.653 -177.353 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 67.1 mt 58.76 46.65 13.91 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.821 176.627 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 88.5 t -63.77 132.78 29.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.949 -179.534 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 21.2 tpt180 -65.59 96.75 0.28 Allowed 'General case' 0 CA--C 1.532 0.257 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 174.184 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -108.35 122.12 46.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.963 0.411 . . . . 0.0 111.487 -174.21 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 4.5 m170 -120.08 178.42 4.63 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 108.874 -0.788 . . . . 0.0 108.874 169.8 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.405 HH21 ' CD ' ' A' ' 32' ' ' GLU . 9.1 mtm180 -79.31 139.11 37.92 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.237 0.541 . . . . 0.0 112.103 -174.735 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -108.64 -179.68 3.94 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 115.359 -0.837 . . . . 0.0 109.961 177.878 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.649 ' SG ' ' HD2' ' A' ' 22' ' ' PRO . 44.5 t -101.55 143.18 26.09 Favored Pre-proline 0 C--N 1.33 -0.256 0 N-CA-C 110.133 -0.321 . . . . 0.0 110.133 179.091 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.649 ' HD2' ' SG ' ' A' ' 21' ' ' CYS . 18.2 Cg_endo -58.73 -48.93 13.0 Favored 'Trans proline' 0 C--N 1.35 0.657 0 C-N-CA 122.266 1.978 . . . . 0.0 112.718 -175.094 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 30.3 mmt180 -88.02 -60.17 2.04 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-O 120.768 0.318 . . . . 0.0 110.98 -176.131 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.8 m -71.5 -1.25 12.67 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 111.778 0.288 . . . . 0.0 111.778 -175.612 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -34.26 -67.07 0.26 Allowed Glycine 0 C--N 1.342 0.875 0 O-C-N 123.622 0.576 . . . . 0.0 114.363 -172.682 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -55.6 95.98 0.05 OUTLIER 'Trans proline' 0 C--O 1.238 0.504 0 C-N-CA 122.382 2.054 . . . . 0.0 112.087 178.2 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 106.02 -24.31 26.9 Favored Glycine 0 C--N 1.331 0.259 0 CA-C-N 116.067 -0.515 . . . . 0.0 112.891 176.594 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 19.3 t -126.77 98.72 4.95 Favored 'Isoleucine or valine' 0 C--O 1.239 0.523 0 CA-C-N 117.032 0.416 . . . . 0.0 110.732 -177.6 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 48.4 p90 -72.81 174.48 7.64 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.232 177.327 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.429 HD21 ' HB3' ' A' ' 37' ' ' TYR . 51.9 tp -94.99 118.75 32.34 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 177.723 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.99 88.11 0.01 OUTLIER 'General case' 0 C--O 1.234 0.274 0 CA-C-O 121.324 0.583 . . . . 0.0 110.071 178.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.405 ' CD ' HH21 ' A' ' 19' ' ' ARG . 43.5 tt0 -82.19 111.96 18.77 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.197 -0.91 . . . . 0.0 110.397 -176.352 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.427 ' O ' ' HE3' ' A' ' 48' ' ' LYS . 90.1 m-70 -118.0 156.49 28.46 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.046 179.109 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.2 -26.84 68.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.137 0.494 . . . . 0.0 110.717 177.891 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -80.87 -36.64 31.08 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.432 179.049 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 6.1 ptp180 -177.06 -178.2 0.8 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.16 0.505 . . . . 0.0 111.193 -167.554 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.429 ' HB3' HD21 ' A' ' 30' ' ' LEU . 47.1 m-85 -113.83 139.4 49.18 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.563 -0.903 . . . . 0.0 108.563 174.211 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.41 ' O ' HD12 ' A' ' 30' ' ' LEU . 46.9 t -137.58 156.19 48.36 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.663 0.268 . . . . 0.0 110.385 -178.225 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.615 ' SG ' ' O ' ' A' ' 40' ' ' GLY . 53.4 t -149.17 124.84 10.44 Favored 'General case' 0 CA--C 1.514 -0.43 0 N-CA-C 111.815 0.302 . . . . 0.0 111.815 178.18 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.615 ' O ' ' SG ' ' A' ' 39' ' ' CYS . . . -66.08 178.54 12.82 Favored Glycine 0 N--CA 1.447 -0.576 0 N-CA-C 110.004 -1.238 . . . . 0.0 110.004 162.685 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.513 ' HB2' ' O ' ' A' ' 40' ' ' GLY . 9.4 mmt180 76.56 -48.2 0.55 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 117.238 0.519 . . . . 0.0 111.587 177.598 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.417 ' SG ' ' HB2' ' A' ' 44' ' ' TYR . 20.9 p -125.13 -13.67 6.72 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 119.922 -0.711 . . . . 0.0 112.061 179.801 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 76.19 19.56 78.32 Favored Glycine 0 C--N 1.333 0.363 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.676 178.185 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.417 ' HB2' ' SG ' ' A' ' 42' ' ' CYS . 71.6 t80 -61.07 126.53 27.71 Favored 'General case' 0 C--O 1.234 0.278 0 N-CA-C 109.887 -0.412 . . . . 0.0 109.887 179.755 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 5.7 m -134.15 140.64 46.68 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.955 -177.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -150.84 105.98 3.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.177 -179.488 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.799 ' HB2' ' HB2' ' A' ' 50' ' ' ALA . 72.4 m-85 -67.54 136.81 55.1 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 110.28 -0.267 . . . . 0.0 110.28 178.239 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.427 ' HE3' ' O ' ' A' ' 33' ' ' HIS . 74.2 mttt -66.32 -31.47 72.28 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.324 -179.665 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 54.8 mtpt -103.18 30.81 4.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.02 0.438 . . . . 0.0 110.731 179.243 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.799 ' HB2' ' HB2' ' A' ' 47' ' ' PHE . . . -96.24 14.52 23.84 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.723 176.331 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 2.6 mmpm? -83.5 -86.25 0.11 Allowed 'General case' 0 C--O 1.236 0.379 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 177.57 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 30.0 mmtp -156.13 71.03 0.71 Allowed 'General case' 0 C--O 1.233 0.224 0 C-N-CA 123.15 0.58 . . . . 0.0 109.486 177.838 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 18.7 m -61.82 103.75 0.38 Allowed 'General case' 0 C--O 1.236 0.392 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.024 178.671 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 23.3 tptm -75.66 118.33 18.38 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.639 -174.347 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 5.1 p . . . . . 0 C--O 1.252 1.195 0 CA-C-O 118.705 -0.664 . . . . 0.0 110.535 177.908 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.458 ' SD ' ' N ' ' A' ' 1' ' ' MET . 1.1 mpt? . . . . . 0 N--CA 1.48 1.053 0 CA-C-O 120.603 0.239 . . . . 0.0 110.498 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -125.49 124.93 42.44 Favored 'General case' 0 C--O 1.233 0.224 0 C-N-CA 122.604 0.362 . . . . 0.0 110.186 178.746 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 55.0 mtmt -139.87 11.74 2.45 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.215 -177.675 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 7.8 mpt_? -88.63 144.53 26.24 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.83 0.348 . . . . 0.0 111.135 -178.837 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.425 ' HA ' ' CE2' ' A' ' 7' ' ' TYR . 42.8 mt-10 68.58 25.95 6.5 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 115.373 -0.831 . . . . 0.0 112.463 174.455 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 85.5 mt -78.8 77.86 5.26 Favored 'General case' 0 CA--C 1.534 0.327 0 CA-C-O 120.99 0.424 . . . . 0.0 110.248 175.788 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.425 ' CE2' ' HA ' ' A' ' 5' ' ' GLU . 10.1 p90 -146.17 171.06 15.48 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.371 178.828 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -72.43 131.61 42.8 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.029 177.773 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 65.2 mt -62.72 140.19 19.91 Favored 'Isoleucine or valine' 0 C--O 1.235 0.298 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.393 178.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.13 106.66 0.21 Allowed 'General case' 0 C--O 1.236 0.391 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.288 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -129.91 127.35 39.97 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.084 178.614 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -74.52 94.07 0.83 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 121.307 -0.473 . . . . 0.0 111.958 -179.598 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.49 ' HE3' ' HA ' ' A' ' 13' ' ' LYS . 0.4 OUTLIER -113.56 147.12 38.58 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 -179.571 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.9 tt -78.06 119.96 22.22 Favored 'General case' 0 C--O 1.235 0.333 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 178.721 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 28.9 m -60.08 145.24 12.04 Favored 'Isoleucine or valine' 0 C--O 1.235 0.32 0 CA-C-O 121.037 0.446 . . . . 0.0 111.108 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 52.4 mtt180 -127.66 161.93 27.74 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.145 -0.48 . . . . 0.0 109.932 -176.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -71.92 92.77 1.29 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.141 0.496 . . . . 0.0 111.552 -171.583 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 12.0 m170 -79.02 83.5 5.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.624 174.497 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 67.4 mtt-85 -73.65 165.69 24.64 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.305 0.574 . . . . 0.0 110.986 178.685 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 58.0 m-85 -96.31 178.34 5.41 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.299 -0.864 . . . . 0.0 109.17 176.316 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 48.6 t -82.31 133.59 50.18 Favored Pre-proline 0 C--N 1.321 -0.638 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 179.372 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -43.35 -60.76 0.68 Allowed 'Trans proline' 0 C--N 1.349 0.604 0 C-N-CA 122.753 2.302 . . . . 0.0 113.235 -171.494 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 54.2 mtm180 -87.57 -35.56 18.04 Favored 'General case' 0 CA--C 1.532 0.273 0 N-CA-C 112.448 0.536 . . . . 0.0 112.448 -174.608 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.54 ' HB3' ' HB ' ' A' ' 28' ' ' VAL . 4.3 m -83.54 -1.39 53.63 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 120.735 -0.386 . . . . 0.0 111.111 -178.882 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -42.2 -56.15 4.06 Favored Glycine 0 CA--C 1.523 0.534 0 O-C-N 123.524 0.515 . . . . 0.0 114.273 -173.059 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 48.3 Cg_endo -68.78 76.71 0.79 Allowed 'Trans proline' 0 CA--C 1.534 0.519 0 C-N-CA 122.34 2.026 . . . . 0.0 112.179 177.288 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 131.35 -25.49 4.04 Favored Glycine 0 C--N 1.333 0.402 0 CA-C-N 116.131 -0.486 . . . . 0.0 113.192 174.645 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.54 ' HB ' ' HB3' ' A' ' 24' ' ' CYS . 39.7 t -129.51 114.72 32.12 Favored 'Isoleucine or valine' 0 C--O 1.237 0.423 0 CA-C-N 117.114 0.457 . . . . 0.0 110.564 -179.428 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 20.2 p90 -72.92 -167.06 0.35 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.075 -179.444 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 33.7 tp -132.42 105.84 7.52 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 177.307 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.66 115.62 4.11 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.4 -175.245 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -88.19 125.35 34.58 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-O 121.183 0.516 . . . . 0.0 111.131 179.245 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 57.5 m-70 -124.31 151.74 43.91 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 107.917 -1.142 . . . . 0.0 107.917 169.349 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.02 -22.65 61.02 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.204 0.526 . . . . 0.0 110.227 179.177 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -81.56 -43.23 18.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.193 -0.912 . . . . 0.0 110.886 179.394 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.4 ' CB ' ' HA ' ' A' ' 47' ' ' PHE . 32.2 ptt180 -173.48 -179.9 1.97 Allowed 'General case' 0 CA--C 1.531 0.22 0 CA-C-O 121.241 0.543 . . . . 0.0 111.827 -167.715 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 82.1 m-85 -104.66 147.18 27.94 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 115.059 -0.973 . . . . 0.0 109.016 173.165 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 24.0 t -134.45 140.44 46.25 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-O 120.786 0.327 . . . . 0.0 110.8 -179.38 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.607 ' SG ' ' O ' ' A' ' 40' ' ' GLY . 42.6 t -139.42 125.87 20.37 Favored 'General case' 0 CA--C 1.514 -0.414 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.651 177.464 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.607 ' O ' ' SG ' ' A' ' 39' ' ' CYS . . . -70.47 176.91 34.25 Favored Glycine 0 N--CA 1.444 -0.814 0 N-CA-C 110.12 -1.192 . . . . 0.0 110.12 164.165 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.425 ' HB3' ' O ' ' A' ' 40' ' ' GLY . 35.4 ttt85 76.09 -44.21 0.49 Allowed 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 122.936 0.494 . . . . 0.0 112.168 175.097 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.511 ' SG ' ' HB2' ' A' ' 44' ' ' TYR . 9.6 p -127.66 -6.04 5.75 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 119.656 -0.818 . . . . 0.0 111.957 177.106 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 70.46 22.69 77.81 Favored Glycine 0 C--N 1.334 0.438 0 C-N-CA 120.435 -0.888 . . . . 0.0 112.292 174.87 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.511 ' HB2' ' SG ' ' A' ' 42' ' ' CYS . 62.3 t80 -59.12 104.92 0.28 Allowed 'General case' 0 C--O 1.236 0.383 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 177.036 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 6.1 m -125.99 108.39 11.35 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.123 -179.748 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -134.06 127.29 31.92 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.288 -177.181 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.47 ' C ' ' H ' ' A' ' 49' ' ' LYS . 70.2 m-85 -61.44 156.93 18.07 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.758 -177.1 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 54.0 mmtt -70.61 20.68 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.692 174.691 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.47 ' H ' ' C ' ' A' ' 47' ' ' PHE . 38.5 ttmt -71.95 92.51 1.28 Allowed 'General case' 0 C--O 1.234 0.279 0 C-N-CA 122.75 0.42 . . . . 0.0 109.876 179.407 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -67.74 100.6 0.94 Allowed 'General case' 0 C--O 1.235 0.304 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.078 -178.224 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.414 ' HE3' ' HB3' ' A' ' 51' ' ' LYS . 22.1 mtpp -127.14 -41.34 1.78 Allowed 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.843 176.471 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 61.6 tttm -109.93 116.46 31.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.784 177.301 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 35.7 t 69.8 173.35 0.3 Allowed 'General case' 0 CA--C 1.535 0.375 0 O-C-N 123.649 0.593 . . . . 0.0 110.833 179.684 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 44.3 mtmt -86.61 -49.0 7.84 Favored 'General case' 0 C--O 1.238 0.492 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 176.674 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 23.3 p . . . . . 0 C--O 1.251 1.155 0 CA-C-N 114.579 -1.192 . . . . 0.0 108.792 176.928 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 . . . . . 0 N--CA 1.463 0.208 0 CA-C-O 121.318 0.58 . . . . 0.0 111.514 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.427 ' O ' ' N ' ' A' ' 25' ' ' GLY . 43.9 t -87.93 118.46 69.69 Favored Pre-proline 0 C--N 1.327 -0.409 0 N-CA-C 108.566 -0.902 . . . . 0.0 108.566 175.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_exo -37.38 -58.43 0.59 Allowed 'Trans proline' 0 C--N 1.349 0.567 0 C-N-CA 123.574 2.849 . . . . 0.0 114.092 -165.404 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 41.8 mtm180 -86.39 -29.89 22.56 Favored 'General case' 0 CA--C 1.534 0.334 0 N-CA-C 112.244 0.461 . . . . 0.0 112.244 -173.509 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.551 ' HB3' ' HB ' ' A' ' 28' ' ' VAL . 8.2 m -89.47 -6.32 56.56 Favored 'General case' 0 N--CA 1.473 0.716 0 O-C-N 122.313 -0.242 . . . . 0.0 111.145 -179.11 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.427 ' N ' ' O ' ' A' ' 21' ' ' CYS . . . -40.81 -65.95 0.96 Allowed Glycine 0 C--N 1.336 0.546 0 O-C-N 123.73 0.644 . . . . 0.0 113.693 -169.511 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_exo -65.77 90.79 0.24 Allowed 'Trans proline' 0 C--O 1.235 0.365 0 C-N-CA 122.292 1.995 . . . . 0.0 111.326 175.538 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 124.65 -24.77 6.04 Favored Glycine 0 C--N 1.329 0.163 0 CA-C-N 116.133 -0.485 . . . . 0.0 112.513 177.149 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.551 ' HB ' ' HB3' ' A' ' 24' ' ' CYS . 25.3 t -136.22 98.96 1.95 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.503 0 CA-C-O 120.751 0.31 . . . . 0.0 110.524 178.67 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 17.2 p90 -64.17 160.76 17.7 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.169 -0.469 . . . . 0.0 109.895 175.293 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.683 ' HG ' ' HB3' ' A' ' 37' ' ' TYR . 26.7 tp -93.43 111.36 23.01 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 108.376 -0.972 . . . . 0.0 108.376 176.13 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.465 ' O ' ' HA ' ' A' ' 37' ' ' TYR . . . -52.26 92.33 0.01 OUTLIER 'General case' 0 C--O 1.235 0.305 0 O-C-N 123.513 0.508 . . . . 0.0 111.42 -174.144 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 44.9 tt0 -78.24 107.16 10.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.718 -179.202 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 90.9 m-70 -102.92 160.96 14.14 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.329 -0.85 . . . . 0.0 109.451 173.481 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.3 -27.22 54.76 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.183 0.438 . . . . 0.0 112.183 -175.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -110.44 -15.91 13.81 Favored 'General case' 0 CA--C 1.532 0.258 0 N-CA-C 112.189 0.44 . . . . 0.0 112.189 -175.039 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 34.6 ptt-85 -171.0 -169.69 0.78 Allowed 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 120.472 -0.491 . . . . 0.0 111.894 -173.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.683 ' HB3' ' HG ' ' A' ' 30' ' ' LEU . 51.7 m-85 -131.24 160.31 35.25 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 124.16 0.984 . . . . 0.0 108.628 179.069 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 9.6 t -157.26 162.3 39.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.785 0.326 . . . . 0.0 110.378 173.036 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 37.0 t -134.71 90.97 2.71 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.642 -177.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -66.01 78.55 0.11 Allowed Glycine 0 C--N 1.332 0.337 0 N-CA-C 111.579 -0.609 . . . . 0.0 111.579 173.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 8.2 tpt180 -176.94 -51.28 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 -176.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.4 ' SG ' ' HB2' ' A' ' 44' ' ' TYR . 14.3 p -127.26 4.82 6.34 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.668 178.612 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 77.25 12.37 84.66 Favored Glycine 0 C--N 1.335 0.527 0 C-N-CA 121.01 -0.614 . . . . 0.0 113.207 175.124 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.4 ' HB2' ' SG ' ' A' ' 42' ' ' CYS . 51.3 t80 -69.91 111.25 5.5 Favored 'General case' 0 C--O 1.236 0.384 0 N-CA-C 109.67 -0.492 . . . . 0.0 109.67 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.447 HG23 ' O ' ' A' ' 37' ' ' TYR . 98.9 m -124.53 135.91 53.56 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.682 179.147 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -141.8 147.23 36.94 Favored 'General case' 0 C--O 1.22 -0.497 0 N-CA-C 108.608 -0.886 . . . . 0.0 108.608 -177.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -96.03 153.0 18.01 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 118.176 0.444 . . . . 0.0 111.625 -176.148 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 67.9 mmtt . . . . . 0 C--O 1.234 0.279 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 171.212 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 75.7 m-85 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.703 0.287 . . . . 0.0 110.361 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.403 ' O ' ' N ' ' A' ' 25' ' ' GLY . 42.6 t -71.0 125.44 92.01 Favored Pre-proline 0 C--N 1.328 -0.361 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 -179.693 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -44.63 -46.64 12.16 Favored 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 122.785 2.323 . . . . 0.0 113.407 -171.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 29.6 mmt85 -87.7 -44.59 11.06 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 112.021 -175.711 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.471 ' HB3' ' HB ' ' A' ' 28' ' ' VAL . 5.6 m -87.63 -0.76 57.32 Favored 'General case' 0 N--CA 1.473 0.724 0 N-CA-C 111.828 0.307 . . . . 0.0 111.828 -175.185 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 21' ' ' CYS . . . -38.28 -62.04 1.14 Allowed Glycine 0 N--CA 1.464 0.54 0 O-C-N 123.607 0.567 . . . . 0.0 114.23 -171.673 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 26.8 Cg_exo -63.09 81.63 0.11 Allowed 'Trans proline' 0 CA--C 1.534 0.504 0 C-N-CA 122.577 2.184 . . . . 0.0 112.218 177.577 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 125.59 -24.84 5.75 Favored Glycine 0 CA--C 1.519 0.34 0 C-N-CA 121.35 -0.452 . . . . 0.0 112.954 176.41 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.471 ' HB ' ' HB3' ' A' ' 24' ' ' CYS . 43.0 t -132.76 109.67 14.74 Favored 'Isoleucine or valine' 0 C--O 1.238 0.49 0 CA-C-O 121.019 0.438 . . . . 0.0 111.016 -178.851 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 31.8 p90 -71.12 -171.94 0.63 Allowed 'General case' 0 C--O 1.236 0.358 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.979 177.13 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 36.4 tp -110.23 113.85 26.85 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 176.58 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.91 112.82 3.09 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-O 120.865 0.364 . . . . 0.0 110.73 -176.316 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -90.65 116.76 28.78 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.577 -179.051 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 66.0 m-70 -112.34 152.58 28.4 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 175.02 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -53.83 -31.48 49.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.868 0.366 . . . . 0.0 111.675 -176.42 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 28.9 m-20 -89.69 -34.82 16.11 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.79 -178.038 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 13.0 ptp180 -167.54 171.42 10.36 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 121.121 0.486 . . . . 0.0 111.551 -169.083 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 88.2 m-85 -98.34 153.09 18.79 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.714 -0.676 . . . . 0.0 109.235 173.078 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.454 ' HA ' ' HA ' ' A' ' 45' ' ' THR . 22.1 t -152.96 163.01 40.62 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.083 0.468 . . . . 0.0 110.523 178.667 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 35.1 t -138.97 91.19 2.5 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.017 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -65.72 75.64 0.11 Allowed Glycine 0 N--CA 1.451 -0.318 0 O-C-N 123.628 0.58 . . . . 0.0 111.944 175.761 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 11.8 tpt180 -171.45 -54.43 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.338 -0.615 . . . . 0.0 109.338 -179.034 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 25.4 p -114.59 -7.51 12.77 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.743 176.539 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 83.75 21.24 58.21 Favored Glycine 0 C--N 1.336 0.577 0 C-N-CA 121.036 -0.602 . . . . 0.0 113.034 178.074 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 62.5 t80 -71.89 102.92 3.02 Favored 'General case' 0 C--O 1.235 0.305 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 175.131 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.454 ' HA ' ' HA ' ' A' ' 38' ' ' SER . 53.7 m -128.93 114.05 15.97 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.818 -177.598 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -134.54 138.59 44.76 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.054 -0.521 . . . . 0.0 109.772 -174.395 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -63.38 157.49 22.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.536 -175.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 38.1 mmtt . . . . . 0 CA--C 1.533 0.293 0 CA-C-O 121.282 0.563 . . . . 0.0 110.177 172.953 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 85.5 m-85 . . . . . 0 N--CA 1.456 -0.171 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 43.3 t -69.64 122.8 86.98 Favored Pre-proline 0 C--N 1.324 -0.518 0 N-CA-C 109.708 -0.478 . . . . 0.0 109.708 -179.338 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -33.95 -46.9 0.47 Allowed 'Trans proline' 0 C--N 1.352 0.747 0 C-N-CA 124.004 3.136 . . . . 0.0 114.136 -171.528 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 23.7 mmm-85 -97.45 -48.91 5.1 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.905 -173.415 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 2.4 m -81.09 -0.4 39.83 Favored 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 111.536 0.198 . . . . 0.0 111.536 -176.078 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -37.05 -61.81 0.91 Allowed Glycine 0 C--N 1.339 0.717 0 O-C-N 123.549 0.531 . . . . 0.0 113.993 -174.091 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 22.9 Cg_exo -64.61 81.83 0.17 Allowed 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.503 2.135 . . . . 0.0 112.01 176.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 128.72 -25.76 4.66 Favored Glycine 0 C--N 1.33 0.203 0 CA-C-N 116.038 -0.528 . . . . 0.0 112.585 176.067 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 31.9 t -133.5 98.5 2.71 Favored 'Isoleucine or valine' 0 C--O 1.239 0.508 0 CA-C-O 120.959 0.409 . . . . 0.0 110.141 178.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 50.2 p90 -68.9 173.78 5.04 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.432 177.029 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.79 ' HG ' ' HB3' ' A' ' 37' ' ' TYR . 20.5 tp -94.84 101.42 13.23 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 178.245 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -54.81 111.42 0.82 Allowed 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.398 -174.704 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 51.4 tt0 -84.45 124.68 31.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.051 -177.393 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 74.6 m-70 -128.17 155.77 43.96 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 108.691 -0.855 . . . . 0.0 108.691 172.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.83 -27.57 66.74 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 120.885 0.374 . . . . 0.0 111.193 -177.269 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -80.43 -39.42 28.27 Favored 'General case' 0 C--O 1.238 0.499 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.752 178.386 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 34.7 ptt180 -175.92 171.63 2.59 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.119 -170.628 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.79 ' HB3' ' HG ' ' A' ' 30' ' ' LEU . 52.9 m-85 -98.23 149.51 22.49 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.261 -1.015 . . . . 0.0 108.261 169.577 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 7.9 t -151.94 163.04 40.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.839 0.352 . . . . 0.0 110.558 177.479 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 23.4 t -130.05 118.81 22.12 Favored 'General case' 0 CA--C 1.511 -0.546 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.499 -175.638 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.562 ' O ' ' HB2' ' A' ' 41' ' ' ARG . . . -60.44 157.12 29.52 Favored Glycine 0 N--CA 1.444 -0.832 0 C-N-CA 120.282 -0.961 . . . . 0.0 110.919 169.026 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.562 ' HB2' ' O ' ' A' ' 40' ' ' GLY . 9.8 mpt_? 84.27 -51.83 0.12 Allowed 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 123.862 0.865 . . . . 0.0 111.966 177.149 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 1.8 p -116.98 -7.08 11.4 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-N 119.311 0.96 . . . . 0.0 112.02 -178.177 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 69.78 19.9 75.46 Favored Glycine 0 C--N 1.332 0.334 0 C-N-CA 120.923 -0.656 . . . . 0.0 113.419 174.596 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 84.6 t80 -62.59 117.31 6.06 Favored 'General case' 0 C--O 1.232 0.174 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 175.607 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 70.8 m -121.14 144.85 48.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 123.407 0.442 . . . . 0.0 110.852 -177.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -145.39 114.13 6.83 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 179.328 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -66.96 149.5 50.54 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 112.616 0.598 . . . . 0.0 112.616 -171.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 31.6 mmtt . . . . . 0 N--CA 1.466 0.344 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.037 179.595 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 77.3 m-85 . . . . . 0 C--O 1.231 0.131 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.431 ' HB2' HD13 ' A' ' 30' ' ' LEU . 34.3 t -82.29 119.94 75.96 Favored Pre-proline 0 C--N 1.328 -0.328 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 -179.665 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_exo -41.95 -58.11 1.29 Allowed 'Trans proline' 0 C--N 1.349 0.575 0 C-N-CA 123.008 2.472 . . . . 0.0 113.469 -169.694 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 60.5 mtm180 -82.58 -35.59 26.99 Favored 'General case' 0 CA--C 1.533 0.327 0 N-CA-C 112.53 0.567 . . . . 0.0 112.53 -173.381 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 9.3 m -86.39 -5.12 59.24 Favored 'General case' 0 N--CA 1.473 0.722 0 O-C-N 122.224 -0.297 . . . . 0.0 111.009 -179.241 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 21' ' ' CYS . . . -43.98 -63.83 2.15 Favored Glycine 0 C--N 1.335 0.51 0 O-C-N 123.569 0.543 . . . . 0.0 114.122 -170.434 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_endo -61.68 81.81 0.09 OUTLIER 'Trans proline' 0 CA--C 1.531 0.375 0 C-N-CA 122.435 2.09 . . . . 0.0 112.148 179.487 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 126.94 -25.11 5.32 Favored Glycine 0 CA--C 1.518 0.249 0 CA-C-N 115.93 -0.577 . . . . 0.0 112.61 177.385 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 22.0 t -126.68 100.13 6.26 Favored 'Isoleucine or valine' 0 C--O 1.237 0.416 0 CA-C-O 120.871 0.367 . . . . 0.0 110.687 -179.07 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 49.0 p90 -64.82 159.17 23.12 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.881 175.054 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.552 ' HG ' ' HB3' ' A' ' 37' ' ' TYR . 23.2 tp -91.75 117.89 30.18 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 179.502 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.38 101.82 0.12 Allowed 'General case' 0 C--O 1.235 0.291 0 CA-C-O 120.982 0.42 . . . . 0.0 110.988 -176.297 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -85.1 115.97 23.2 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.188 -177.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 18.2 m-70 -113.05 155.5 24.76 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 108.467 -0.938 . . . . 0.0 108.467 172.402 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.56 -28.65 63.74 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-O 120.819 0.342 . . . . 0.0 111.414 -177.297 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -89.03 -33.15 17.26 Favored 'General case' 0 C--O 1.237 0.436 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.347 -178.016 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.453 ' HB2' ' O ' ' A' ' 46' ' ' GLU . 5.9 ptp180 -172.17 168.24 5.77 Favored 'General case' 0 N--CA 1.462 0.136 0 CA-C-O 121.073 0.463 . . . . 0.0 111.706 -168.473 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.552 ' HB3' ' HG ' ' A' ' 30' ' ' LEU . 95.4 m-85 -97.96 153.13 18.57 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.238 170.853 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 10.3 t -146.39 159.24 43.64 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.724 -0.472 . . . . 0.0 109.724 175.754 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.598 ' SG ' ' HB3' ' A' ' 41' ' ' ARG . 38.8 t -133.92 91.32 2.81 Favored 'General case' 0 C--O 1.236 0.377 0 N-CA-C 111.989 0.366 . . . . 0.0 111.989 -178.615 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -67.59 74.83 0.22 Allowed Glycine 0 C--N 1.332 0.342 0 N-CA-C 110.886 -0.886 . . . . 0.0 110.886 171.129 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.598 ' HB3' ' SG ' ' A' ' 39' ' ' CYS . 32.6 tpt180 -173.34 -37.19 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 -175.654 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 16.3 p -146.48 11.7 1.15 Allowed 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.565 174.536 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 75.6 3.5 72.57 Favored Glycine 0 C--N 1.337 0.629 0 CA-C-N 116.413 -0.358 . . . . 0.0 113.84 173.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 60.9 t80 -61.57 109.14 1.1 Allowed 'General case' 0 C--O 1.234 0.257 0 CA-C-N 117.254 0.527 . . . . 0.0 110.186 -178.171 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 32.9 m -126.89 119.17 26.12 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.19 -178.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.453 ' O ' ' HB2' ' A' ' 36' ' ' ARG . 26.5 tt0 -122.15 140.34 52.68 Favored 'General case' 0 C--O 1.224 -0.283 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 -178.743 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 69.1 m-85 -77.26 141.88 39.76 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 110.46 -0.2 . . . . 0.0 110.46 177.793 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 43.6 mmtt . . . . . 0 N--CA 1.466 0.329 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.602 178.435 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.465 ' HB3' ' HA2' ' A' ' 25' ' ' GLY . 46.9 m-85 . . . . . 0 C--O 1.235 0.336 0 CA-C-O 121.122 0.487 . . . . 0.0 110.644 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 45.3 t -67.52 128.37 93.57 Favored Pre-proline 0 C--N 1.324 -0.5 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.204 -178.765 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 65.4 Cg_exo -38.63 -49.68 2.51 Favored 'Trans proline' 0 C--N 1.352 0.74 0 C-N-CA 123.252 2.635 . . . . 0.0 113.696 -173.109 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 72.8 mtp180 -92.71 -52.0 4.83 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.711 -174.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.427 ' CB ' ' HB ' ' A' ' 28' ' ' VAL . 3.5 m -75.76 -0.79 22.18 Favored 'General case' 0 N--CA 1.474 0.732 0 N-CA-C 111.638 0.236 . . . . 0.0 111.638 -176.731 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.465 ' HA2' ' HB3' ' A' ' 20' ' ' PHE . . . -38.41 -64.73 0.81 Allowed Glycine 0 C--N 1.339 0.732 0 O-C-N 123.536 0.523 . . . . 0.0 114.306 -172.563 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 22.5 Cg_exo -64.23 85.14 0.15 Allowed 'Trans proline' 0 CA--C 1.534 0.493 0 C-N-CA 122.256 1.971 . . . . 0.0 111.977 178.13 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 124.48 -25.06 6.04 Favored Glycine 0 CA--C 1.517 0.165 0 C-N-CA 121.199 -0.524 . . . . 0.0 113.296 174.404 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.427 ' HB ' ' CB ' ' A' ' 24' ' ' CYS . 27.4 t -126.94 112.11 27.93 Favored 'Isoleucine or valine' 0 C--O 1.237 0.416 0 CA-C-N 117.088 0.444 . . . . 0.0 110.168 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 35.8 p90 -67.23 174.01 3.5 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.438 -179.019 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.445 ' HG ' ' HB3' ' A' ' 37' ' ' TYR . 32.7 tp -113.3 111.57 22.25 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 173.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.84 95.83 0.12 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.296 -175.113 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -80.35 117.29 20.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.619 178.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 93.3 m-70 -120.06 156.84 30.14 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 173.055 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.3 -25.02 63.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.108 0.48 . . . . 0.0 110.477 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -76.75 -45.22 29.98 Favored 'General case' 0 C--O 1.237 0.437 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.607 176.326 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.435 ' HB2' ' O ' ' A' ' 46' ' ' GLU . 16.8 ptt180 179.38 172.96 0.87 Allowed 'General case' 0 CA--C 1.529 0.165 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.229 -170.658 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.445 ' HB3' ' HG ' ' A' ' 30' ' ' LEU . 13.9 m-85 -98.31 140.62 32.32 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 108.971 -0.752 . . . . 0.0 108.971 175.295 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 8.2 t -135.97 159.73 40.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.734 0.302 . . . . 0.0 110.475 179.699 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.472 ' SG ' ' O ' ' A' ' 40' ' ' GLY . 41.9 t -143.54 121.04 11.72 Favored 'General case' 0 CA--C 1.512 -0.516 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.798 -179.596 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.472 ' O ' ' SG ' ' A' ' 39' ' ' CYS . . . -65.95 179.3 11.03 Favored Glycine 0 N--CA 1.446 -0.652 0 N-CA-C 110.076 -1.21 . . . . 0.0 110.076 163.728 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.472 ' HB2' ' O ' ' A' ' 40' ' ' GLY . 9.2 mpt_? 74.28 -46.76 0.62 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 117.182 0.491 . . . . 0.0 111.79 178.398 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.431 ' SG ' ' HB2' ' A' ' 44' ' ' TYR . 8.4 p -129.34 -5.87 4.81 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 119.759 -0.776 . . . . 0.0 112.653 179.785 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 70.76 20.12 77.24 Favored Glycine 0 C--N 1.333 0.39 0 C-N-CA 120.443 -0.884 . . . . 0.0 112.783 174.581 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.431 ' HB2' ' SG ' ' A' ' 42' ' ' CYS . 77.0 t80 -66.99 118.8 10.95 Favored 'General case' 0 C--O 1.234 0.254 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 177.435 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 35.1 m -133.52 118.79 18.73 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.517 -179.429 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.435 ' O ' ' HB2' ' A' ' 36' ' ' ARG . 9.7 tp10 -119.59 140.66 50.22 Favored 'General case' 0 C--O 1.224 -0.285 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 178.181 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -81.84 152.72 26.76 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.767 0.318 . . . . 0.0 111.511 -175.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 47.0 mmtt . . . . . 0 C--O 1.235 0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.174 175.316 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 93.8 m-85 . . . . . 0 N--CA 1.451 -0.415 0 N-CA-C 107.855 -1.165 . . . . 0.0 107.855 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 42.1 t -61.13 127.98 88.75 Favored Pre-proline 0 C--N 1.324 -0.532 0 C-N-CA 121.195 -0.202 . . . . 0.0 110.658 -174.426 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -37.9 -47.66 2.11 Favored 'Trans proline' 0 C--N 1.354 0.821 0 C-N-CA 123.569 2.846 . . . . 0.0 113.521 -173.672 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 20.9 mmt180 -97.34 -51.43 4.17 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.562 -175.652 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.48 ' HB3' ' HB ' ' A' ' 28' ' ' VAL . 5.3 m -73.15 -1.68 18.53 Favored 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 111.848 0.314 . . . . 0.0 111.848 -176.595 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -33.78 -66.4 0.27 Allowed Glycine 0 C--N 1.34 0.783 0 O-C-N 123.763 0.665 . . . . 0.0 114.678 -171.252 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_exo -56.57 93.14 0.05 OUTLIER 'Trans proline' 0 C--O 1.235 0.372 0 C-N-CA 122.452 2.101 . . . . 0.0 112.214 179.603 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 106.51 -24.35 26.04 Favored Glycine 0 CA--C 1.519 0.316 0 CA-C-N 116.055 -0.52 . . . . 0.0 113.003 178.331 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.48 ' HB ' ' HB3' ' A' ' 24' ' ' CYS . 54.9 t -130.71 102.46 6.65 Favored 'Isoleucine or valine' 0 C--O 1.237 0.447 0 CA-C-O 121.136 0.493 . . . . 0.0 110.821 -178.818 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 41.9 p90 -71.03 -165.79 0.13 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.844 177.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 42.7 tp -118.77 109.75 16.43 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 175.713 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.2 102.98 0.19 Allowed 'General case' 0 C--O 1.236 0.344 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.882 -175.751 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -88.04 111.36 21.44 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.49 179.613 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 80.8 m-70 -106.39 153.13 22.69 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 173.697 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.38 -24.44 44.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.185 0.516 . . . . 0.0 110.655 179.672 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -82.31 -41.42 20.11 Favored 'General case' 0 C--O 1.237 0.441 0 CA-C-N 115.472 -0.785 . . . . 0.0 111.097 179.652 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 26.3 ptt-85 -179.59 177.94 0.69 Allowed 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.252 -174.075 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 57.4 m-85 -96.79 150.87 20.22 Favored 'General case' 0 C--O 1.235 0.31 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 176.363 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 47.1 t -148.75 151.28 34.56 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 110.088 -0.338 . . . . 0.0 110.088 -179.222 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.481 ' SG ' ' HB3' ' A' ' 41' ' ' ARG . 26.1 t -141.32 94.61 2.71 Favored 'General case' 0 C--O 1.237 0.428 0 N-CA-C 111.997 0.369 . . . . 0.0 111.997 177.633 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -68.49 74.42 0.3 Allowed Glycine 0 N--CA 1.45 -0.4 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 172.003 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.481 ' HB3' ' SG ' ' A' ' 39' ' ' CYS . 24.7 tpt180 -173.34 -30.1 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 -176.063 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 22.1 p -150.12 3.82 0.53 Allowed 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.461 174.48 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 77.6 17.39 79.02 Favored Glycine 0 C--N 1.339 0.715 0 C-N-CA 121.23 -0.509 . . . . 0.0 113.533 175.057 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 44.8 t80 -63.62 118.94 8.94 Favored 'General case' 0 C--O 1.236 0.388 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 178.007 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 16.8 m -132.85 131.24 40.76 Favored 'General case' 0 C--N 1.328 -0.359 0 O-C-N 123.685 0.616 . . . . 0.0 109.725 -179.24 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -142.58 122.03 13.21 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 110.035 -0.357 . . . . 0.0 110.035 -178.483 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 71.9 m-85 -69.2 145.85 52.87 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.73 0.3 . . . . 0.0 111.413 -177.194 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 54.5 mmtt . . . . . 0 C--O 1.235 0.327 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.152 176.134 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.466 ' HB3' ' HA2' ' A' ' 25' ' ' GLY . 49.0 m-85 . . . . . 0 N--CA 1.456 -0.155 0 N-CA-C 110.07 -0.345 . . . . 0.0 110.07 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.472 ' O ' ' N ' ' A' ' 25' ' ' GLY . 51.7 t -62.55 114.52 12.29 Favored Pre-proline 0 C--O 1.224 -0.276 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 -179.447 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_exo -37.72 -54.92 1.18 Allowed 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 123.319 2.679 . . . . 0.0 113.825 -164.738 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 61.4 mtm180 -82.8 -33.37 27.29 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 112.523 0.564 . . . . 0.0 112.523 -173.352 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.462 ' HB3' ' HB ' ' A' ' 28' ' ' VAL . 9.8 m -90.03 -6.82 55.16 Favored 'General case' 0 N--CA 1.473 0.718 0 O-C-N 122.064 -0.397 . . . . 0.0 111.004 178.838 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 21' ' ' CYS . . . -42.0 -65.32 1.27 Allowed Glycine 0 C--N 1.335 0.474 0 O-C-N 123.787 0.679 . . . . 0.0 114.604 -166.327 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_endo -64.74 79.7 0.18 Allowed 'Trans proline' 0 C--O 1.235 0.368 0 C-N-CA 122.338 2.026 . . . . 0.0 112.052 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 131.23 -19.41 4.87 Favored Glycine 0 C--N 1.33 0.223 0 C-N-CA 121.109 -0.567 . . . . 0.0 113.156 178.474 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.462 ' HB ' ' HB3' ' A' ' 24' ' ' CYS . 40.5 t -133.45 105.44 7.79 Favored 'Isoleucine or valine' 0 C--O 1.237 0.425 0 CA-C-N 117.136 0.468 . . . . 0.0 110.446 178.663 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.418 ' HA ' ' CD1' ' A' ' 20' ' ' PHE . 18.8 p90 -62.75 160.63 13.95 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.372 178.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 47.4 tp -104.56 102.82 12.43 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.517 -0.92 . . . . 0.0 108.517 174.064 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.419 ' HB3' ' OG ' ' A' ' 38' ' ' SER . . . -60.9 98.31 0.07 Allowed 'General case' 0 C--O 1.237 0.41 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.027 -175.608 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -77.96 116.48 18.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.726 179.1 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 74.1 m-70 -110.51 154.32 23.84 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 108.427 -0.953 . . . . 0.0 108.427 172.435 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.441 ' O ' ' HG3' ' A' ' 48' ' ' LYS . . . -58.14 -26.27 62.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.081 0.467 . . . . 0.0 110.897 -177.854 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -84.88 -39.23 18.49 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.974 179.738 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.453 ' HB3' ' HA ' ' A' ' 47' ' ' PHE . 36.5 ptt180 -174.03 168.96 4.1 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 121.062 0.458 . . . . 0.0 111.407 -173.16 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 -97.74 144.43 27.37 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 108.739 -0.837 . . . . 0.0 108.739 177.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.419 ' OG ' ' HB3' ' A' ' 31' ' ' ALA . 61.1 p -135.94 147.55 48.14 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.913 0.387 . . . . 0.0 111.279 -175.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 18.4 t -133.81 86.13 2.26 Favored 'General case' 0 C--O 1.239 0.517 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.684 175.604 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -65.02 77.2 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.386 0 N-CA-C 111.462 -0.655 . . . . 0.0 111.462 174.59 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 3.8 tpt180 -168.98 -60.83 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 -177.477 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 20.5 p -108.02 -12.05 15.21 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.105 174.638 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 85.76 26.27 35.6 Favored Glycine 0 C--N 1.334 0.438 0 C-N-CA 120.93 -0.652 . . . . 0.0 112.387 179.484 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 78.6 t80 -76.5 112.04 12.61 Favored 'General case' 0 C--O 1.236 0.385 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 175.736 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 30.0 m -130.29 125.54 35.01 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.871 -178.344 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -128.42 119.18 24.46 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.327 -175.132 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.453 ' HA ' ' HB3' ' A' ' 36' ' ' ARG . 75.9 m-85 -64.73 146.98 54.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.811 0.339 . . . . 0.0 110.82 178.287 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.441 ' HG3' ' O ' ' A' ' 34' ' ' ALA . 48.5 mmtt . . . . . 0 C--O 1.234 0.251 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.395 -179.575 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 85.4 m-85 . . . . . 0 C--O 1.232 0.151 0 CA-C-O 121.092 0.473 . . . . 0.0 111.093 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.432 ' O ' ' N ' ' A' ' 25' ' ' GLY . 43.8 t -77.85 121.36 84.04 Favored Pre-proline 0 C--O 1.222 -0.384 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 175.146 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_exo -40.51 -50.67 3.7 Favored 'Trans proline' 0 C--N 1.347 0.488 0 C-N-CA 122.916 2.411 . . . . 0.0 113.434 -171.426 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 26.3 mmt180 -79.86 -55.54 4.91 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.169 -175.207 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.447 ' CB ' ' HB ' ' A' ' 28' ' ' VAL . 4.1 m -77.66 -1.67 32.18 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.7 -176.072 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 21' ' ' CYS . . . -41.4 -58.69 2.85 Favored Glycine 0 C--N 1.334 0.472 0 O-C-N 123.583 0.552 . . . . 0.0 114.167 -170.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_endo -66.84 80.14 0.36 Allowed 'Trans proline' 0 CA--C 1.532 0.414 0 C-N-CA 122.24 1.96 . . . . 0.0 111.495 176.534 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 131.1 -24.99 4.17 Favored Glycine 0 C--N 1.334 0.47 0 CA-C-N 115.877 -0.602 . . . . 0.0 112.822 177.332 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.447 ' HB ' ' CB ' ' A' ' 24' ' ' CYS . 93.3 t -135.29 121.75 33.27 Favored 'Isoleucine or valine' 0 C--O 1.236 0.358 0 CA-C-O 120.879 0.371 . . . . 0.0 110.665 -178.79 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 50.7 p90 -74.49 -166.92 0.48 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.945 178.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 32.4 tp -133.91 107.86 8.08 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 176.336 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.85 99.74 0.36 Allowed 'General case' 0 C--O 1.234 0.237 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.152 -174.124 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -85.04 91.81 8.19 Favored 'General case' 0 C--O 1.237 0.414 0 CA-C-O 121.263 0.554 . . . . 0.0 110.148 178.761 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 -82.99 159.82 22.14 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.573 -0.739 . . . . 0.0 109.227 176.283 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.63 -18.4 53.13 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-O 120.791 0.329 . . . . 0.0 111.184 -179.204 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -86.65 -41.06 14.52 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.805 177.389 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.558 ' HA ' ' HG2' ' A' ' 48' ' ' LYS . 13.9 ptt180 178.32 -175.32 0.18 Allowed 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.424 -174.21 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.547 ' HB2' ' HB3' ' A' ' 46' ' ' GLU . 66.6 m-85 -95.59 144.89 25.65 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 177.187 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 29.3 t -145.24 146.17 31.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.023 0.44 . . . . 0.0 110.547 178.142 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 34.6 t -130.02 92.18 3.26 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.154 179.118 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -66.24 72.38 0.14 Allowed Glycine 0 CA--C 1.519 0.296 0 O-C-N 123.706 0.629 . . . . 0.0 111.574 174.605 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 7.4 tpt180 -169.55 -41.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 -175.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.495 ' SG ' ' HB2' ' A' ' 44' ' ' TYR . 17.7 p -137.31 2.01 2.47 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.975 177.73 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 77.82 16.01 80.53 Favored Glycine 0 C--N 1.336 0.547 0 C-N-CA 121.006 -0.616 . . . . 0.0 112.711 177.387 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.495 ' HB2' ' SG ' ' A' ' 42' ' ' CYS . 51.1 t80 -65.58 105.27 1.17 Allowed 'General case' 0 C--O 1.236 0.347 0 N-CA-C 109.754 -0.461 . . . . 0.0 109.754 178.688 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 88.4 m -119.78 133.88 55.44 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.006 179.289 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.547 ' HB3' ' HB2' ' A' ' 37' ' ' TYR . 17.1 tp10 -133.3 112.55 11.75 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.924 -0.398 . . . . 0.0 109.924 -178.676 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 49.3 m-85 -54.57 148.66 11.95 Favored 'General case' 0 C--O 1.236 0.374 0 C-N-CA 122.54 0.336 . . . . 0.0 111.873 -177.29 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.558 ' HG2' ' HA ' ' A' ' 36' ' ' ARG . 33.9 mmtt . . . . . 0 C--O 1.236 0.363 0 CA-C-O 121.202 0.525 . . . . 0.0 110.703 174.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 108.982 -0.747 . . . . 0.0 108.982 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.465 ' O ' ' N ' ' A' ' 25' ' ' GLY . 45.0 t -72.82 125.5 91.13 Favored Pre-proline 0 C--N 1.322 -0.613 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 179.627 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 79.9 Cg_exo -35.53 -62.06 0.24 Allowed 'Trans proline' 0 C--N 1.349 0.592 0 C-N-CA 123.287 2.658 . . . . 0.0 113.75 -167.179 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 51.7 mtm180 -89.46 -27.85 20.08 Favored 'General case' 0 CA--C 1.536 0.421 0 N-CA-C 112.593 0.59 . . . . 0.0 112.593 -171.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.549 ' HB3' ' HB ' ' A' ' 28' ' ' VAL . 10.1 m -87.47 -8.72 56.11 Favored 'General case' 0 N--CA 1.473 0.719 0 O-C-N 122.097 -0.377 . . . . 0.0 110.543 178.412 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' A' ' 21' ' ' CYS . . . -41.12 -63.45 1.53 Allowed Glycine 0 C--N 1.336 0.555 0 O-C-N 123.958 0.786 . . . . 0.0 114.169 -167.766 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -58.62 90.15 0.06 OUTLIER 'Trans proline' 0 CA--C 1.531 0.337 0 C-N-CA 122.188 1.925 . . . . 0.0 111.486 177.005 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 114.21 -24.75 11.22 Favored Glycine 0 N--CA 1.452 -0.292 0 CA-C-N 115.829 -0.623 . . . . 0.0 112.873 177.33 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.549 ' HB ' ' HB3' ' A' ' 24' ' ' CYS . 21.2 t -133.39 103.27 5.42 Favored 'Isoleucine or valine' 0 C--O 1.236 0.387 0 CA-C-O 120.845 0.355 . . . . 0.0 110.257 -178.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 35.4 p90 -70.43 -176.21 1.18 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.267 -178.686 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.515 ' HG ' ' HB3' ' A' ' 37' ' ' TYR . 37.6 tp -113.4 105.32 13.24 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 108.928 -0.767 . . . . 0.0 108.928 175.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.78 104.08 0.26 Allowed 'General case' 0 C--O 1.234 0.257 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.408 -174.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.458 ' HG3' ' HE2' ' A' ' 48' ' ' LYS . 37.0 tt0 -79.24 133.24 36.67 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.396 179.645 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 92.9 m-70 -135.01 158.0 45.48 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 175.678 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -53.9 -36.9 63.2 Favored 'General case' 0 C--N 1.329 -0.299 0 O-C-N 123.27 0.356 . . . . 0.0 111.82 -175.744 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -82.07 -37.08 26.92 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.187 -178.587 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.659 ' HB2' ' O ' ' A' ' 46' ' ' GLU . 4.3 ptp180 -175.83 174.22 2.2 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.99 0.424 . . . . 0.0 111.588 -169.102 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.515 ' HB3' ' HG ' ' A' ' 30' ' ' LEU . 40.6 m-85 -98.13 151.49 20.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.089 175.478 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 19.5 t -141.74 155.95 45.61 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.851 0.358 . . . . 0.0 110.616 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.651 ' SG ' ' O ' ' A' ' 40' ' ' GLY . 40.6 t -147.0 123.88 11.3 Favored 'General case' 0 CA--C 1.516 -0.355 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.43 178.706 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.651 ' O ' ' SG ' ' A' ' 39' ' ' CYS . . . -68.59 -170.95 6.41 Favored Glycine 0 N--CA 1.447 -0.604 0 N-CA-C 109.006 -1.638 . . . . 0.0 109.006 161.666 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 7.0 tpt180 75.52 -52.29 0.64 Allowed 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 118.078 0.939 . . . . 0.0 110.682 175.387 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.555 ' SG ' ' HB2' ' A' ' 44' ' ' TYR . 14.6 p -126.5 -14.32 5.83 Favored 'General case' 0 N--CA 1.465 0.315 0 C-N-CA 120.522 -0.471 . . . . 0.0 111.996 178.093 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 84.16 14.15 72.51 Favored Glycine 0 C--N 1.335 0.475 0 C-N-CA 120.603 -0.808 . . . . 0.0 112.539 178.07 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.555 ' HB2' ' SG ' ' A' ' 42' ' ' CYS . 53.7 t80 -61.88 109.94 1.4 Allowed 'General case' 0 C--O 1.234 0.255 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 -179.338 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 29.6 m -122.65 106.96 11.43 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.647 177.571 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.659 ' O ' ' HB2' ' A' ' 36' ' ' ARG . 13.3 tp10 -107.35 163.9 12.65 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 -178.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 72.6 m-85 -100.99 152.19 20.87 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.102 0.477 . . . . 0.0 112.12 -173.662 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.458 ' HE2' ' HG3' ' A' ' 32' ' ' GLU . 14.2 mmtt . . . . . 0 C--O 1.236 0.357 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.928 -178.21 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 . . . . . 0 N--CA 1.454 -0.245 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.438 ' O ' ' N ' ' A' ' 25' ' ' GLY . 45.3 t -84.42 128.98 59.49 Favored Pre-proline 0 C--N 1.323 -0.565 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.038 -177.597 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_exo -35.8 -58.22 0.47 Allowed 'Trans proline' 0 C--N 1.351 0.685 0 C-N-CA 123.469 2.779 . . . . 0.0 113.759 -172.091 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 10.4 mmm180 -88.73 -35.9 16.45 Favored 'General case' 0 CA--C 1.533 0.315 0 N-CA-C 112.146 0.425 . . . . 0.0 112.146 -173.581 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.587 ' HB3' ' HB ' ' A' ' 28' ' ' VAL . 4.7 m -89.39 -2.51 58.44 Favored 'General case' 0 N--CA 1.473 0.725 0 N-CA-C 111.412 0.153 . . . . 0.0 111.412 -176.174 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 21' ' ' CYS . . . -40.17 -63.73 1.26 Allowed Glycine 0 C--N 1.336 0.545 0 O-C-N 123.688 0.618 . . . . 0.0 113.976 -170.297 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_exo -57.53 93.69 0.06 OUTLIER 'Trans proline' 0 CA--C 1.532 0.412 0 C-N-CA 122.297 1.998 . . . . 0.0 111.941 176.615 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 106.63 -24.46 25.57 Favored Glycine 0 CA--C 1.519 0.337 0 C-N-CA 121.352 -0.451 . . . . 0.0 113.601 174.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.587 ' HB ' ' HB3' ' A' ' 24' ' ' CYS . 21.3 t -127.49 103.94 11.44 Favored 'Isoleucine or valine' 0 C--O 1.238 0.487 0 CA-C-N 117.383 0.591 . . . . 0.0 110.313 -179.747 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 36.7 p90 -70.38 -178.76 1.81 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.639 -0.71 . . . . 0.0 111.218 -178.376 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.588 ' HG ' ' HB3' ' A' ' 37' ' ' TYR . 41.8 tp -112.95 110.21 20.13 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.348 -0.982 . . . . 0.0 108.348 174.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.489 ' O ' ' HA ' ' A' ' 37' ' ' TYR . . . -55.19 97.39 0.02 OUTLIER 'General case' 0 C--O 1.234 0.245 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.75 -173.757 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -80.59 110.33 15.97 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.258 179.034 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 -119.45 157.25 28.63 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.33 178.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -53.39 -29.54 35.25 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 115.889 -0.596 . . . . 0.0 112.126 -175.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -89.24 -38.92 13.88 Favored 'General case' 0 C--O 1.238 0.449 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.272 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 36.9 ptt180 -174.91 175.18 2.4 Favored 'General case' 0 C--O 1.231 0.092 0 CA-C-O 121.37 0.605 . . . . 0.0 111.8 -172.206 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.588 ' HB3' ' HG ' ' A' ' 30' ' ' LEU . 41.0 m-85 -98.31 154.66 17.66 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.034 -0.984 . . . . 0.0 109.461 173.806 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 20.5 p -153.15 159.71 42.76 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 110.395 -0.224 . . . . 0.0 110.395 177.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.418 ' SG ' ' O ' ' A' ' 40' ' ' GLY . 40.4 t -143.49 125.21 15.01 Favored 'General case' 0 CA--C 1.514 -0.44 0 N-CA-C 111.766 0.284 . . . . 0.0 111.766 -178.334 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.418 ' O ' ' SG ' ' A' ' 39' ' ' CYS . . . -70.3 -177.38 21.54 Favored Glycine 0 N--CA 1.445 -0.75 0 N-CA-C 109.961 -1.256 . . . . 0.0 109.961 163.032 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 27.4 ttt-85 74.69 -50.71 0.67 Allowed 'General case' 0 C--N 1.321 -0.648 0 C-N-CA 123.288 0.635 . . . . 0.0 111.087 177.016 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.45 ' SG ' ' HB2' ' A' ' 44' ' ' TYR . 10.5 p -125.18 -10.81 7.03 Favored 'General case' 0 C--N 1.344 0.34 0 C-N-CA 119.894 -0.723 . . . . 0.0 112.263 -179.296 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 77.43 18.42 77.93 Favored Glycine 0 C--N 1.336 0.578 0 C-N-CA 120.649 -0.786 . . . . 0.0 113.208 176.579 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.45 ' HB2' ' SG ' ' A' ' 42' ' ' CYS . 62.4 t80 -66.28 121.69 15.8 Favored 'General case' 0 C--O 1.235 0.334 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 178.849 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 87.2 m -134.18 131.88 39.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.55 -178.46 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -139.96 143.05 36.34 Favored 'General case' 0 C--O 1.222 -0.379 0 N-CA-C 108.693 -0.854 . . . . 0.0 108.693 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 71.1 m-85 -76.24 156.37 33.6 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.637 0.256 . . . . 0.0 111.326 -176.736 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 5.9 mmtt . . . . . 0 C--O 1.233 0.228 0 N-CA-C 109.887 -0.412 . . . . 0.0 109.887 177.612 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.518 ' HA ' ' HA ' ' A' ' 29' ' ' PHE . 42.1 m-85 . . . . . 0 N--CA 1.456 -0.168 0 N-CA-C 109.619 -0.511 . . . . 0.0 109.619 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 46.8 t -51.4 129.7 33.4 Favored Pre-proline 0 C--N 1.331 -0.234 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.843 -175.329 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -36.06 -54.07 0.88 Allowed 'Trans proline' 0 C--N 1.352 0.724 0 C-N-CA 123.663 2.909 . . . . 0.0 113.568 -174.147 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 14.1 mtm180 -97.83 -40.65 8.42 Favored 'General case' 0 CA--C 1.534 0.353 0 N-CA-C 112.116 0.413 . . . . 0.0 112.116 -175.225 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.605 ' HB3' ' HB ' ' A' ' 28' ' ' VAL . 19.4 m -75.94 -2.0 28.28 Favored 'General case' 0 N--CA 1.478 0.934 0 O-C-N 122.303 -0.248 . . . . 0.0 111.327 -179.555 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -37.78 -56.14 1.71 Allowed Glycine 0 C--N 1.336 0.583 0 O-C-N 123.815 0.697 . . . . 0.0 113.507 -173.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_exo -61.69 83.68 0.09 OUTLIER 'Trans proline' 0 C--O 1.236 0.41 0 C-N-CA 122.28 1.987 . . . . 0.0 111.767 174.018 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 118.32 -24.32 8.72 Favored Glycine 0 CA--C 1.521 0.46 0 CA-C-N 116.195 -0.457 . . . . 0.0 113.484 175.08 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.605 ' HB ' ' HB3' ' A' ' 24' ' ' CYS . 46.7 t -134.99 122.42 37.24 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.423 0 CA-C-N 117.409 0.605 . . . . 0.0 111.373 -178.228 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.518 ' HA ' ' HA ' ' A' ' 20' ' ' PHE . 38.5 p90 -78.91 -164.6 0.62 Allowed 'General case' 0 CA--C 1.535 0.401 0 CA-C-N 115.383 -0.826 . . . . 0.0 111.376 179.834 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 38.5 tp -129.17 109.22 10.98 Favored 'General case' 0 C--O 1.234 0.24 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 173.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -73.14 111.56 8.37 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.419 -174.484 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -77.92 131.79 37.62 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-O 120.982 0.42 . . . . 0.0 109.913 174.488 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 76.5 m-70 -125.23 158.57 33.73 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 173.461 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -53.39 -32.66 50.51 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 111.977 0.362 . . . . 0.0 111.977 -175.263 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -95.13 -26.18 16.12 Favored 'General case' 0 C--O 1.236 0.389 0 N-CA-C 112.121 0.415 . . . . 0.0 112.121 -175.546 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.556 ' NH1' HG21 ' A' ' 45' ' ' THR . 25.7 ptt180 -175.51 166.62 3.27 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 121.155 0.502 . . . . 0.0 111.85 -172.08 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -97.49 146.26 25.41 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 108.075 -1.083 . . . . 0.0 108.075 172.813 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 21.8 t -145.99 162.07 38.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.225 0.536 . . . . 0.0 111.514 -179.006 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.471 ' SG ' ' HB2' ' A' ' 41' ' ' ARG . 27.6 t -137.84 106.67 5.93 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 115.42 -0.809 . . . . 0.0 111.045 -178.767 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -75.07 62.71 2.52 Favored Glycine 0 CA--C 1.52 0.365 0 O-C-N 123.42 0.45 . . . . 0.0 112.156 176.406 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.511 ' HG3' HG21 ' A' ' 28' ' ' VAL . 20.7 mmt180 -159.01 -72.47 0.08 Allowed 'General case' 0 N--CA 1.464 0.235 0 C-N-CA 123.376 0.671 . . . . 0.0 110.023 -178.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.493 ' SG ' ' HB2' ' A' ' 44' ' ' TYR . 31.1 p -96.1 1.15 52.26 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 120.843 0.354 . . . . 0.0 110.793 179.669 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 70.37 28.04 71.86 Favored Glycine 0 C--N 1.334 0.438 0 C-N-CA 120.957 -0.639 . . . . 0.0 111.734 179.215 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.493 ' HB2' ' SG ' ' A' ' 42' ' ' CYS . 61.5 t80 -77.82 108.51 11.1 Favored 'General case' 0 N--CA 1.453 -0.296 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 176.587 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.556 HG21 ' NH1' ' A' ' 36' ' ' ARG . 52.0 m -130.32 124.41 32.24 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.791 -0.641 . . . . 0.0 109.45 179.075 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -129.74 130.79 45.87 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.102 -0.499 . . . . 0.0 109.811 -175.739 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 59.2 m-85 -57.96 147.04 30.34 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 120.73 0.3 . . . . 0.0 110.829 -178.714 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 5.4 tmtt? . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 115.872 -0.603 . . . . 0.0 111.016 -174.316 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 . . . . . 0 C--O 1.233 0.205 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 43.7 t -91.97 123.48 62.87 Favored Pre-proline 0 C--N 1.326 -0.444 0 C-N-CA 120.515 -0.474 . . . . 0.0 110.214 177.81 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 74.8 Cg_exo -43.54 -49.04 8.08 Favored 'Trans proline' 0 C--N 1.349 0.591 0 C-N-CA 123.186 2.591 . . . . 0.0 113.481 -173.173 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 23.1 mtp180 -86.72 -57.21 3.07 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.317 -174.747 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 3.3 m -73.02 -3.98 29.52 Favored 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 111.862 0.319 . . . . 0.0 111.862 -175.666 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -38.33 -65.18 0.74 Allowed Glycine 0 C--N 1.341 0.848 0 O-C-N 123.517 0.511 . . . . 0.0 114.32 -172.039 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -64.48 81.02 0.17 Allowed 'Trans proline' 0 CA--C 1.533 0.459 0 C-N-CA 122.362 2.041 . . . . 0.0 111.732 178.558 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 131.32 -24.48 4.18 Favored Glycine 0 CA--C 1.519 0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 112.639 178.179 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 19.3 t -133.32 107.44 11.13 Favored 'Isoleucine or valine' 0 C--O 1.239 0.543 0 CA-C-N 116.828 0.314 . . . . 0.0 110.64 -178.567 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 50.8 p90 -62.83 172.6 1.62 Allowed 'General case' 0 C--O 1.237 0.442 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.556 174.46 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 35.8 tp -102.92 117.14 33.95 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 176.235 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.13 89.47 0.08 Allowed 'General case' 0 C--O 1.235 0.342 0 CA-C-O 121.198 0.523 . . . . 0.0 110.548 -177.666 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -75.74 134.37 40.49 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.784 -179.711 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 80.3 m-70 -133.15 152.58 51.94 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 173.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -55.69 -25.37 39.52 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 111.719 0.266 . . . . 0.0 111.719 -177.117 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -92.67 -32.85 14.6 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.656 -178.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 12.4 ptp180 -173.04 170.54 4.4 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 121.161 0.505 . . . . 0.0 111.343 -175.482 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 67.8 m-85 -98.49 149.03 23.14 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.451 -0.795 . . . . 0.0 109.079 174.06 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 33.4 t -142.36 162.26 35.93 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.93 -0.396 . . . . 0.0 109.93 178.735 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.414 ' SG ' ' O ' ' A' ' 40' ' ' GLY . 42.4 t -147.03 125.81 12.65 Favored 'General case' 0 CA--C 1.513 -0.453 0 N-CA-C 111.779 0.289 . . . . 0.0 111.779 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.448 ' O ' ' HB2' ' A' ' 41' ' ' ARG . . . -67.65 178.73 18.56 Favored Glycine 0 N--CA 1.447 -0.579 0 N-CA-C 110.031 -1.228 . . . . 0.0 110.031 163.456 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.448 ' HB2' ' O ' ' A' ' 40' ' ' GLY . 22.6 mmt180 76.14 -53.55 0.61 Allowed 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 123.008 0.523 . . . . 0.0 111.224 177.245 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.447 ' SG ' ' HB2' ' A' ' 44' ' ' TYR . 13.6 p -122.68 -9.1 8.43 Favored 'General case' 0 N--CA 1.464 0.236 0 C-N-CA 119.93 -0.708 . . . . 0.0 112.04 -177.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 72.05 21.12 79.23 Favored Glycine 0 C--N 1.335 0.478 0 C-N-CA 120.625 -0.798 . . . . 0.0 112.91 177.359 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.447 ' HB2' ' SG ' ' A' ' 42' ' ' CYS . 85.3 t80 -63.42 124.83 22.31 Favored 'General case' 0 C--O 1.234 0.286 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 178.086 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 86.9 m -127.74 135.22 49.84 Favored 'General case' 0 C--N 1.327 -0.387 0 O-C-N 123.675 0.609 . . . . 0.0 109.845 178.04 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -139.22 114.61 9.75 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 79.3 m-85 -58.8 145.98 38.73 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.726 0.298 . . . . 0.0 111.044 -179.232 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 31.3 mmtt . . . . . 0 C--O 1.235 0.314 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.699 178.994 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.589 ' HB3' ' HA2' ' A' ' 25' ' ' GLY . 95.0 m-85 . . . . . 0 N--CA 1.454 -0.242 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.42 ' O ' ' N ' ' A' ' 25' ' ' GLY . 50.6 t -61.89 128.14 90.13 Favored Pre-proline 0 C--N 1.327 -0.373 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 178.321 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_exo -40.31 -52.98 2.78 Favored 'Trans proline' 0 C--N 1.349 0.602 0 C-N-CA 123.027 2.484 . . . . 0.0 113.343 -173.7 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 15.7 mmt180 -90.41 -37.68 13.8 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 116.022 -0.536 . . . . 0.0 112.243 -172.8 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.579 ' HB3' ' HB ' ' A' ' 28' ' ' VAL . 11.0 m -89.03 -0.73 57.67 Favored 'General case' 0 N--CA 1.477 0.898 0 O-C-N 122.357 -0.215 . . . . 0.0 111.377 -178.66 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.589 ' HA2' ' HB3' ' A' ' 20' ' ' PHE . . . -36.6 -62.3 0.8 Allowed Glycine 0 C--N 1.333 0.377 0 O-C-N 123.859 0.724 . . . . 0.0 114.612 -169.405 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 44.7 Cg_exo -57.29 84.72 0.04 OUTLIER 'Trans proline' 0 CA--C 1.535 0.556 0 C-N-CA 122.558 2.172 . . . . 0.0 112.432 178.368 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 113.88 -24.28 12.09 Favored Glycine 0 CA--C 1.521 0.42 0 CA-C-N 115.805 -0.634 . . . . 0.0 113.524 175.721 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.579 ' HB ' ' HB3' ' A' ' 24' ' ' CYS . 44.6 t -126.58 109.67 21.57 Favored 'Isoleucine or valine' 0 C--O 1.237 0.41 0 CA-C-O 121.184 0.516 . . . . 0.0 110.921 -177.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 37.0 p90 -76.43 -163.83 0.35 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.224 -0.898 . . . . 0.0 111.106 -179.64 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.425 ' HG ' ' HB3' ' A' ' 37' ' ' TYR . 30.1 tp -116.94 118.88 33.66 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 176.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -69.03 89.86 0.44 Allowed 'General case' 0 C--O 1.234 0.237 0 CA-C-O 121.046 0.451 . . . . 0.0 111.181 -175.665 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -75.21 126.86 31.89 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.85 178.699 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -130.62 156.85 44.18 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 174.15 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -54.35 -28.51 43.42 Favored 'General case' 0 C--O 1.235 0.314 0 O-C-N 123.296 0.372 . . . . 0.0 111.515 -177.522 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -83.94 -41.43 17.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.022 179.754 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 18.8 ptt180 -177.37 172.3 1.87 Allowed 'General case' 0 N--CA 1.463 0.194 0 CA-C-O 121.23 0.538 . . . . 0.0 111.539 -174.791 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.425 ' HB3' ' HG ' ' A' ' 30' ' ' LEU . 14.1 m-85 -98.67 137.96 36.54 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.246 -0.888 . . . . 0.0 109.046 176.554 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 47.1 t -134.38 161.34 35.27 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.877 0.37 . . . . 0.0 110.499 179.788 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 41.3 t -140.55 88.5 2.2 Favored 'General case' 0 C--O 1.238 0.471 0 CA-C-N 116.598 -0.274 . . . . 0.0 111.738 175.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -67.02 74.83 0.17 Allowed Glycine 0 C--N 1.332 0.354 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 172.2 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.564 ' HD2' ' SG ' ' A' ' 24' ' ' CYS . 0.5 OUTLIER -171.89 -30.68 0.01 OUTLIER 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 109.109 -0.7 . . . . 0.0 109.109 -174.584 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.428 ' SG ' ' HB2' ' A' ' 44' ' ' TYR . 26.0 p -147.45 -3.3 0.55 Allowed 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.718 174.797 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 79.89 22.99 62.65 Favored Glycine 0 C--N 1.338 0.646 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.558 179.71 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.428 ' HB2' ' SG ' ' A' ' 42' ' ' CYS . 59.2 t80 -79.4 123.23 27.31 Favored 'General case' 0 C--O 1.24 0.558 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 176.566 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 62.3 m -140.08 147.6 40.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 123.634 0.584 . . . . 0.0 110.626 -175.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -149.79 138.15 20.61 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 178.203 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 79.2 m-85 -77.07 147.48 36.65 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.66 0.267 . . . . 0.0 110.829 -177.366 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 25.0 mmtt . . . . . 0 C--O 1.233 0.204 0 CA-C-N 116.134 -0.485 . . . . 0.0 109.714 176.883 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 57.6 m-85 . . . . . 0 N--CA 1.455 -0.223 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 52.6 t -63.74 121.9 73.52 Favored Pre-proline 0 C--N 1.325 -0.5 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.316 -177.494 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -42.18 -39.52 6.06 Favored 'Trans proline' 0 C--N 1.351 0.683 0 C-N-CA 123.106 2.538 . . . . 0.0 113.564 -172.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 59.5 mmt-85 -93.78 -55.41 3.26 Favored 'General case' 0 CA--C 1.536 0.419 0 N-CA-C 111.951 0.352 . . . . 0.0 111.951 -177.58 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 4.2 m -75.86 -1.16 23.99 Favored 'General case' 0 N--CA 1.478 0.949 0 N-CA-C 111.665 0.246 . . . . 0.0 111.665 -176.636 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.401 ' O ' ' N ' ' A' ' 27' ' ' GLY . . . -33.52 -62.29 0.41 Allowed Glycine 0 N--CA 1.466 0.663 0 N-CA-C 115.454 0.942 . . . . 0.0 115.454 -169.21 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -53.01 84.09 0.02 OUTLIER 'Trans proline' 0 CA--C 1.535 0.568 0 C-N-CA 122.774 2.316 . . . . 0.0 113.138 -178.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.401 ' N ' ' O ' ' A' ' 25' ' ' GLY . . . 107.41 -24.96 23.04 Favored Glycine 0 CA--C 1.518 0.268 0 CA-C-N 116.031 -0.531 . . . . 0.0 112.735 176.84 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 39.4 t -118.81 98.54 6.53 Favored 'Isoleucine or valine' 0 C--O 1.238 0.5 0 CA-C-O 121.345 0.593 . . . . 0.0 110.117 -178.726 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 37.7 p90 -75.66 -170.07 1.2 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.098 -0.955 . . . . 0.0 111.226 -178.003 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.674 ' HG ' ' HB3' ' A' ' 37' ' ' TYR . 26.7 tp -113.28 101.07 9.06 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 108.549 -0.908 . . . . 0.0 108.549 176.128 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -55.03 107.48 0.31 Allowed 'General case' 0 C--O 1.232 0.172 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.748 -172.46 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -79.36 111.71 15.88 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.553 179.155 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 65.2 m-70 -111.77 153.35 26.66 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 108.851 -0.796 . . . . 0.0 108.851 173.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.51 -22.09 42.01 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.871 0.367 . . . . 0.0 111.389 -178.346 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -91.04 -37.03 13.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.351 178.559 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.578 ' HB2' ' O ' ' A' ' 46' ' ' GLU . 17.1 ptt-85 -176.95 172.01 2.07 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-O 121.072 0.463 . . . . 0.0 111.49 -175.249 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.674 ' HB3' ' HG ' ' A' ' 30' ' ' LEU . 14.7 m-85 -97.5 129.04 44.71 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.256 175.637 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 46.5 p -127.7 157.11 41.21 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.004 0.431 . . . . 0.0 111.022 -179.201 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.568 ' SG ' ' O ' ' A' ' 40' ' ' GLY . 42.9 t -131.07 132.3 44.79 Favored 'General case' 0 CA--C 1.512 -0.486 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.066 177.062 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.568 ' O ' ' SG ' ' A' ' 39' ' ' CYS . . . -73.17 177.96 41.75 Favored Glycine 0 N--CA 1.442 -0.947 0 N-CA-C 109.751 -1.34 . . . . 0.0 109.751 164.558 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 12.5 mmt180 75.65 -54.8 0.63 Allowed 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 117.143 0.472 . . . . 0.0 110.976 175.705 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.626 ' SG ' ' HB2' ' A' ' 44' ' ' TYR . 11.2 p -121.26 -4.23 9.46 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 120.218 -0.593 . . . . 0.0 112.002 -178.855 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 69.48 13.11 67.7 Favored Glycine 0 C--N 1.335 0.475 0 C-N-CA 120.771 -0.728 . . . . 0.0 113.215 175.285 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.626 ' HB2' ' SG ' ' A' ' 42' ' ' CYS . 62.5 t80 -61.53 127.99 34.12 Favored 'General case' 0 C--O 1.234 0.248 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 -178.138 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 94.2 m -134.45 127.42 31.45 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.223 0.535 . . . . 0.0 112.117 -174.345 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.578 ' O ' ' HB2' ' A' ' 36' ' ' ARG . 10.9 tp10 -112.33 157.76 20.6 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 107.704 -1.221 . . . . 0.0 107.704 170.796 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -104.65 151.02 24.19 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 118.333 0.515 . . . . 0.0 111.915 -176.388 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 41.0 mmtt . . . . . 0 C--O 1.234 0.27 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.242 176.567 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 . . . . . 0 C--O 1.233 0.205 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.434 ' O ' ' N ' ' A' ' 25' ' ' GLY . 39.4 t -81.21 111.36 23.77 Favored Pre-proline 0 C--N 1.326 -0.414 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 -178.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 67.1 Cg_exo -43.45 -39.5 9.42 Favored 'Trans proline' 0 C--N 1.35 0.648 0 C-N-CA 123.245 2.63 . . . . 0.0 113.418 -169.805 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 -85.45 -46.85 10.5 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.605 -175.57 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.451 ' CB ' ' HB ' ' A' ' 28' ' ' VAL . 4.5 m -89.97 -1.33 57.95 Favored 'General case' 0 N--CA 1.472 0.647 0 N-CA-C 111.786 0.291 . . . . 0.0 111.786 -176.489 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 21' ' ' CYS . . . -37.84 -73.46 0.14 Allowed Glycine 0 N--CA 1.464 0.564 0 O-C-N 123.692 0.62 . . . . 0.0 114.168 -168.189 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_exo -60.31 86.11 0.08 OUTLIER 'Trans proline' 0 CA--C 1.532 0.414 0 C-N-CA 122.3 2.0 . . . . 0.0 111.663 175.733 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 131.05 -25.51 4.11 Favored Glycine 0 N--CA 1.452 -0.273 0 CA-C-N 115.777 -0.647 . . . . 0.0 112.508 177.283 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.451 ' HB ' ' CB ' ' A' ' 24' ' ' CYS . 21.9 t -137.02 107.09 5.08 Favored 'Isoleucine or valine' 0 C--O 1.237 0.434 0 CA-C-O 120.839 0.352 . . . . 0.0 110.458 178.223 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 21.1 p90 -65.2 164.3 13.52 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.51 176.521 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 57.3 tp -102.73 107.9 18.95 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.486 -0.931 . . . . 0.0 108.486 172.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.14 94.86 0.02 OUTLIER 'General case' 0 C--O 1.234 0.278 0 O-C-N 123.272 0.358 . . . . 0.0 110.685 -176.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.445 ' HG3' ' CE2' ' A' ' 37' ' ' TYR . 48.4 tt0 -86.12 90.72 8.21 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.804 -179.049 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 66.9 m-70 -89.18 151.25 22.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.418 -0.81 . . . . 0.0 109.3 177.428 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.07 -22.07 48.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.919 0.39 . . . . 0.0 110.29 175.586 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -82.75 -42.53 17.88 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 115.883 -0.598 . . . . 0.0 111.244 177.304 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.489 ' HB2' ' O ' ' A' ' 46' ' ' GLU . 16.1 ptp180 -175.9 173.05 2.36 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-O 121.072 0.463 . . . . 0.0 111.48 -174.078 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.445 ' CE2' ' HG3' ' A' ' 32' ' ' GLU . 33.0 m-85 -97.5 140.47 31.89 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 108.68 -0.859 . . . . 0.0 108.68 174.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 31.2 t -144.11 148.46 35.13 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 121.202 0.525 . . . . 0.0 111.808 -177.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 45.5 t -139.59 87.18 2.16 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.024 175.38 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -71.57 69.21 0.94 Allowed Glycine 0 C--N 1.335 0.474 0 O-C-N 123.425 0.453 . . . . 0.0 112.617 -179.345 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 16.7 mmt180 -160.31 -48.22 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 123.555 0.742 . . . . 0.0 109.418 -179.552 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 17.8 p -116.33 -14.59 11.02 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.441 176.635 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 89.77 27.36 22.02 Favored Glycine 0 C--N 1.335 0.485 0 C-N-CA 121.182 -0.532 . . . . 0.0 113.061 176.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 52.7 t80 -78.87 108.78 12.58 Favored 'General case' 0 C--O 1.237 0.434 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 174.532 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 49.3 m -140.29 146.39 38.5 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.195 -177.033 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.489 ' O ' ' HB2' ' A' ' 36' ' ' ARG . 13.7 tp10 -162.06 144.07 11.18 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 109.738 -0.468 . . . . 0.0 109.738 -179.221 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 86.7 m-85 -65.82 155.73 35.39 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-O 120.938 0.399 . . . . 0.0 111.233 -179.191 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 12.8 mmtt . . . . . 0 C--O 1.234 0.266 0 CA-C-O 121.432 0.634 . . . . 0.0 110.032 174.777 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 . . . . . 0 C--O 1.235 0.326 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 47.9 t -88.34 123.59 68.06 Favored Pre-proline 0 C--N 1.325 -0.481 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 176.304 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_endo -53.72 -23.55 26.85 Favored 'Trans proline' 0 CA--C 1.535 0.56 0 C-N-CA 122.964 2.443 . . . . 0.0 113.692 -169.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.536 ' NE ' ' HA ' ' A' ' 23' ' ' ARG . 4.1 mmp_? -106.2 -47.83 3.73 Favored 'General case' 0 N--CA 1.468 0.44 0 O-C-N 122.165 -0.334 . . . . 0.0 111.735 177.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.493 ' HB3' ' HB ' ' A' ' 28' ' ' VAL . 7.7 m -81.34 -0.06 39.41 Favored 'General case' 0 N--CA 1.474 0.771 0 N-CA-C 111.814 0.302 . . . . 0.0 111.814 -177.497 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -33.85 -62.19 0.45 Allowed Glycine 0 C--N 1.339 0.733 0 O-C-N 123.653 0.596 . . . . 0.0 114.133 -172.684 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 28.4 Cg_endo -62.75 98.65 0.2 Allowed 'Trans proline' 0 CA--C 1.534 0.493 0 C-N-CA 122.353 2.035 . . . . 0.0 112.108 176.223 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 106.54 -24.91 24.58 Favored Glycine 0 CA--C 1.518 0.248 0 CA-C-N 115.999 -0.546 . . . . 0.0 113.298 175.45 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.493 ' HB ' ' HB3' ' A' ' 24' ' ' CYS . 18.0 t -132.32 106.15 10.41 Favored 'Isoleucine or valine' 0 C--O 1.237 0.43 0 CA-C-N 117.187 0.494 . . . . 0.0 110.527 -178.651 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 41.7 p90 -72.02 -174.2 1.19 Allowed 'General case' 0 C--O 1.236 0.35 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.101 176.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.412 ' HG ' ' HB3' ' A' ' 37' ' ' TYR . 27.8 tp -106.31 113.72 27.41 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 177.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.21 97.17 0.03 OUTLIER 'General case' 0 C--O 1.233 0.219 0 CA-C-O 121.113 0.482 . . . . 0.0 110.78 -177.353 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 59.1 tt0 -84.48 125.22 32.19 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.633 -176.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 76.1 m-70 -128.13 156.47 42.81 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 176.48 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.32 -26.31 62.91 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 120.685 0.279 . . . . 0.0 111.609 -177.194 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -89.08 -36.26 15.86 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.487 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 15.5 ptp180 -168.52 166.22 12.16 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.326 0.584 . . . . 0.0 112.056 -169.629 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.412 ' HB3' ' HG ' ' A' ' 30' ' ' LEU . 62.1 m-85 -98.42 140.55 32.5 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 114.959 -1.018 . . . . 0.0 108.258 168.682 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 9.5 t -142.68 162.32 35.78 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 120.828 0.347 . . . . 0.0 110.112 -177.746 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.538 ' SG ' ' O ' ' A' ' 40' ' ' GLY . 46.1 t -149.19 127.99 12.54 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.589 -178.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.538 ' O ' ' SG ' ' A' ' 39' ' ' CYS . . . -73.39 -170.19 18.87 Favored Glycine 0 N--CA 1.443 -0.87 0 N-CA-C 109.468 -1.453 . . . . 0.0 109.468 161.764 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 14.5 mmt85 73.5 -48.17 0.67 Allowed 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 117.315 0.557 . . . . 0.0 111.243 175.636 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.416 ' SG ' ' HB2' ' A' ' 44' ' ' TYR . 15.7 p -126.87 -15.88 5.29 Favored 'General case' 0 C--N 1.342 0.267 0 C-N-CA 120.404 -0.518 . . . . 0.0 111.743 177.451 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 79.07 25.41 59.79 Favored Glycine 0 C--N 1.331 0.291 0 C-N-CA 120.399 -0.905 . . . . 0.0 112.474 179.701 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.416 ' HB2' ' SG ' ' A' ' 42' ' ' CYS . 79.3 t80 -71.54 116.0 11.38 Favored 'General case' 0 C--O 1.233 0.227 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 175.741 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 74.5 m -133.47 126.08 30.37 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.458 178.517 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -137.03 126.81 25.56 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -59.87 156.88 13.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.872 0.367 . . . . 0.0 111.658 -175.615 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 29.1 mmtt . . . . . 0 C--O 1.232 0.164 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.496 176.365 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 90.3 m-85 . . . . . 0 C--O 1.232 0.14 0 N-CA-C 110.138 -0.319 . . . . 0.0 110.138 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.405 ' O ' ' N ' ' A' ' 25' ' ' GLY . 46.1 t -71.25 121.7 84.99 Favored Pre-proline 0 C--N 1.33 -0.277 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 -179.282 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -38.62 -45.87 2.46 Favored 'Trans proline' 0 C--N 1.35 0.647 0 C-N-CA 123.514 2.81 . . . . 0.0 113.991 -171.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 5.1 mmp_? -91.48 -47.52 7.38 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.507 -176.471 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.559 ' HB3' ' HB ' ' A' ' 28' ' ' VAL . 8.3 m -81.57 -1.25 45.68 Favored 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 111.597 0.221 . . . . 0.0 111.597 -175.527 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.405 ' N ' ' O ' ' A' ' 21' ' ' CYS . . . -40.82 -64.0 1.34 Allowed Glycine 0 C--N 1.338 0.648 0 O-C-N 123.495 0.497 . . . . 0.0 114.168 -171.357 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_endo -68.02 83.78 0.44 Allowed 'Trans proline' 0 N--CA 1.461 -0.441 0 C-N-CA 122.116 1.877 . . . . 0.0 111.725 177.071 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 131.36 -25.13 4.09 Favored Glycine 0 CA--C 1.519 0.326 0 CA-C-N 115.985 -0.552 . . . . 0.0 113.373 175.706 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.559 ' HB ' ' HB3' ' A' ' 24' ' ' CYS . 42.3 t -132.3 133.2 60.41 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.42 0 CA-C-N 117.265 0.532 . . . . 0.0 110.754 -178.888 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 49.4 p90 -77.27 178.72 6.88 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.612 -178.353 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 44.7 tp -127.5 107.96 10.39 Favored 'General case' 0 C--O 1.234 0.269 0 N-CA-C 108.987 -0.746 . . . . 0.0 108.987 174.82 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.491 ' HB3' ' HB3' ' A' ' 38' ' ' SER . . . -62.62 97.9 0.11 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.881 0.372 . . . . 0.0 110.981 -176.455 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -82.25 132.1 35.23 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.549 -179.779 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 75.9 m-70 -134.84 155.56 50.43 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 176.509 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.23 -22.82 53.7 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.922 0.392 . . . . 0.0 111.435 -177.49 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -94.16 -34.96 12.73 Favored 'General case' 0 C--O 1.237 0.422 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.464 -179.627 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 21.4 ptt180 -173.4 168.02 4.63 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 121.225 0.536 . . . . 0.0 111.848 -170.464 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 50.1 m-85 -99.91 148.87 24.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.322 -0.854 . . . . 0.0 109.159 173.722 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.491 ' HB3' ' HB3' ' A' ' 31' ' ' ALA . 32.6 t -135.09 147.85 49.67 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.044 0.45 . . . . 0.0 111.034 -177.176 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.4 ' HB3' ' HB3' ' A' ' 44' ' ' TYR . 41.8 t -141.03 89.67 2.26 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.89 174.299 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -71.17 63.33 1.0 Allowed Glycine 0 CA--C 1.521 0.434 0 O-C-N 123.417 0.448 . . . . 0.0 112.286 176.083 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.411 ' HA ' ' HD2' ' A' ' 41' ' ' ARG . 20.7 tpt180 -161.04 -29.97 0.05 Allowed 'General case' 0 CA--C 1.532 0.26 0 N-CA-C 109.955 -0.387 . . . . 0.0 109.955 -178.484 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 15.5 p -139.01 3.46 2.21 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-O 120.706 0.289 . . . . 0.0 110.421 172.066 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 77.35 15.55 81.36 Favored Glycine 0 C--N 1.334 0.463 0 C-N-CA 121.152 -0.547 . . . . 0.0 112.993 175.401 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.4 ' HB3' ' HB3' ' A' ' 39' ' ' CYS . 72.7 t80 -64.39 107.05 1.24 Allowed 'General case' 0 C--O 1.237 0.424 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 178.22 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 14.8 m -128.23 115.76 18.84 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.288 -0.869 . . . . 0.0 109.545 -179.821 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -132.27 129.6 39.8 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.087 -178.181 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 82.7 m-85 -72.97 151.95 41.59 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.867 0.365 . . . . 0.0 110.86 -178.234 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 44.0 mmtt . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 115.638 -0.71 . . . . 0.0 112.515 -176.989 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 62.7 m-85 . . . . . 0 CA--C 1.53 0.187 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.466 ' SG ' ' HD2' ' A' ' 22' ' ' PRO . 49.3 t -78.09 140.8 62.06 Favored Pre-proline 0 N--CA 1.463 0.221 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 178.093 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.466 ' HD2' ' SG ' ' A' ' 21' ' ' CYS . 52.0 Cg_exo -51.52 -71.48 0.04 OUTLIER 'Trans proline' 0 C--N 1.348 0.551 0 C-N-CA 122.32 2.013 . . . . 0.0 112.776 -176.321 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 79.4 mtm-85 -76.56 -38.43 55.0 Favored 'General case' 0 CA--C 1.532 0.265 0 N-CA-C 112.319 0.489 . . . . 0.0 112.319 -171.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.439 ' HB3' ' HB ' ' A' ' 28' ' ' VAL . 4.3 m -80.92 -3.67 52.27 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 120.908 -0.317 . . . . 0.0 110.97 -179.876 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -42.05 -58.18 3.32 Favored Glycine 0 C--N 1.339 0.72 0 O-C-N 123.492 0.495 . . . . 0.0 113.399 -173.282 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_exo -60.29 88.57 0.08 OUTLIER 'Trans proline' 0 CA--C 1.532 0.394 0 C-N-CA 122.263 1.976 . . . . 0.0 111.686 173.441 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 115.64 -25.13 9.84 Favored Glycine 0 CA--C 1.522 0.481 0 CA-C-N 116.028 -0.533 . . . . 0.0 113.518 175.004 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.439 ' HB ' ' HB3' ' A' ' 24' ' ' CYS . 39.9 t -128.13 120.07 52.56 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.438 0 CA-C-N 117.52 0.66 . . . . 0.0 110.942 -177.405 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 48.4 p90 -76.25 -174.49 2.82 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.52 177.549 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 34.7 tp -118.91 119.99 35.98 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 175.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -66.09 90.24 0.14 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.25 0.548 . . . . 0.0 110.938 -176.227 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -77.84 102.26 7.16 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.512 178.728 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 67.4 m-70 -106.38 153.58 22.03 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.195 -0.668 . . . . 0.0 109.195 175.339 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.57 -24.0 63.37 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 120.849 0.357 . . . . 0.0 111.029 -179.74 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -82.62 -40.93 20.13 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.89 177.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.494 ' CB ' ' HA ' ' A' ' 47' ' ' PHE . 16.2 ptt180 -179.15 173.23 1.17 Allowed 'General case' 0 C--O 1.233 0.209 0 CA-C-O 121.09 0.472 . . . . 0.0 111.442 -173.695 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 41.0 m-85 -98.17 138.55 35.28 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.423 -0.808 . . . . 0.0 109.392 175.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 22.0 p -135.4 151.68 50.69 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.958 0.408 . . . . 0.0 110.584 178.433 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.496 ' SG ' ' HB3' ' A' ' 41' ' ' ARG . 48.8 t -134.84 88.3 2.42 Favored 'General case' 0 C--O 1.239 0.535 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.582 177.787 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -65.18 72.2 0.08 OUTLIER Glycine 0 C--N 1.333 0.405 0 N-CA-C 111.462 -0.655 . . . . 0.0 111.462 172.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.496 ' HB3' ' SG ' ' A' ' 39' ' ' CYS . 25.8 tpt180 -168.95 -38.66 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 -174.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 29.1 p -136.98 -2.08 2.12 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.308 176.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 77.64 28.7 56.78 Favored Glycine 0 C--N 1.334 0.445 0 C-N-CA 120.849 -0.691 . . . . 0.0 112.412 178.629 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 69.3 t80 -86.98 109.04 19.11 Favored 'General case' 0 C--O 1.236 0.386 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 176.585 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 39.1 m -130.74 134.59 47.02 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.808 179.695 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.428 ' O ' ' HB2' ' A' ' 36' ' ' ARG . 10.6 tp10 -142.68 133.43 25.38 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.913 -0.403 . . . . 0.0 109.913 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.494 ' HA ' ' CB ' ' A' ' 36' ' ' ARG . 93.0 m-85 -72.87 151.96 41.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.036 0.446 . . . . 0.0 111.749 -175.731 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 43.3 mmtt . . . . . 0 N--CA 1.463 0.216 0 CA-C-N 115.613 -0.722 . . . . 0.0 111.578 -179.185 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 . . . . . 0 C--O 1.233 0.208 0 N-CA-C 109.961 -0.385 . . . . 0.0 109.961 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.649 ' SG ' ' HD2' ' A' ' 22' ' ' PRO . 44.5 t -101.55 143.18 26.09 Favored Pre-proline 0 C--N 1.33 -0.256 0 N-CA-C 110.133 -0.321 . . . . 0.0 110.133 179.091 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.649 ' HD2' ' SG ' ' A' ' 21' ' ' CYS . 18.2 Cg_endo -58.73 -48.93 13.0 Favored 'Trans proline' 0 C--N 1.35 0.657 0 C-N-CA 122.266 1.978 . . . . 0.0 112.718 -175.094 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 30.3 mmt180 -88.02 -60.17 2.04 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-O 120.768 0.318 . . . . 0.0 110.98 -176.131 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.8 m -71.5 -1.25 12.67 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 111.778 0.288 . . . . 0.0 111.778 -175.612 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -34.26 -67.07 0.26 Allowed Glycine 0 C--N 1.342 0.875 0 O-C-N 123.622 0.576 . . . . 0.0 114.363 -172.682 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -55.6 95.98 0.05 OUTLIER 'Trans proline' 0 C--O 1.238 0.504 0 C-N-CA 122.382 2.054 . . . . 0.0 112.087 178.2 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 106.02 -24.31 26.9 Favored Glycine 0 C--N 1.331 0.259 0 CA-C-N 116.067 -0.515 . . . . 0.0 112.891 176.594 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 19.3 t -126.77 98.72 4.95 Favored 'Isoleucine or valine' 0 C--O 1.239 0.523 0 CA-C-N 117.032 0.416 . . . . 0.0 110.732 -177.6 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 48.4 p90 -72.81 174.48 7.64 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.232 177.327 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.429 HD21 ' HB3' ' A' ' 37' ' ' TYR . 51.9 tp -94.99 118.75 32.34 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 177.723 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.99 88.11 0.01 OUTLIER 'General case' 0 C--O 1.234 0.274 0 CA-C-O 121.324 0.583 . . . . 0.0 110.071 178.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -82.19 111.96 18.77 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.197 -0.91 . . . . 0.0 110.397 -176.352 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.427 ' O ' ' HE3' ' A' ' 48' ' ' LYS . 90.1 m-70 -118.0 156.49 28.46 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.046 179.109 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.2 -26.84 68.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.137 0.494 . . . . 0.0 110.717 177.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -80.87 -36.64 31.08 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.432 179.049 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 6.1 ptp180 -177.06 -178.2 0.8 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.16 0.505 . . . . 0.0 111.193 -167.554 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.429 ' HB3' HD21 ' A' ' 30' ' ' LEU . 47.1 m-85 -113.83 139.4 49.18 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.563 -0.903 . . . . 0.0 108.563 174.211 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.41 ' O ' HD12 ' A' ' 30' ' ' LEU . 46.9 t -137.58 156.19 48.36 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.663 0.268 . . . . 0.0 110.385 -178.225 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 53.4 t -149.17 124.84 10.44 Favored 'General case' 0 CA--C 1.514 -0.43 0 N-CA-C 111.815 0.302 . . . . 0.0 111.815 178.18 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.513 ' O ' ' HB2' ' A' ' 41' ' ' ARG . . . -66.08 178.54 12.82 Favored Glycine 0 N--CA 1.447 -0.576 0 N-CA-C 110.004 -1.238 . . . . 0.0 110.004 162.685 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.513 ' HB2' ' O ' ' A' ' 40' ' ' GLY . 9.4 mmt180 76.56 -48.2 0.55 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 117.238 0.519 . . . . 0.0 111.587 177.598 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.417 ' SG ' ' HB2' ' A' ' 44' ' ' TYR . 20.9 p -125.13 -13.67 6.72 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 119.922 -0.711 . . . . 0.0 112.061 179.801 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 76.19 19.56 78.32 Favored Glycine 0 C--N 1.333 0.363 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.676 178.185 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.417 ' HB2' ' SG ' ' A' ' 42' ' ' CYS . 71.6 t80 -61.07 126.53 27.71 Favored 'General case' 0 C--O 1.234 0.278 0 N-CA-C 109.887 -0.412 . . . . 0.0 109.887 179.755 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 5.7 m -134.15 140.64 46.68 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.955 -177.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -150.84 105.98 3.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.177 -179.488 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 72.4 m-85 -67.54 136.81 55.1 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 110.28 -0.267 . . . . 0.0 110.28 178.239 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.427 ' HE3' ' O ' ' A' ' 33' ' ' HIS . 74.2 mttt . . . . . 0 N--CA 1.467 0.399 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.324 -179.665 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 58.0 m-85 . . . . . 0 N--CA 1.449 -0.488 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 48.6 t -82.31 133.59 50.18 Favored Pre-proline 0 C--N 1.321 -0.638 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 179.372 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -43.35 -60.76 0.68 Allowed 'Trans proline' 0 C--N 1.349 0.604 0 C-N-CA 122.753 2.302 . . . . 0.0 113.235 -171.494 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 54.2 mtm180 -87.57 -35.56 18.04 Favored 'General case' 0 CA--C 1.532 0.273 0 N-CA-C 112.448 0.536 . . . . 0.0 112.448 -174.608 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.54 ' HB3' ' HB ' ' A' ' 28' ' ' VAL . 4.3 m -83.54 -1.39 53.63 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 120.735 -0.386 . . . . 0.0 111.111 -178.882 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -42.2 -56.15 4.06 Favored Glycine 0 CA--C 1.523 0.534 0 O-C-N 123.524 0.515 . . . . 0.0 114.273 -173.059 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 48.3 Cg_endo -68.78 76.71 0.79 Allowed 'Trans proline' 0 CA--C 1.534 0.519 0 C-N-CA 122.34 2.026 . . . . 0.0 112.179 177.288 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 131.35 -25.49 4.04 Favored Glycine 0 C--N 1.333 0.402 0 CA-C-N 116.131 -0.486 . . . . 0.0 113.192 174.645 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.54 ' HB ' ' HB3' ' A' ' 24' ' ' CYS . 39.7 t -129.51 114.72 32.12 Favored 'Isoleucine or valine' 0 C--O 1.237 0.423 0 CA-C-N 117.114 0.457 . . . . 0.0 110.564 -179.428 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 20.2 p90 -72.92 -167.06 0.35 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.075 -179.444 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 33.7 tp -132.42 105.84 7.52 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 177.307 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.66 115.62 4.11 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.4 -175.245 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -88.19 125.35 34.58 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-O 121.183 0.516 . . . . 0.0 111.131 179.245 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 57.5 m-70 -124.31 151.74 43.91 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 107.917 -1.142 . . . . 0.0 107.917 169.349 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.02 -22.65 61.02 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.204 0.526 . . . . 0.0 110.227 179.177 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -81.56 -43.23 18.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.193 -0.912 . . . . 0.0 110.886 179.394 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.4 ' CB ' ' HA ' ' A' ' 47' ' ' PHE . 32.2 ptt180 -173.48 -179.9 1.97 Allowed 'General case' 0 CA--C 1.531 0.22 0 CA-C-O 121.241 0.543 . . . . 0.0 111.827 -167.715 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 82.1 m-85 -104.66 147.18 27.94 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 115.059 -0.973 . . . . 0.0 109.016 173.165 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 24.0 t -134.45 140.44 46.25 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-O 120.786 0.327 . . . . 0.0 110.8 -179.38 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.505 ' SG ' ' O ' ' A' ' 40' ' ' GLY . 42.6 t -139.42 125.87 20.37 Favored 'General case' 0 CA--C 1.514 -0.414 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.651 177.464 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.505 ' O ' ' SG ' ' A' ' 39' ' ' CYS . . . -70.47 176.91 34.25 Favored Glycine 0 N--CA 1.444 -0.814 0 N-CA-C 110.12 -1.192 . . . . 0.0 110.12 164.165 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.425 ' HB3' ' O ' ' A' ' 40' ' ' GLY . 35.4 ttt85 76.09 -44.21 0.49 Allowed 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 122.936 0.494 . . . . 0.0 112.168 175.097 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.511 ' SG ' ' HB2' ' A' ' 44' ' ' TYR . 9.6 p -127.66 -6.04 5.75 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 119.656 -0.818 . . . . 0.0 111.957 177.106 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 70.46 22.69 77.81 Favored Glycine 0 C--N 1.334 0.438 0 C-N-CA 120.435 -0.888 . . . . 0.0 112.292 174.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.511 ' HB2' ' SG ' ' A' ' 42' ' ' CYS . 62.3 t80 -59.12 104.92 0.28 Allowed 'General case' 0 C--O 1.236 0.383 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 177.036 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 6.1 m -125.99 108.39 11.35 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.123 -179.748 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -134.06 127.29 31.92 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.288 -177.181 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.4 ' HA ' ' CB ' ' A' ' 36' ' ' ARG . 70.2 m-85 -61.44 156.93 18.07 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.758 -177.1 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 54.0 mmtt . . . . . 0 N--CA 1.47 0.572 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.692 174.691 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.407 ' SD ' ' N ' ' A' ' 1' ' ' MET . 1.3 mpt? . . . . . 0 N--CA 1.483 1.206 0 N-CA-C 110.343 -0.243 . . . . 0.0 110.343 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 67.22 105.15 0.05 OUTLIER 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.711 -178.295 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.784 ' H ' ' HD3' ' A' ' 3' ' ' LYS . 0.2 OUTLIER -101.68 125.88 48.43 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 176.714 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.585 ' HD2' ' N ' ' A' ' 4' ' ' ARG . 1.5 mpt_? -98.8 92.37 5.53 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 -178.8 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -121.83 76.14 1.26 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.52 -177.257 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.44 ' N ' HD12 ' A' ' 6' ' ' LEU . 6.3 mp -93.49 83.67 4.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.406 175.759 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 24.7 p90 -98.76 134.01 42.26 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.901 -177.607 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -80.52 178.63 8.2 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.428 -0.805 . . . . 0.0 111.373 -177.036 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.468 HG12 ' HB3' ' A' ' 55' ' ' SER . 33.4 pt -139.28 149.31 23.08 Favored 'Isoleucine or valine' 0 C--O 1.236 0.372 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.785 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -114.51 90.12 3.26 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 174.488 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -105.95 133.72 50.22 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.563 -175.296 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -66.58 101.25 0.61 Allowed Glycine 0 N--CA 1.452 -0.278 0 N-CA-C 111.532 -0.627 . . . . 0.0 111.532 177.005 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -63.77 88.31 0.04 OUTLIER 'General case' 0 CA--C 1.531 0.237 0 CA-C-O 120.949 0.404 . . . . 0.0 110.846 -177.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 88.9 mt -95.26 96.18 9.0 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.383 179.046 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 59.7 t -132.15 100.36 4.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.488 178.449 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 73.3 mtt-85 -72.65 88.67 1.28 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.051 0.453 . . . . 0.0 110.263 -179.59 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 83.3 tttt -59.4 162.32 4.9 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.58 -178.391 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 59.9 m-70 65.12 52.27 1.53 Allowed 'General case' 0 N--CA 1.467 0.395 0 CA-C-O 121.345 0.593 . . . . 0.0 109.411 -174.381 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.438 ' HD3' ' O ' ' A' ' 20' ' ' PHE . 0.6 OUTLIER -76.79 108.66 9.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.613 -0.722 . . . . 0.0 109.315 179.902 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.438 ' O ' ' HD3' ' A' ' 19' ' ' ARG . 88.8 m-85 -76.42 173.45 11.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.318 0.58 . . . . 0.0 111.514 -175.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.427 ' O ' ' N ' ' A' ' 25' ' ' GLY . 43.9 t -87.93 118.46 69.69 Favored Pre-proline 0 C--N 1.327 -0.409 0 N-CA-C 108.566 -0.902 . . . . 0.0 108.566 175.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_exo -37.38 -58.43 0.59 Allowed 'Trans proline' 0 C--N 1.349 0.567 0 C-N-CA 123.574 2.849 . . . . 0.0 114.092 -165.404 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 41.8 mtm180 -86.39 -29.89 22.56 Favored 'General case' 0 CA--C 1.534 0.334 0 N-CA-C 112.244 0.461 . . . . 0.0 112.244 -173.509 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.551 ' HB3' ' HB ' ' A' ' 28' ' ' VAL . 8.2 m -89.47 -6.32 56.56 Favored 'General case' 0 N--CA 1.473 0.716 0 O-C-N 122.313 -0.242 . . . . 0.0 111.145 -179.11 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.427 ' N ' ' O ' ' A' ' 21' ' ' CYS . . . -40.81 -65.95 0.96 Allowed Glycine 0 C--N 1.336 0.546 0 O-C-N 123.73 0.644 . . . . 0.0 113.693 -169.511 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_exo -65.77 90.79 0.24 Allowed 'Trans proline' 0 C--O 1.235 0.365 0 C-N-CA 122.292 1.995 . . . . 0.0 111.326 175.538 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 124.65 -24.77 6.04 Favored Glycine 0 C--N 1.329 0.163 0 CA-C-N 116.133 -0.485 . . . . 0.0 112.513 177.149 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.551 ' HB ' ' HB3' ' A' ' 24' ' ' CYS . 25.3 t -136.22 98.96 1.95 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.503 0 CA-C-O 120.751 0.31 . . . . 0.0 110.524 178.67 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 17.2 p90 -64.17 160.76 17.7 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.169 -0.469 . . . . 0.0 109.895 175.293 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.683 ' HG ' ' HB3' ' A' ' 37' ' ' TYR . 26.7 tp -93.43 111.36 23.01 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 108.376 -0.972 . . . . 0.0 108.376 176.13 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.465 ' O ' ' HA ' ' A' ' 37' ' ' TYR . . . -52.26 92.33 0.01 OUTLIER 'General case' 0 C--O 1.235 0.305 0 O-C-N 123.513 0.508 . . . . 0.0 111.42 -174.144 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 44.9 tt0 -78.24 107.16 10.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.718 -179.202 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 90.9 m-70 -102.92 160.96 14.14 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.329 -0.85 . . . . 0.0 109.451 173.481 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.3 -27.22 54.76 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.183 0.438 . . . . 0.0 112.183 -175.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -110.44 -15.91 13.81 Favored 'General case' 0 CA--C 1.532 0.258 0 N-CA-C 112.189 0.44 . . . . 0.0 112.189 -175.039 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 34.6 ptt-85 -171.0 -169.69 0.78 Allowed 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 120.472 -0.491 . . . . 0.0 111.894 -173.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.683 ' HB3' ' HG ' ' A' ' 30' ' ' LEU . 51.7 m-85 -131.24 160.31 35.25 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 124.16 0.984 . . . . 0.0 108.628 179.069 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 9.6 t -157.26 162.3 39.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.785 0.326 . . . . 0.0 110.378 173.036 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 37.0 t -134.71 90.97 2.71 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.642 -177.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -66.01 78.55 0.11 Allowed Glycine 0 C--N 1.332 0.337 0 N-CA-C 111.579 -0.609 . . . . 0.0 111.579 173.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 8.2 tpt180 -176.94 -51.28 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 -176.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.4 ' SG ' ' HB2' ' A' ' 44' ' ' TYR . 14.3 p -127.26 4.82 6.34 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.668 178.612 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 77.25 12.37 84.66 Favored Glycine 0 C--N 1.335 0.527 0 C-N-CA 121.01 -0.614 . . . . 0.0 113.207 175.124 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.4 ' HB2' ' SG ' ' A' ' 42' ' ' CYS . 51.3 t80 -69.91 111.25 5.5 Favored 'General case' 0 C--O 1.236 0.384 0 N-CA-C 109.67 -0.492 . . . . 0.0 109.67 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.447 HG23 ' O ' ' A' ' 37' ' ' TYR . 98.9 m -124.53 135.91 53.56 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.682 179.147 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -141.8 147.23 36.94 Favored 'General case' 0 C--O 1.22 -0.497 0 N-CA-C 108.608 -0.886 . . . . 0.0 108.608 -177.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -96.03 153.0 18.01 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 118.176 0.444 . . . . 0.0 111.625 -176.148 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 67.9 mmtt -67.14 90.39 0.2 Allowed 'General case' 0 C--O 1.234 0.279 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 171.212 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -62.26 118.06 6.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.166 -175.319 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.77 123.98 19.46 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.388 177.414 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.7 mmmp? -79.3 95.24 5.64 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.93 -0.396 . . . . 0.0 109.93 -177.689 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -74.08 80.6 1.73 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.313 0.578 . . . . 0.0 110.677 -178.513 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 31.9 p -95.26 145.49 25.03 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.556 -0.747 . . . . 0.0 109.625 175.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.445 ' NZ ' ' HB2' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -61.86 -24.23 66.77 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 120.966 0.412 . . . . 0.0 110.522 177.601 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.468 ' HB3' HG12 ' A' ' 9' ' ' ILE . 34.4 t . . . . . 0 C--O 1.249 1.028 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 175.274 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.4 ptt? . . . . . 0 N--CA 1.482 1.161 0 CA-C-O 120.664 0.269 . . . . 0.0 110.478 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 29.2 pt20 -141.07 147.78 39.14 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.217 -0.66 . . . . 0.0 109.217 175.019 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 58.0 pttt -121.93 144.41 48.88 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.918 0.389 . . . . 0.0 111.131 -174.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.409 HH11 ' HD3' ' A' ' 4' ' ' ARG . 25.8 mtm180 -77.74 90.13 4.02 Favored 'General case' 0 C--O 1.235 0.326 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 177.775 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -147.48 91.56 1.98 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.906 -175.086 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 85.8 mt -121.01 107.76 13.04 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.301 -179.438 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 93.4 m-85 -71.71 89.02 1.0 Allowed 'General case' 0 C--O 1.235 0.337 0 CA-C-O 121.161 0.505 . . . . 0.0 110.638 -179.304 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -79.64 175.48 10.58 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.253 -177.262 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 69.6 mt -135.21 99.92 2.58 Favored 'Isoleucine or valine' 0 C--O 1.234 0.282 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.156 -177.611 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -141.24 3.5 1.76 Allowed 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 120.741 0.305 . . . . 0.0 111.437 -179.508 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 11.3 p-10 -89.63 -161.76 0.81 Allowed 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 120.731 0.3 . . . . 0.0 110.825 -177.582 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 85.46 -46.71 3.7 Favored Glycine 0 C--N 1.333 0.406 0 C-N-CA 121.342 -0.456 . . . . 0.0 113.22 175.358 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 58.0 mttp -82.71 38.59 0.58 Allowed 'General case' 0 N--CA 1.467 0.417 0 CA-C-O 120.7 0.286 . . . . 0.0 111.626 -175.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.408 HD21 ' HB3' ' A' ' 53' ' ' SER . 99.3 mt -80.88 -34.52 33.52 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.732 0.301 . . . . 0.0 110.582 179.649 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 7.1 p -63.25 -31.5 52.99 Favored 'Isoleucine or valine' 0 C--O 1.235 0.296 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.937 177.646 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 38.2 ttm180 -158.94 111.03 2.18 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.996 -179.709 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.477 ' HD2' ' N ' ' A' ' 17' ' ' LYS . 11.9 mptt -73.89 96.6 2.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.394 -176.059 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 76.4 m-70 -88.68 59.31 5.05 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.036 0.446 . . . . 0.0 110.832 176.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 91.5 mtt-85 -94.23 98.61 11.06 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 175.536 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 75.7 m-85 -73.14 165.07 25.73 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.361 -176.402 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.403 ' O ' ' N ' ' A' ' 25' ' ' GLY . 42.6 t -71.0 125.44 92.01 Favored Pre-proline 0 C--N 1.328 -0.361 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 -179.693 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -44.63 -46.64 12.16 Favored 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 122.785 2.323 . . . . 0.0 113.407 -171.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 29.6 mmt85 -87.7 -44.59 11.06 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 112.021 -175.711 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.471 ' HB3' ' HB ' ' A' ' 28' ' ' VAL . 5.6 m -87.63 -0.76 57.32 Favored 'General case' 0 N--CA 1.473 0.724 0 N-CA-C 111.828 0.307 . . . . 0.0 111.828 -175.185 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 21' ' ' CYS . . . -38.28 -62.04 1.14 Allowed Glycine 0 N--CA 1.464 0.54 0 O-C-N 123.607 0.567 . . . . 0.0 114.23 -171.673 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 26.8 Cg_exo -63.09 81.63 0.11 Allowed 'Trans proline' 0 CA--C 1.534 0.504 0 C-N-CA 122.577 2.184 . . . . 0.0 112.218 177.577 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 125.59 -24.84 5.75 Favored Glycine 0 CA--C 1.519 0.34 0 C-N-CA 121.35 -0.452 . . . . 0.0 112.954 176.41 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.471 ' HB ' ' HB3' ' A' ' 24' ' ' CYS . 43.0 t -132.76 109.67 14.74 Favored 'Isoleucine or valine' 0 C--O 1.238 0.49 0 CA-C-O 121.019 0.438 . . . . 0.0 111.016 -178.851 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 31.8 p90 -71.12 -171.94 0.63 Allowed 'General case' 0 C--O 1.236 0.358 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.979 177.13 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 36.4 tp -110.23 113.85 26.85 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 176.58 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.91 112.82 3.09 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-O 120.865 0.364 . . . . 0.0 110.73 -176.316 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -90.65 116.76 28.78 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.577 -179.051 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 66.0 m-70 -112.34 152.58 28.4 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 175.02 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -53.83 -31.48 49.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.868 0.366 . . . . 0.0 111.675 -176.42 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 28.9 m-20 -89.69 -34.82 16.11 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.79 -178.038 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 13.0 ptp180 -167.54 171.42 10.36 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 121.121 0.486 . . . . 0.0 111.551 -169.083 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 88.2 m-85 -98.34 153.09 18.79 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.714 -0.676 . . . . 0.0 109.235 173.078 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.454 ' HA ' ' HA ' ' A' ' 45' ' ' THR . 22.1 t -152.96 163.01 40.62 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.083 0.468 . . . . 0.0 110.523 178.667 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 35.1 t -138.97 91.19 2.5 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.017 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -65.72 75.64 0.11 Allowed Glycine 0 N--CA 1.451 -0.318 0 O-C-N 123.628 0.58 . . . . 0.0 111.944 175.761 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 11.8 tpt180 -171.45 -54.43 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.338 -0.615 . . . . 0.0 109.338 -179.034 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 25.4 p -114.59 -7.51 12.77 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.743 176.539 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 83.75 21.24 58.21 Favored Glycine 0 C--N 1.336 0.577 0 C-N-CA 121.036 -0.602 . . . . 0.0 113.034 178.074 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 62.5 t80 -71.89 102.92 3.02 Favored 'General case' 0 C--O 1.235 0.305 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 175.131 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.454 ' HA ' ' HA ' ' A' ' 38' ' ' SER . 53.7 m -128.93 114.05 15.97 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.818 -177.598 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -134.54 138.59 44.76 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.054 -0.521 . . . . 0.0 109.772 -174.395 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -63.38 157.49 22.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.536 -175.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 38.1 mmtt -52.99 95.59 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.293 0 CA-C-O 121.282 0.563 . . . . 0.0 110.177 172.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -130.04 32.08 4.58 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.193 -0.912 . . . . 0.0 109.121 -176.671 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -72.52 136.99 46.01 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-N 115.154 -0.93 . . . . 0.0 110.891 -176.583 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 30.5 mmmt -98.68 152.81 19.24 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.19 177.121 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.641 ' HD3' ' N ' ' A' ' 53' ' ' SER . 12.7 tmtt? -79.37 154.43 29.02 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.458 -0.941 . . . . 0.0 108.458 177.325 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.641 ' N ' ' HD3' ' A' ' 52' ' ' LYS . 20.0 p -57.14 127.4 31.74 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 120.859 0.361 . . . . 0.0 110.907 -179.093 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 21.5 ptmt -78.54 160.35 27.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.506 178.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 47.3 p . . . . . 0 C--O 1.25 1.109 0 CA-C-O 118.723 -0.656 . . . . 0.0 109.439 176.535 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.614 ' SD ' ' N ' ' A' ' 1' ' ' MET . 0.8 OUTLIER . . . . . 0 N--CA 1.48 1.069 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 29.5 pt20 -82.14 134.87 35.35 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.345 -176.296 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -141.94 118.41 10.91 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.815 177.428 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 52.9 ttt85 -82.07 -8.75 59.68 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-O 120.97 0.414 . . . . 0.0 110.641 -179.262 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -121.22 78.18 1.39 Allowed 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 176.589 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 95.0 mt -82.15 108.5 15.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.603 179.051 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 80.8 m-85 62.06 -172.0 0.15 Allowed 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 121.408 0.623 . . . . 0.0 111.598 175.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -113.47 107.84 16.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.921 178.03 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 12.6 pt -69.67 133.78 31.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.579 178.418 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.08 118.96 14.53 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.131 -177.69 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -147.18 150.7 35.45 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.074 -0.512 . . . . 0.0 109.951 177.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 117.25 52.17 0.34 Allowed Glycine 0 C--N 1.328 0.128 0 N-CA-C 111.603 -0.599 . . . . 0.0 111.603 -178.004 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 22.7 pttp -78.24 152.65 32.46 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-O 121.082 0.468 . . . . 0.0 111.232 -178.024 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 95.2 mt -123.2 173.58 7.81 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.651 177.136 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 26.6 m -77.89 3.24 1.62 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.36 0 N-CA-C 111.788 0.292 . . . . 0.0 111.788 -176.451 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 59.1 ttt180 -70.28 118.09 12.66 Favored 'General case' 0 C--O 1.234 0.263 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 176.561 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 85.1 tttt -51.31 103.87 0.07 Allowed 'General case' 0 C--O 1.237 0.396 0 CA-C-O 121.463 0.649 . . . . 0.0 112.254 -172.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 69.8 m80 -119.59 166.15 13.53 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 114.953 -1.021 . . . . 0.0 108.34 170.737 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 35.2 mtp180 -117.0 154.06 31.58 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.885 0.374 . . . . 0.0 110.223 177.632 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 85.5 m-85 -115.06 143.86 44.54 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 175.172 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 43.3 t -69.64 122.8 86.98 Favored Pre-proline 0 C--N 1.324 -0.518 0 N-CA-C 109.708 -0.478 . . . . 0.0 109.708 -179.338 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -33.95 -46.9 0.47 Allowed 'Trans proline' 0 C--N 1.352 0.747 0 C-N-CA 124.004 3.136 . . . . 0.0 114.136 -171.528 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 23.7 mmm-85 -97.45 -48.91 5.1 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.905 -173.415 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 2.4 m -81.09 -0.4 39.83 Favored 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 111.536 0.198 . . . . 0.0 111.536 -176.078 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -37.05 -61.81 0.91 Allowed Glycine 0 C--N 1.339 0.717 0 O-C-N 123.549 0.531 . . . . 0.0 113.993 -174.091 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 22.9 Cg_exo -64.61 81.83 0.17 Allowed 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.503 2.135 . . . . 0.0 112.01 176.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 128.72 -25.76 4.66 Favored Glycine 0 C--N 1.33 0.203 0 CA-C-N 116.038 -0.528 . . . . 0.0 112.585 176.067 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 31.9 t -133.5 98.5 2.71 Favored 'Isoleucine or valine' 0 C--O 1.239 0.508 0 CA-C-O 120.959 0.409 . . . . 0.0 110.141 178.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 50.2 p90 -68.9 173.78 5.04 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.432 177.029 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.79 ' HG ' ' HB3' ' A' ' 37' ' ' TYR . 20.5 tp -94.84 101.42 13.23 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 178.245 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -54.81 111.42 0.82 Allowed 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.398 -174.704 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 51.4 tt0 -84.45 124.68 31.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.051 -177.393 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 74.6 m-70 -128.17 155.77 43.96 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 108.691 -0.855 . . . . 0.0 108.691 172.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.83 -27.57 66.74 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 120.885 0.374 . . . . 0.0 111.193 -177.269 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -80.43 -39.42 28.27 Favored 'General case' 0 C--O 1.238 0.499 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.752 178.386 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 34.7 ptt180 -175.92 171.63 2.59 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.119 -170.628 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.79 ' HB3' ' HG ' ' A' ' 30' ' ' LEU . 52.9 m-85 -98.23 149.51 22.49 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.261 -1.015 . . . . 0.0 108.261 169.577 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 7.9 t -151.94 163.04 40.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.839 0.352 . . . . 0.0 110.558 177.479 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 23.4 t -130.05 118.81 22.12 Favored 'General case' 0 CA--C 1.511 -0.546 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.499 -175.638 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.562 ' O ' ' HB2' ' A' ' 41' ' ' ARG . . . -60.44 157.12 29.52 Favored Glycine 0 N--CA 1.444 -0.832 0 C-N-CA 120.282 -0.961 . . . . 0.0 110.919 169.026 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.562 ' HB2' ' O ' ' A' ' 40' ' ' GLY . 9.8 mpt_? 84.27 -51.83 0.12 Allowed 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 123.862 0.865 . . . . 0.0 111.966 177.149 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 1.8 p -116.98 -7.08 11.4 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-N 119.311 0.96 . . . . 0.0 112.02 -178.177 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 69.78 19.9 75.46 Favored Glycine 0 C--N 1.332 0.334 0 C-N-CA 120.923 -0.656 . . . . 0.0 113.419 174.596 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 84.6 t80 -62.59 117.31 6.06 Favored 'General case' 0 C--O 1.232 0.174 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 175.607 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 70.8 m -121.14 144.85 48.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 123.407 0.442 . . . . 0.0 110.852 -177.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -145.39 114.13 6.83 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 179.328 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -66.96 149.5 50.54 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 112.616 0.598 . . . . 0.0 112.616 -171.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 31.6 mmtt -70.02 78.19 0.49 Allowed 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.037 179.595 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.483 ' NZ ' ' HB2' ' A' ' 49' ' ' LYS . 2.8 ttmp? -108.64 136.47 48.18 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 175.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -57.49 130.52 46.68 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 112.332 0.493 . . . . 0.0 112.332 -172.657 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.493 ' HE3' ' HA ' ' A' ' 51' ' ' LYS . 0.2 OUTLIER -85.68 105.72 16.44 Favored 'General case' 0 C--O 1.236 0.349 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 172.813 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 66.5 mttm 68.04 107.64 0.05 OUTLIER 'General case' 0 N--CA 1.465 0.279 0 O-C-N 123.817 0.698 . . . . 0.0 110.203 -176.011 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 17.9 p -127.91 179.88 5.32 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.029 -176.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -61.54 168.24 2.97 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.413 179.566 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 28.5 t . . . . . 0 C--O 1.25 1.083 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.05 -179.115 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.5 mtt . . . . . 0 N--CA 1.48 1.065 0 N-CA-C 110.048 -0.353 . . . . 0.0 110.048 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 69.81 109.83 0.05 Allowed 'General case' 0 CA--C 1.534 0.332 0 O-C-N 123.603 0.564 . . . . 0.0 110.565 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.402 ' H ' ' HD3' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -54.17 -30.84 50.9 Favored 'General case' 0 N--CA 1.467 0.423 0 N-CA-C 112.395 0.517 . . . . 0.0 112.395 -175.458 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.439 ' HG3' ' O ' ' A' ' 4' ' ' ARG . 16.9 ptt180 -87.54 106.23 17.85 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 121.607 0.717 . . . . 0.0 110.331 179.122 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -144.28 88.75 1.96 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.265 -0.88 . . . . 0.0 109.57 178.491 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 86.4 mt -114.43 91.59 3.67 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.196 -0.911 . . . . 0.0 110.055 -178.392 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 16.6 p90 -105.6 105.99 16.29 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.277 0.561 . . . . 0.0 109.897 178.275 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -153.52 122.11 6.32 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.444 -0.798 . . . . 0.0 109.886 179.141 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 23.4 pt -86.34 126.15 40.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 120.955 0.407 . . . . 0.0 110.891 -177.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -140.39 106.54 5.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.172 -179.229 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 11.5 p-10 -145.21 164.77 30.33 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.028 -178.228 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -87.18 109.05 3.41 Favored Glycine 0 C--N 1.33 0.207 0 C-N-CA 121.196 -0.526 . . . . 0.0 112.148 -179.214 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.554 ' HG2' HD13 ' A' ' 14' ' ' LEU . 87.0 tttt -147.57 130.92 16.59 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.711 -0.477 . . . . 0.0 109.711 -179.12 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.554 HD13 ' HG2' ' A' ' 13' ' ' LYS . 10.8 mp 58.31 36.81 25.85 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-O 121.225 0.536 . . . . 0.0 110.118 -174.28 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 98.6 t -102.94 -56.21 5.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.034 -177.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.48 -68.25 0.11 Allowed 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 121.202 -0.199 . . . . 0.0 111.042 -175.561 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 36.8 mtmm -69.86 78.51 0.46 Allowed 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.918 -170.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER 164.2 114.15 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 124.316 1.046 . . . . 0.0 109.194 175.409 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 52.6 mtp180 -75.54 141.38 42.99 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 175.651 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 77.3 m-85 -117.78 166.39 12.5 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 179.253 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.431 ' HB2' HD13 ' A' ' 30' ' ' LEU . 34.3 t -82.29 119.94 75.96 Favored Pre-proline 0 C--N 1.328 -0.328 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 -179.665 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_exo -41.95 -58.11 1.29 Allowed 'Trans proline' 0 C--N 1.349 0.575 0 C-N-CA 123.008 2.472 . . . . 0.0 113.469 -169.694 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 60.5 mtm180 -82.58 -35.59 26.99 Favored 'General case' 0 CA--C 1.533 0.327 0 N-CA-C 112.53 0.567 . . . . 0.0 112.53 -173.381 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 9.3 m -86.39 -5.12 59.24 Favored 'General case' 0 N--CA 1.473 0.722 0 O-C-N 122.224 -0.297 . . . . 0.0 111.009 -179.241 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 21' ' ' CYS . . . -43.98 -63.83 2.15 Favored Glycine 0 C--N 1.335 0.51 0 O-C-N 123.569 0.543 . . . . 0.0 114.122 -170.434 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_endo -61.68 81.81 0.09 OUTLIER 'Trans proline' 0 CA--C 1.531 0.375 0 C-N-CA 122.435 2.09 . . . . 0.0 112.148 179.487 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 126.94 -25.11 5.32 Favored Glycine 0 CA--C 1.518 0.249 0 CA-C-N 115.93 -0.577 . . . . 0.0 112.61 177.385 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 22.0 t -126.68 100.13 6.26 Favored 'Isoleucine or valine' 0 C--O 1.237 0.416 0 CA-C-O 120.871 0.367 . . . . 0.0 110.687 -179.07 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 49.0 p90 -64.82 159.17 23.12 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.881 175.054 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.552 ' HG ' ' HB3' ' A' ' 37' ' ' TYR . 23.2 tp -91.75 117.89 30.18 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 179.502 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.38 101.82 0.12 Allowed 'General case' 0 C--O 1.235 0.291 0 CA-C-O 120.982 0.42 . . . . 0.0 110.988 -176.297 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -85.1 115.97 23.2 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.188 -177.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 18.2 m-70 -113.05 155.5 24.76 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 108.467 -0.938 . . . . 0.0 108.467 172.402 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.56 -28.65 63.74 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-O 120.819 0.342 . . . . 0.0 111.414 -177.297 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -89.03 -33.15 17.26 Favored 'General case' 0 C--O 1.237 0.436 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.347 -178.016 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.453 ' HB2' ' O ' ' A' ' 46' ' ' GLU . 5.9 ptp180 -172.17 168.24 5.77 Favored 'General case' 0 N--CA 1.462 0.136 0 CA-C-O 121.073 0.463 . . . . 0.0 111.706 -168.473 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.552 ' HB3' ' HG ' ' A' ' 30' ' ' LEU . 95.4 m-85 -97.96 153.13 18.57 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.238 170.853 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 10.3 t -146.39 159.24 43.64 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.724 -0.472 . . . . 0.0 109.724 175.754 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.598 ' SG ' ' HB3' ' A' ' 41' ' ' ARG . 38.8 t -133.92 91.32 2.81 Favored 'General case' 0 C--O 1.236 0.377 0 N-CA-C 111.989 0.366 . . . . 0.0 111.989 -178.615 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -67.59 74.83 0.22 Allowed Glycine 0 C--N 1.332 0.342 0 N-CA-C 110.886 -0.886 . . . . 0.0 110.886 171.129 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.598 ' HB3' ' SG ' ' A' ' 39' ' ' CYS . 32.6 tpt180 -173.34 -37.19 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 -175.654 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 16.3 p -146.48 11.7 1.15 Allowed 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.565 174.536 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 75.6 3.5 72.57 Favored Glycine 0 C--N 1.337 0.629 0 CA-C-N 116.413 -0.358 . . . . 0.0 113.84 173.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 60.9 t80 -61.57 109.14 1.1 Allowed 'General case' 0 C--O 1.234 0.257 0 CA-C-N 117.254 0.527 . . . . 0.0 110.186 -178.171 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 32.9 m -126.89 119.17 26.12 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.19 -178.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.453 ' O ' ' HB2' ' A' ' 36' ' ' ARG . 26.5 tt0 -122.15 140.34 52.68 Favored 'General case' 0 C--O 1.224 -0.283 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 -178.743 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 69.1 m-85 -77.26 141.88 39.76 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 110.46 -0.2 . . . . 0.0 110.46 177.793 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 43.6 mmtt -54.33 102.91 0.07 Allowed 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.602 178.435 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.727 ' HA ' ' HE2' ' A' ' 49' ' ' LYS . 10.8 mmpt? -69.19 90.66 0.49 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.254 0.55 . . . . 0.0 110.089 178.33 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -109.3 28.16 8.8 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 115.293 -0.867 . . . . 0.0 110.397 -178.044 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.552 ' HE3' ' HA ' ' A' ' 51' ' ' LYS . 1.8 tpmt? -54.37 -37.47 65.0 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 115.648 -0.706 . . . . 0.0 109.87 176.562 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt 55.39 86.57 0.06 Allowed 'General case' 0 C--O 1.234 0.262 0 CA-C-N 114.786 -1.097 . . . . 0.0 111.016 178.367 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 37.7 m -142.17 -174.02 3.99 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.365 -0.834 . . . . 0.0 109.345 179.502 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.531 ' N ' ' HD2' ' A' ' 54' ' ' LYS . 11.8 mptt -69.82 117.83 11.91 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 179.269 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 46.8 m . . . . . 0 C--O 1.249 1.026 0 O-C-N 124.169 0.918 . . . . 0.0 110.061 -172.923 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.9 ptt? . . . . . 0 N--CA 1.481 1.094 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 33.8 tt0 -169.85 86.14 0.13 Allowed 'General case' 0 C--O 1.234 0.286 0 CA-C-O 121.048 0.451 . . . . 0.0 110.157 179.374 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.661 ' H ' ' HD3' ' A' ' 3' ' ' LYS . 0.1 OUTLIER -85.34 134.89 34.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.553 -178.787 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 48.6 mtm180 -119.25 109.11 15.45 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 110.09 -0.337 . . . . 0.0 110.09 177.227 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -75.54 -50.97 14.02 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.187 -0.46 . . . . 0.0 109.844 179.225 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 91.8 mt 55.65 -166.82 0.1 Allowed 'General case' 0 C--O 1.236 0.358 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.291 177.677 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 16.3 p90 -144.18 93.61 2.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.306 0.574 . . . . 0.0 110.724 -176.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 6.5 mp0 -96.86 147.55 23.83 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.775 -0.648 . . . . 0.0 109.606 175.184 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 49.0 mm 66.51 100.69 0.04 OUTLIER 'Isoleucine or valine' 0 C--O 1.236 0.343 0 CA-C-O 121.248 0.547 . . . . 0.0 111.169 179.192 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -148.27 21.28 1.08 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.271 178.603 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -81.01 -52.68 7.16 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.068 -178.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -71.42 79.39 0.55 Allowed Glycine 0 N--CA 1.453 -0.215 0 CA-C-N 115.867 -0.606 . . . . 0.0 112.329 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 55.5 mtpt -96.66 151.29 19.76 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 122.526 0.33 . . . . 0.0 110.225 -178.679 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.421 HD12 ' N ' ' A' ' 14' ' ' LEU . 6.6 mp -82.6 93.14 7.26 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-O 120.891 0.377 . . . . 0.0 110.094 -178.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 7.3 p -117.42 131.31 70.53 Favored 'Isoleucine or valine' 0 C--O 1.235 0.302 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.097 -178.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.465 ' O ' ' HD3' ' A' ' 16' ' ' ARG . 1.3 tmt_? 74.82 -17.0 0.51 Allowed 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 123.437 0.695 . . . . 0.0 111.827 173.537 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 59.2 mttm -68.19 94.97 0.55 Allowed 'General case' 0 C--O 1.235 0.311 0 CA-C-O 120.737 0.304 . . . . 0.0 110.996 -178.572 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 26.3 p80 -160.99 99.22 1.21 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.301 0.572 . . . . 0.0 110.888 174.302 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 52.9 mtp180 -134.74 108.97 8.28 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 173.574 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.465 ' HB3' ' HA2' ' A' ' 25' ' ' GLY . 46.9 m-85 -72.88 167.58 20.69 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.122 0.487 . . . . 0.0 110.644 -179.362 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 45.3 t -67.52 128.37 93.57 Favored Pre-proline 0 C--N 1.324 -0.5 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.204 -178.765 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 65.4 Cg_exo -38.63 -49.68 2.51 Favored 'Trans proline' 0 C--N 1.352 0.74 0 C-N-CA 123.252 2.635 . . . . 0.0 113.696 -173.109 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 72.8 mtp180 -92.71 -52.0 4.83 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.711 -174.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.427 ' CB ' ' HB ' ' A' ' 28' ' ' VAL . 3.5 m -75.76 -0.79 22.18 Favored 'General case' 0 N--CA 1.474 0.732 0 N-CA-C 111.638 0.236 . . . . 0.0 111.638 -176.731 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.465 ' HA2' ' HB3' ' A' ' 20' ' ' PHE . . . -38.41 -64.73 0.81 Allowed Glycine 0 C--N 1.339 0.732 0 O-C-N 123.536 0.523 . . . . 0.0 114.306 -172.563 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 22.5 Cg_exo -64.23 85.14 0.15 Allowed 'Trans proline' 0 CA--C 1.534 0.493 0 C-N-CA 122.256 1.971 . . . . 0.0 111.977 178.13 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 124.48 -25.06 6.04 Favored Glycine 0 CA--C 1.517 0.165 0 C-N-CA 121.199 -0.524 . . . . 0.0 113.296 174.404 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.427 ' HB ' ' CB ' ' A' ' 24' ' ' CYS . 27.4 t -126.94 112.11 27.93 Favored 'Isoleucine or valine' 0 C--O 1.237 0.416 0 CA-C-N 117.088 0.444 . . . . 0.0 110.168 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 35.8 p90 -67.23 174.01 3.5 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.438 -179.019 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.445 ' HG ' ' HB3' ' A' ' 37' ' ' TYR . 32.7 tp -113.3 111.57 22.25 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 173.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.84 95.83 0.12 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.296 -175.113 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -80.35 117.29 20.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.619 178.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 93.3 m-70 -120.06 156.84 30.14 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 173.055 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.3 -25.02 63.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.108 0.48 . . . . 0.0 110.477 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -76.75 -45.22 29.98 Favored 'General case' 0 C--O 1.237 0.437 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.607 176.326 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.435 ' HB2' ' O ' ' A' ' 46' ' ' GLU . 16.8 ptt180 179.38 172.96 0.87 Allowed 'General case' 0 CA--C 1.529 0.165 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.229 -170.658 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.445 ' HB3' ' HG ' ' A' ' 30' ' ' LEU . 13.9 m-85 -98.31 140.62 32.32 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 108.971 -0.752 . . . . 0.0 108.971 175.295 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 8.2 t -135.97 159.73 40.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.734 0.302 . . . . 0.0 110.475 179.699 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.611 ' SG ' ' O ' ' A' ' 40' ' ' GLY . 41.9 t -143.54 121.04 11.72 Favored 'General case' 0 CA--C 1.512 -0.516 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.798 -179.596 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.611 ' O ' ' SG ' ' A' ' 39' ' ' CYS . . . -65.95 179.3 11.03 Favored Glycine 0 N--CA 1.446 -0.652 0 N-CA-C 110.076 -1.21 . . . . 0.0 110.076 163.728 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.472 ' HB2' ' O ' ' A' ' 40' ' ' GLY . 9.2 mpt_? 74.28 -46.76 0.62 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 117.182 0.491 . . . . 0.0 111.79 178.398 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.431 ' SG ' ' HB2' ' A' ' 44' ' ' TYR . 8.4 p -129.34 -5.87 4.81 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 119.759 -0.776 . . . . 0.0 112.653 179.785 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 70.76 20.12 77.24 Favored Glycine 0 C--N 1.333 0.39 0 C-N-CA 120.443 -0.884 . . . . 0.0 112.783 174.581 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.431 ' HB2' ' SG ' ' A' ' 42' ' ' CYS . 77.0 t80 -66.99 118.8 10.95 Favored 'General case' 0 C--O 1.234 0.254 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 177.435 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 35.1 m -133.52 118.79 18.73 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.517 -179.429 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.435 ' O ' ' HB2' ' A' ' 36' ' ' ARG . 9.7 tp10 -119.59 140.66 50.22 Favored 'General case' 0 C--O 1.224 -0.285 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 178.181 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -81.84 152.72 26.76 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.767 0.318 . . . . 0.0 111.511 -175.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 47.0 mmtt -65.59 88.12 0.09 Allowed 'General case' 0 C--O 1.235 0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.174 175.316 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 18.0 ptpt -120.89 146.27 46.78 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.785 178.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -105.09 8.1 34.11 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.117 -176.323 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 3.4 tppp? 65.92 17.78 10.91 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-O 121.634 0.731 . . . . 0.0 109.776 -178.534 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 60.0 pttt -73.17 144.77 46.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.513 -177.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 16.5 m -125.21 130.03 51.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.422 -0.353 . . . . 0.0 110.53 -178.464 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -89.48 117.5 28.44 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.393 178.653 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 21.7 p . . . . . 0 C--O 1.252 1.193 0 CA-C-O 118.934 -0.555 . . . . 0.0 109.993 177.782 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.2 tpt . . . . . 0 N--CA 1.481 1.091 0 N-CA-C 110.166 -0.309 . . . . 0.0 110.166 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 24.6 tt0 -76.51 58.7 1.38 Allowed 'General case' 0 CA--C 1.537 0.46 0 CA-C-O 121.254 0.55 . . . . 0.0 110.543 178.606 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -151.17 155.53 39.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.742 -179.281 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 15.5 ptm180 -62.76 83.82 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.186 0.517 . . . . 0.0 110.643 176.007 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -83.85 -58.02 2.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.427 179.582 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.0 pp -164.8 161.44 20.44 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.485 -179.049 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 93.7 m-85 -120.78 100.02 6.86 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.7 -0.482 . . . . 0.0 109.7 178.499 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -108.09 127.8 54.12 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.173 -175.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 25.3 pt -134.16 126.43 49.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 174.036 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -86.51 111.58 20.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.788 -178.262 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 28.9 m-20 -94.21 -178.91 4.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.23 178.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 94.64 -34.86 4.5 Favored Glycine 0 C--N 1.329 0.189 0 C-N-CA 121.247 -0.501 . . . . 0.0 112.19 178.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 62.0 tttp 67.52 108.31 0.04 OUTLIER 'General case' 0 C--O 1.235 0.32 0 C-N-CA 123.129 0.571 . . . . 0.0 111.058 178.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.423 ' O ' HD12 ' A' ' 14' ' ' LEU . 0.7 OUTLIER -82.13 90.79 6.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.778 0.799 . . . . 0.0 111.009 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 26.9 m -84.38 114.89 25.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.751 -0.659 . . . . 0.0 109.92 177.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.42 HH11 ' HD3' ' A' ' 16' ' ' ARG . 43.7 mmt-85 -125.44 164.72 19.84 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.395 -177.858 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -68.79 -61.27 1.88 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.198 179.021 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 33.2 m80 59.71 168.47 0.07 Allowed 'General case' 0 C--O 1.233 0.223 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.432 -173.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 84.0 mtt-85 -138.28 149.75 45.99 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.258 0.551 . . . . 0.0 111.183 -179.612 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 93.8 m-85 -98.08 138.49 35.31 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 107.855 -1.165 . . . . 0.0 107.855 168.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 42.1 t -61.13 127.98 88.75 Favored Pre-proline 0 C--N 1.324 -0.532 0 C-N-CA 121.195 -0.202 . . . . 0.0 110.658 -174.426 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -37.9 -47.66 2.11 Favored 'Trans proline' 0 C--N 1.354 0.821 0 C-N-CA 123.569 2.846 . . . . 0.0 113.521 -173.672 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 20.9 mmt180 -97.34 -51.43 4.17 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.562 -175.652 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.48 ' HB3' ' HB ' ' A' ' 28' ' ' VAL . 5.3 m -73.15 -1.68 18.53 Favored 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 111.848 0.314 . . . . 0.0 111.848 -176.595 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -33.78 -66.4 0.27 Allowed Glycine 0 C--N 1.34 0.783 0 O-C-N 123.763 0.665 . . . . 0.0 114.678 -171.252 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_exo -56.57 93.14 0.05 OUTLIER 'Trans proline' 0 C--O 1.235 0.372 0 C-N-CA 122.452 2.101 . . . . 0.0 112.214 179.603 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 106.51 -24.35 26.04 Favored Glycine 0 CA--C 1.519 0.316 0 CA-C-N 116.055 -0.52 . . . . 0.0 113.003 178.331 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.48 ' HB ' ' HB3' ' A' ' 24' ' ' CYS . 54.9 t -130.71 102.46 6.65 Favored 'Isoleucine or valine' 0 C--O 1.237 0.447 0 CA-C-O 121.136 0.493 . . . . 0.0 110.821 -178.818 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 41.9 p90 -71.03 -165.79 0.13 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.844 177.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 42.7 tp -118.77 109.75 16.43 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 175.713 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.2 102.98 0.19 Allowed 'General case' 0 C--O 1.236 0.344 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.882 -175.751 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -88.04 111.36 21.44 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.49 179.613 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 80.8 m-70 -106.39 153.13 22.69 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 173.697 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.38 -24.44 44.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.185 0.516 . . . . 0.0 110.655 179.672 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -82.31 -41.42 20.11 Favored 'General case' 0 C--O 1.237 0.441 0 CA-C-N 115.472 -0.785 . . . . 0.0 111.097 179.652 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 26.3 ptt-85 -179.59 177.94 0.69 Allowed 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.252 -174.075 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 57.4 m-85 -96.79 150.87 20.22 Favored 'General case' 0 C--O 1.235 0.31 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 176.363 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 47.1 t -148.75 151.28 34.56 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 110.088 -0.338 . . . . 0.0 110.088 -179.222 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.481 ' SG ' ' HB3' ' A' ' 41' ' ' ARG . 26.1 t -141.32 94.61 2.71 Favored 'General case' 0 C--O 1.237 0.428 0 N-CA-C 111.997 0.369 . . . . 0.0 111.997 177.633 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -68.49 74.42 0.3 Allowed Glycine 0 N--CA 1.45 -0.4 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 172.003 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.481 ' HB3' ' SG ' ' A' ' 39' ' ' CYS . 24.7 tpt180 -173.34 -30.1 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 -176.063 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 22.1 p -150.12 3.82 0.53 Allowed 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.461 174.48 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 77.6 17.39 79.02 Favored Glycine 0 C--N 1.339 0.715 0 C-N-CA 121.23 -0.509 . . . . 0.0 113.533 175.057 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 44.8 t80 -63.62 118.94 8.94 Favored 'General case' 0 C--O 1.236 0.388 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 178.007 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 16.8 m -132.85 131.24 40.76 Favored 'General case' 0 C--N 1.328 -0.359 0 O-C-N 123.685 0.616 . . . . 0.0 109.725 -179.24 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -142.58 122.03 13.21 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 110.035 -0.357 . . . . 0.0 110.035 -178.483 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 71.9 m-85 -69.2 145.85 52.87 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.73 0.3 . . . . 0.0 111.413 -177.194 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 54.5 mmtt -75.5 73.54 2.53 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.152 176.134 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 59.5 tttm -90.04 162.76 15.2 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.355 178.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -69.5 75.29 0.4 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.166 0.507 . . . . 0.0 110.879 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.543 ' HE3' ' HA ' ' A' ' 51' ' ' LYS . 1.9 tpmt? -73.56 -37.61 65.49 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.923 -0.58 . . . . 0.0 109.9 178.755 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 40.3 tptt -127.33 90.2 3.09 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 177.021 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 14.1 m -78.93 -71.75 0.42 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.02 -0.537 . . . . 0.0 111.711 -169.537 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.543 ' NZ ' ' HB3' ' A' ' 54' ' ' LYS . 5.3 ttpm? -102.67 38.29 1.75 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.229 0.538 . . . . 0.0 109.706 -174.427 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 32.7 m . . . . . 0 C--O 1.251 1.157 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.846 -174.695 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.1 tmt? . . . . . 0 N--CA 1.482 1.136 0 N-CA-C 110.16 -0.311 . . . . 0.0 110.16 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 58.2 tt0 -78.21 118.44 20.44 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-O 120.811 0.339 . . . . 0.0 110.507 177.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -94.1 -50.96 5.05 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.192 177.424 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 14.6 ptp180 -95.39 138.16 33.46 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.169 -176.803 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -140.37 -42.31 0.41 Allowed 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 174.063 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 7.7 mp 57.2 96.4 0.02 OUTLIER 'General case' 0 C--O 1.236 0.354 0 CA-C-N 115.574 -0.739 . . . . 0.0 112.459 174.624 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 78.5 m-85 -75.57 102.86 5.44 Favored 'General case' 0 C--O 1.236 0.375 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 169.662 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -82.02 115.64 21.26 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.154 -175.144 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 35.4 pt -73.76 158.51 5.98 Favored 'Isoleucine or valine' 0 C--O 1.236 0.386 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.087 -177.599 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -161.27 96.12 1.06 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.093 -179.608 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -146.86 155.36 42.26 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.941 0.401 . . . . 0.0 110.465 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -160.68 40.58 0.43 Allowed Glycine 0 N--CA 1.45 -0.389 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 177.066 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 22.9 pttp -157.93 168.43 27.16 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.484 -0.358 . . . . 0.0 110.038 -178.262 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.601 HD13 ' HG3' ' A' ' 16' ' ' ARG . 1.1 pp -62.02 149.22 41.54 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.692 177.422 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 34.4 m -99.24 -26.42 3.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.876 -179.386 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.601 ' HG3' HD13 ' A' ' 14' ' ' LEU . 70.7 mtt180 64.94 162.16 0.13 Allowed 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 121.454 0.645 . . . . 0.0 111.517 -178.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 27.0 mtpp -91.61 97.53 11.09 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 175.18 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 15.8 p80 -74.25 85.53 1.92 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.228 -0.896 . . . . 0.0 111.821 -172.688 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 25.3 mtm180 -78.16 102.14 7.4 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 173.565 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.466 ' HB3' ' HA2' ' A' ' 25' ' ' GLY . 49.0 m-85 -85.69 156.64 20.57 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 110.07 -0.345 . . . . 0.0 110.07 177.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.472 ' O ' ' N ' ' A' ' 25' ' ' GLY . 51.7 t -62.55 114.52 12.29 Favored Pre-proline 0 C--O 1.224 -0.276 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 -179.447 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_exo -37.72 -54.92 1.18 Allowed 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 123.319 2.679 . . . . 0.0 113.825 -164.738 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 61.4 mtm180 -82.8 -33.37 27.29 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 112.523 0.564 . . . . 0.0 112.523 -173.352 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.462 ' HB3' ' HB ' ' A' ' 28' ' ' VAL . 9.8 m -90.03 -6.82 55.16 Favored 'General case' 0 N--CA 1.473 0.718 0 O-C-N 122.064 -0.397 . . . . 0.0 111.004 178.838 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 21' ' ' CYS . . . -42.0 -65.32 1.27 Allowed Glycine 0 C--N 1.335 0.474 0 O-C-N 123.787 0.679 . . . . 0.0 114.604 -166.327 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_endo -64.74 79.7 0.18 Allowed 'Trans proline' 0 C--O 1.235 0.368 0 C-N-CA 122.338 2.026 . . . . 0.0 112.052 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 131.23 -19.41 4.87 Favored Glycine 0 C--N 1.33 0.223 0 C-N-CA 121.109 -0.567 . . . . 0.0 113.156 178.474 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.462 ' HB ' ' HB3' ' A' ' 24' ' ' CYS . 40.5 t -133.45 105.44 7.79 Favored 'Isoleucine or valine' 0 C--O 1.237 0.425 0 CA-C-N 117.136 0.468 . . . . 0.0 110.446 178.663 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.418 ' HA ' ' CD1' ' A' ' 20' ' ' PHE . 18.8 p90 -62.75 160.63 13.95 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.372 178.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 47.4 tp -104.56 102.82 12.43 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.517 -0.92 . . . . 0.0 108.517 174.064 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.419 ' HB3' ' OG ' ' A' ' 38' ' ' SER . . . -60.9 98.31 0.07 Allowed 'General case' 0 C--O 1.237 0.41 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.027 -175.608 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -77.96 116.48 18.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.726 179.1 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 74.1 m-70 -110.51 154.32 23.84 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 108.427 -0.953 . . . . 0.0 108.427 172.435 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.441 ' O ' ' HG3' ' A' ' 48' ' ' LYS . . . -58.14 -26.27 62.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.081 0.467 . . . . 0.0 110.897 -177.854 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -84.88 -39.23 18.49 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.974 179.738 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.453 ' HB3' ' HA ' ' A' ' 47' ' ' PHE . 36.5 ptt180 -174.03 168.96 4.1 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 121.062 0.458 . . . . 0.0 111.407 -173.16 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 -97.74 144.43 27.37 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 108.739 -0.837 . . . . 0.0 108.739 177.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.419 ' OG ' ' HB3' ' A' ' 31' ' ' ALA . 61.1 p -135.94 147.55 48.14 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.913 0.387 . . . . 0.0 111.279 -175.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 18.4 t -133.81 86.13 2.26 Favored 'General case' 0 C--O 1.239 0.517 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.684 175.604 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -65.02 77.2 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.386 0 N-CA-C 111.462 -0.655 . . . . 0.0 111.462 174.59 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 3.8 tpt180 -168.98 -60.83 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 -177.477 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 20.5 p -108.02 -12.05 15.21 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.105 174.638 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 85.76 26.27 35.6 Favored Glycine 0 C--N 1.334 0.438 0 C-N-CA 120.93 -0.652 . . . . 0.0 112.387 179.484 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 78.6 t80 -76.5 112.04 12.61 Favored 'General case' 0 C--O 1.236 0.385 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 175.736 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 30.0 m -130.29 125.54 35.01 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.871 -178.344 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -128.42 119.18 24.46 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.327 -175.132 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.453 ' HA ' ' HB3' ' A' ' 36' ' ' ARG . 75.9 m-85 -64.73 146.98 54.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.811 0.339 . . . . 0.0 110.82 178.287 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.441 ' HG3' ' O ' ' A' ' 34' ' ' ALA . 48.5 mmtt -58.86 107.53 0.54 Allowed 'General case' 0 C--O 1.234 0.251 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.395 -179.575 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 24.3 pttm -124.9 118.86 27.23 Favored 'General case' 0 C--O 1.235 0.305 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 172.238 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -84.49 101.09 11.79 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.495 -178.062 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 33.1 ttmt -73.69 96.0 2.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.08 0.467 . . . . 0.0 110.872 -179.546 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 56.0 mtpt -84.63 -19.01 33.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.683 -0.69 . . . . 0.0 109.944 177.471 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 19.1 m -69.51 98.08 1.09 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.948 179.425 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 21.8 pttp -103.88 -36.08 7.93 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.957 0.408 . . . . 0.0 110.435 177.693 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 16.0 m . . . . . 0 C--O 1.253 1.287 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.506 -174.998 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.407 ' SD ' ' C ' ' A' ' 1' ' ' MET . 0.8 OUTLIER . . . . . 0 N--CA 1.479 1.0 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -83.25 130.44 35.08 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.47 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -82.72 -177.91 6.9 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.975 0.416 . . . . 0.0 110.676 179.358 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.418 HH11 ' HD3' ' A' ' 4' ' ' ARG . 10.0 ptp180 -78.25 66.04 3.74 Favored 'General case' 0 CA--C 1.536 0.404 0 CA-C-O 121.38 0.61 . . . . 0.0 111.197 -174.836 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -73.8 -86.73 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.882 -178.749 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 97.2 mt -149.64 -176.14 5.29 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.208 -173.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 26.6 p90 -140.62 124.2 16.99 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.378 175.266 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -75.39 142.43 43.09 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 121.043 0.449 . . . . 0.0 111.087 -175.584 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 26.5 pt -127.04 -177.85 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.173 -179.225 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -95.79 95.99 8.66 Favored 'General case' 0 CA--C 1.533 0.293 0 N-CA-C 111.75 0.278 . . . . 0.0 111.75 -175.472 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -111.22 -63.31 1.42 Allowed 'General case' 0 N--CA 1.467 0.424 0 CA-C-O 121.206 0.527 . . . . 0.0 109.599 173.534 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -93.69 -13.6 54.82 Favored Glycine 0 C--N 1.333 0.408 0 CA-C-N 115.549 -0.751 . . . . 0.0 112.342 -178.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 62.5 tttp -68.98 95.46 0.71 Allowed 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 176.315 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 95.9 mt 62.82 -82.03 0.02 OUTLIER 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.202 -172.531 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 17.0 m -157.47 171.81 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 N-CA-C 108.922 -0.769 . . . . 0.0 108.922 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -72.59 71.79 0.99 Allowed 'General case' 0 C--O 1.235 0.297 0 CA-C-O 121.708 0.766 . . . . 0.0 109.053 170.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 12.6 tmtt? -76.62 85.51 3.29 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 114.846 -1.07 . . . . 0.0 109.88 -174.447 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 46.5 m-70 -150.47 152.12 33.77 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.32 174.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -137.6 170.52 15.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.741 0.305 . . . . 0.0 110.226 179.044 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 85.4 m-85 -96.49 166.17 11.82 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.092 0.473 . . . . 0.0 111.093 -176.585 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.432 ' O ' ' N ' ' A' ' 25' ' ' GLY . 43.8 t -77.85 121.36 84.04 Favored Pre-proline 0 C--O 1.222 -0.384 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 175.146 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_exo -40.51 -50.67 3.7 Favored 'Trans proline' 0 C--N 1.347 0.488 0 C-N-CA 122.916 2.411 . . . . 0.0 113.434 -171.426 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 26.3 mmt180 -79.86 -55.54 4.91 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.169 -175.207 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.447 ' CB ' ' HB ' ' A' ' 28' ' ' VAL . 4.1 m -77.66 -1.67 32.18 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.7 -176.072 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 21' ' ' CYS . . . -41.4 -58.69 2.85 Favored Glycine 0 C--N 1.334 0.472 0 O-C-N 123.583 0.552 . . . . 0.0 114.167 -170.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_endo -66.84 80.14 0.36 Allowed 'Trans proline' 0 CA--C 1.532 0.414 0 C-N-CA 122.24 1.96 . . . . 0.0 111.495 176.534 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 131.1 -24.99 4.17 Favored Glycine 0 C--N 1.334 0.47 0 CA-C-N 115.877 -0.602 . . . . 0.0 112.822 177.332 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.447 ' HB ' ' CB ' ' A' ' 24' ' ' CYS . 93.3 t -135.29 121.75 33.27 Favored 'Isoleucine or valine' 0 C--O 1.236 0.358 0 CA-C-O 120.879 0.371 . . . . 0.0 110.665 -178.79 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 50.7 p90 -74.49 -166.92 0.48 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.945 178.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 32.4 tp -133.91 107.86 8.08 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 176.336 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.85 99.74 0.36 Allowed 'General case' 0 C--O 1.234 0.237 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.152 -174.124 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -85.04 91.81 8.19 Favored 'General case' 0 C--O 1.237 0.414 0 CA-C-O 121.263 0.554 . . . . 0.0 110.148 178.761 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 -82.99 159.82 22.14 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.573 -0.739 . . . . 0.0 109.227 176.283 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.63 -18.4 53.13 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-O 120.791 0.329 . . . . 0.0 111.184 -179.204 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -86.65 -41.06 14.52 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.805 177.389 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.558 ' HA ' ' HG2' ' A' ' 48' ' ' LYS . 13.9 ptt180 178.32 -175.32 0.18 Allowed 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.424 -174.21 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.547 ' HB2' ' HB3' ' A' ' 46' ' ' GLU . 66.6 m-85 -95.59 144.89 25.65 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 177.187 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 29.3 t -145.24 146.17 31.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.023 0.44 . . . . 0.0 110.547 178.142 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 34.6 t -130.02 92.18 3.26 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.154 179.118 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -66.24 72.38 0.14 Allowed Glycine 0 CA--C 1.519 0.296 0 O-C-N 123.706 0.629 . . . . 0.0 111.574 174.605 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 7.4 tpt180 -169.55 -41.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 -175.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.495 ' SG ' ' HB2' ' A' ' 44' ' ' TYR . 17.7 p -137.31 2.01 2.47 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.975 177.73 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 77.82 16.01 80.53 Favored Glycine 0 C--N 1.336 0.547 0 C-N-CA 121.006 -0.616 . . . . 0.0 112.711 177.387 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.495 ' HB2' ' SG ' ' A' ' 42' ' ' CYS . 51.1 t80 -65.58 105.27 1.17 Allowed 'General case' 0 C--O 1.236 0.347 0 N-CA-C 109.754 -0.461 . . . . 0.0 109.754 178.688 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 88.4 m -119.78 133.88 55.44 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.006 179.289 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.547 ' HB3' ' HB2' ' A' ' 37' ' ' TYR . 17.1 tp10 -133.3 112.55 11.75 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.924 -0.398 . . . . 0.0 109.924 -178.676 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 49.3 m-85 -54.57 148.66 11.95 Favored 'General case' 0 C--O 1.236 0.374 0 C-N-CA 122.54 0.336 . . . . 0.0 111.873 -177.29 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.558 ' HG2' ' HA ' ' A' ' 36' ' ' ARG . 33.9 mmtt -68.13 78.38 0.24 Allowed 'General case' 0 C--O 1.236 0.363 0 CA-C-O 121.202 0.525 . . . . 0.0 110.703 174.827 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 62.2 tttp -112.8 -14.04 13.13 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.444 -0.798 . . . . 0.0 108.901 171.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.74 90.91 0.06 Allowed 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 114.944 -1.025 . . . . 0.0 110.796 176.636 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.439 ' HE3' ' HB2' ' A' ' 51' ' ' LYS . 35.7 ttmt -119.12 -50.07 2.38 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 176.462 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -151.3 79.5 1.29 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.25 -0.887 . . . . 0.0 109.422 176.456 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 6.1 m -96.03 -54.73 3.21 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.798 178.314 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -151.92 106.66 3.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.97 -179.696 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 38.1 t . . . . . 0 C--O 1.25 1.123 0 CA-C-O 118.359 -0.829 . . . . 0.0 109.612 179.126 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 72.1 mtm . . . . . 0 N--CA 1.481 1.096 0 CA-C-O 120.878 0.371 . . . . 0.0 110.042 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -147.8 164.6 33.12 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.262 179.242 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 24.7 ttmm 68.77 100.64 0.06 Allowed 'General case' 0 C--O 1.235 0.322 0 O-C-N 124.02 0.825 . . . . 0.0 111.372 178.158 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.403 HH11 ' HD3' ' A' ' 4' ' ' ARG . 12.5 ttm180 -74.69 132.09 41.4 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 173.557 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -80.19 63.39 4.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.156 0.503 . . . . 0.0 111.207 -174.137 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 93.5 mt -80.25 -39.59 28.69 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.137 176.003 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 43.0 p90 -164.87 109.01 0.9 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.369 0.604 . . . . 0.0 110.602 176.435 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.416 ' H ' ' HG2' ' A' ' 8' ' ' GLU . 7.6 pt-20 -78.39 156.44 29.47 Favored 'General case' 0 C--O 1.238 0.485 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.426 176.819 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 26.7 pt -77.57 159.73 4.89 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-O 120.958 0.409 . . . . 0.0 111.312 -175.52 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.686 ' HA ' ' HG3' ' A' ' 49' ' ' LYS . . . -109.66 -29.9 8.14 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.156 176.041 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 30.2 t70 50.24 -93.12 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.162 -179.686 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 79.06 152.41 6.65 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 121.342 -0.456 . . . . 0.0 113.399 177.486 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.757 ' HG2' ' H ' ' A' ' 14' ' ' LEU . 74.8 tttt 67.56 -173.48 0.19 Allowed 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 123.079 0.552 . . . . 0.0 110.462 176.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.757 ' H ' ' HG2' ' A' ' 13' ' ' LYS . 3.6 mm? 75.25 130.47 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.375 0 C-N-CA 123.574 0.75 . . . . 0.0 110.592 -179.316 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 39.8 t -84.31 -29.3 7.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.876 -174.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 69.5 mtm180 -71.39 83.46 0.79 Allowed 'General case' 0 C--O 1.236 0.359 0 CA-C-O 121.072 0.463 . . . . 0.0 110.3 179.502 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 38.4 ttmt -85.34 63.92 8.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 122.021 0.915 . . . . 0.0 110.051 179.67 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 8.6 p80 -169.82 89.84 0.18 Allowed 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 107.337 -1.357 . . . . 0.0 107.337 173.623 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 28.1 mmt85 -89.61 163.71 15.05 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.287 -0.87 . . . . 0.0 111.65 -168.098 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 -107.22 146.76 31.02 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.207 -0.906 . . . . 0.0 108.982 174.626 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.465 ' O ' ' N ' ' A' ' 25' ' ' GLY . 45.0 t -72.82 125.5 91.13 Favored Pre-proline 0 C--N 1.322 -0.613 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 179.627 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 79.9 Cg_exo -35.53 -62.06 0.24 Allowed 'Trans proline' 0 C--N 1.349 0.592 0 C-N-CA 123.287 2.658 . . . . 0.0 113.75 -167.179 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 51.7 mtm180 -89.46 -27.85 20.08 Favored 'General case' 0 CA--C 1.536 0.421 0 N-CA-C 112.593 0.59 . . . . 0.0 112.593 -171.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.549 ' HB3' ' HB ' ' A' ' 28' ' ' VAL . 10.1 m -87.47 -8.72 56.11 Favored 'General case' 0 N--CA 1.473 0.719 0 O-C-N 122.097 -0.377 . . . . 0.0 110.543 178.412 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' A' ' 21' ' ' CYS . . . -41.12 -63.45 1.53 Allowed Glycine 0 C--N 1.336 0.555 0 O-C-N 123.958 0.786 . . . . 0.0 114.169 -167.766 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -58.62 90.15 0.06 OUTLIER 'Trans proline' 0 CA--C 1.531 0.337 0 C-N-CA 122.188 1.925 . . . . 0.0 111.486 177.005 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 114.21 -24.75 11.22 Favored Glycine 0 N--CA 1.452 -0.292 0 CA-C-N 115.829 -0.623 . . . . 0.0 112.873 177.33 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.549 ' HB ' ' HB3' ' A' ' 24' ' ' CYS . 21.2 t -133.39 103.27 5.42 Favored 'Isoleucine or valine' 0 C--O 1.236 0.387 0 CA-C-O 120.845 0.355 . . . . 0.0 110.257 -178.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 35.4 p90 -70.43 -176.21 1.18 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.267 -178.686 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.515 ' HG ' ' HB3' ' A' ' 37' ' ' TYR . 37.6 tp -113.4 105.32 13.24 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 108.928 -0.767 . . . . 0.0 108.928 175.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.78 104.08 0.26 Allowed 'General case' 0 C--O 1.234 0.257 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.408 -174.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.458 ' HG3' ' HE2' ' A' ' 48' ' ' LYS . 37.0 tt0 -79.24 133.24 36.67 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.396 179.645 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 92.9 m-70 -135.01 158.0 45.48 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 175.678 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -53.9 -36.9 63.2 Favored 'General case' 0 C--N 1.329 -0.299 0 O-C-N 123.27 0.356 . . . . 0.0 111.82 -175.744 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -82.07 -37.08 26.92 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.187 -178.587 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.659 ' HB2' ' O ' ' A' ' 46' ' ' GLU . 4.3 ptp180 -175.83 174.22 2.2 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.99 0.424 . . . . 0.0 111.588 -169.102 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.515 ' HB3' ' HG ' ' A' ' 30' ' ' LEU . 40.6 m-85 -98.13 151.49 20.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.089 175.478 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 19.5 t -141.74 155.95 45.61 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.851 0.358 . . . . 0.0 110.616 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.714 ' SG ' ' O ' ' A' ' 40' ' ' GLY . 40.6 t -147.0 123.88 11.3 Favored 'General case' 0 CA--C 1.516 -0.355 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.43 178.706 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.714 ' O ' ' SG ' ' A' ' 39' ' ' CYS . . . -68.59 -170.95 6.41 Favored Glycine 0 N--CA 1.447 -0.604 0 N-CA-C 109.006 -1.638 . . . . 0.0 109.006 161.666 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 7.0 tpt180 75.52 -52.29 0.64 Allowed 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 118.078 0.939 . . . . 0.0 110.682 175.387 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.555 ' SG ' ' HB2' ' A' ' 44' ' ' TYR . 14.6 p -126.5 -14.32 5.83 Favored 'General case' 0 N--CA 1.465 0.315 0 C-N-CA 120.522 -0.471 . . . . 0.0 111.996 178.093 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 84.16 14.15 72.51 Favored Glycine 0 C--N 1.335 0.475 0 C-N-CA 120.603 -0.808 . . . . 0.0 112.539 178.07 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.555 ' HB2' ' SG ' ' A' ' 42' ' ' CYS . 53.7 t80 -61.88 109.94 1.4 Allowed 'General case' 0 C--O 1.234 0.255 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 -179.338 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 29.6 m -122.65 106.96 11.43 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.647 177.571 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.659 ' O ' ' HB2' ' A' ' 36' ' ' ARG . 13.3 tp10 -107.35 163.9 12.65 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 -178.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 72.6 m-85 -100.99 152.19 20.87 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.102 0.477 . . . . 0.0 112.12 -173.662 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.458 ' HE2' ' HG3' ' A' ' 32' ' ' GLU . 14.2 mmtt -80.19 155.65 27.3 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.928 -178.21 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.686 ' HG3' ' HA ' ' A' ' 10' ' ' ALA . 74.1 mmtt -138.19 127.14 24.01 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 115.12 -0.946 . . . . 0.0 109.1 173.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -82.34 44.4 0.87 Allowed 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 121.011 0.434 . . . . 0.0 111.507 -175.661 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 17.1 tppt? -72.63 119.03 16.28 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.66 178.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 26.2 mtpp -91.88 103.95 16.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.798 175.746 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.428 ' HB3' ' HA ' ' A' ' 13' ' ' LYS . 30.9 p -68.48 100.78 1.14 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.319 179.444 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.81 165.44 26.46 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.492 -178.644 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 20.7 t . . . . . 0 C--O 1.249 1.057 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 178.186 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.6 mtt . . . . . 0 N--CA 1.483 1.218 0 CA-C-O 120.735 0.302 . . . . 0.0 110.569 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 50.2 mt-30 -83.28 131.34 35.09 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-O 120.885 0.374 . . . . 0.0 111.243 -177.496 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -97.74 105.36 17.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.312 172.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 15.5 ttm180 -74.38 88.11 2.06 Favored 'General case' 0 C--O 1.234 0.285 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 178.538 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -78.53 -69.66 0.55 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.028 -0.533 . . . . 0.0 109.881 178.047 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.568 ' HG ' ' H ' ' A' ' 7' ' ' TYR . 18.6 tp 60.29 179.46 0.1 Allowed 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.711 175.363 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.568 ' H ' ' HG ' ' A' ' 6' ' ' LEU . 43.8 m-85 -106.91 -47.82 3.63 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 177.822 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 64.88 174.74 0.2 Allowed 'General case' 0 C--O 1.236 0.384 0 CA-C-N 115.216 -0.902 . . . . 0.0 110.418 -175.614 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 35.7 pt -113.71 143.62 23.02 Favored 'Isoleucine or valine' 0 C--O 1.235 0.328 0 CA-C-O 121.157 0.503 . . . . 0.0 111.522 -177.105 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -130.73 -42.25 1.14 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.319 -0.855 . . . . 0.0 109.365 175.603 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -110.05 153.6 24.41 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.019 177.099 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -174.96 115.82 0.56 Allowed Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 121.095 -0.574 . . . . 0.0 112.156 177.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 13.6 mptt -84.7 76.36 10.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.232 0.539 . . . . 0.0 110.201 176.116 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -97.39 122.3 40.27 Favored 'General case' 0 C--O 1.238 0.468 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.613 175.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.724 HG12 ' HG3' ' A' ' 16' ' ' ARG . 52.9 t -63.68 132.33 29.49 Favored 'Isoleucine or valine' 0 C--O 1.236 0.358 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.937 179.809 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.724 ' HG3' HG12 ' A' ' 15' ' ' VAL . 49.2 mtt85 67.57 113.62 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.423 0 O-C-N 123.715 0.634 . . . . 0.0 110.625 -179.602 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 57.5 mmtt -72.18 -67.06 0.57 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.196 -179.201 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 35.4 m-70 54.6 96.34 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.412 0 CA-C-O 121.164 0.507 . . . . 0.0 110.347 -176.507 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.473 ' HA ' ' NE ' ' A' ' 19' ' ' ARG . 5.1 mmp_? -95.11 146.88 23.98 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.906 -175.513 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -105.87 148.05 28.02 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.762 -0.653 . . . . 0.0 109.34 175.006 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.438 ' O ' ' N ' ' A' ' 25' ' ' GLY . 45.3 t -84.42 128.98 59.49 Favored Pre-proline 0 C--N 1.323 -0.565 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.038 -177.597 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_exo -35.8 -58.22 0.47 Allowed 'Trans proline' 0 C--N 1.351 0.685 0 C-N-CA 123.469 2.779 . . . . 0.0 113.759 -172.091 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 10.4 mmm180 -88.73 -35.9 16.45 Favored 'General case' 0 CA--C 1.533 0.315 0 N-CA-C 112.146 0.425 . . . . 0.0 112.146 -173.581 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.587 ' HB3' ' HB ' ' A' ' 28' ' ' VAL . 4.7 m -89.39 -2.51 58.44 Favored 'General case' 0 N--CA 1.473 0.725 0 N-CA-C 111.412 0.153 . . . . 0.0 111.412 -176.174 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 21' ' ' CYS . . . -40.17 -63.73 1.26 Allowed Glycine 0 C--N 1.336 0.545 0 O-C-N 123.688 0.618 . . . . 0.0 113.976 -170.297 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_exo -57.53 93.69 0.06 OUTLIER 'Trans proline' 0 CA--C 1.532 0.412 0 C-N-CA 122.297 1.998 . . . . 0.0 111.941 176.615 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 106.63 -24.46 25.57 Favored Glycine 0 CA--C 1.519 0.337 0 C-N-CA 121.352 -0.451 . . . . 0.0 113.601 174.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.587 ' HB ' ' HB3' ' A' ' 24' ' ' CYS . 21.3 t -127.49 103.94 11.44 Favored 'Isoleucine or valine' 0 C--O 1.238 0.487 0 CA-C-N 117.383 0.591 . . . . 0.0 110.313 -179.747 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 36.7 p90 -70.38 -178.76 1.81 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.639 -0.71 . . . . 0.0 111.218 -178.376 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.588 ' HG ' ' HB3' ' A' ' 37' ' ' TYR . 41.8 tp -112.95 110.21 20.13 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.348 -0.982 . . . . 0.0 108.348 174.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.489 ' O ' ' HA ' ' A' ' 37' ' ' TYR . . . -55.19 97.39 0.02 OUTLIER 'General case' 0 C--O 1.234 0.245 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.75 -173.757 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -80.59 110.33 15.97 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.258 179.034 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 -119.45 157.25 28.63 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.33 178.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -53.39 -29.54 35.25 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 115.889 -0.596 . . . . 0.0 112.126 -175.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -89.24 -38.92 13.88 Favored 'General case' 0 C--O 1.238 0.449 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.272 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 36.9 ptt180 -174.91 175.18 2.4 Favored 'General case' 0 C--O 1.231 0.092 0 CA-C-O 121.37 0.605 . . . . 0.0 111.8 -172.206 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.588 ' HB3' ' HG ' ' A' ' 30' ' ' LEU . 41.0 m-85 -98.31 154.66 17.66 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.034 -0.984 . . . . 0.0 109.461 173.806 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 20.5 p -153.15 159.71 42.76 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 110.395 -0.224 . . . . 0.0 110.395 177.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.661 ' SG ' ' O ' ' A' ' 40' ' ' GLY . 40.4 t -143.49 125.21 15.01 Favored 'General case' 0 CA--C 1.514 -0.44 0 N-CA-C 111.766 0.284 . . . . 0.0 111.766 -178.334 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.661 ' O ' ' SG ' ' A' ' 39' ' ' CYS . . . -70.3 -177.38 21.54 Favored Glycine 0 N--CA 1.445 -0.75 0 N-CA-C 109.961 -1.256 . . . . 0.0 109.961 163.032 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 27.4 ttt-85 74.69 -50.71 0.67 Allowed 'General case' 0 C--N 1.321 -0.648 0 C-N-CA 123.288 0.635 . . . . 0.0 111.087 177.016 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.45 ' SG ' ' HB2' ' A' ' 44' ' ' TYR . 10.5 p -125.18 -10.81 7.03 Favored 'General case' 0 C--N 1.344 0.34 0 C-N-CA 119.894 -0.723 . . . . 0.0 112.263 -179.296 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 77.43 18.42 77.93 Favored Glycine 0 C--N 1.336 0.578 0 C-N-CA 120.649 -0.786 . . . . 0.0 113.208 176.579 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.45 ' HB2' ' SG ' ' A' ' 42' ' ' CYS . 62.4 t80 -66.28 121.69 15.8 Favored 'General case' 0 C--O 1.235 0.334 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 178.849 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 87.2 m -134.18 131.88 39.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.55 -178.46 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -139.96 143.05 36.34 Favored 'General case' 0 C--O 1.222 -0.379 0 N-CA-C 108.693 -0.854 . . . . 0.0 108.693 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 71.1 m-85 -76.24 156.37 33.6 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.637 0.256 . . . . 0.0 111.326 -176.736 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 5.9 mmtt -66.14 106.2 1.58 Allowed 'General case' 0 C--O 1.233 0.228 0 N-CA-C 109.887 -0.412 . . . . 0.0 109.887 177.612 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -95.28 111.23 23.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.746 -175.505 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . 68.87 127.78 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.328 0 N-CA-C 113.598 0.962 . . . . 0.0 113.598 169.349 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.441 ' HB3' ' HE2' ' A' ' 51' ' ' LYS . 40.7 mtpt -109.69 -178.2 3.48 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 114.979 -1.009 . . . . 0.0 108.961 169.04 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.35 138.01 24.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.921 0.391 . . . . 0.0 111.454 178.114 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 50.5 m 63.31 -178.81 0.15 Allowed 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 115.359 -0.837 . . . . 0.0 112.3 177.227 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -103.44 21.8 15.38 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.072 178.638 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 50.0 m . . . . . 0 C--O 1.252 1.198 0 CA-C-O 118.492 -0.766 . . . . 0.0 110.015 -179.512 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.2 mtt . . . . . 0 N--CA 1.482 1.138 0 N-CA-C 110.351 -0.24 . . . . 0.0 110.351 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 27.6 pt20 -73.04 103.94 3.98 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-O 121.337 0.589 . . . . 0.0 110.165 178.287 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -105.41 -42.94 5.1 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.203 -175.498 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 95.8 mtt180 -137.29 171.27 14.74 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-N 116.273 -0.421 . . . . 0.0 109.972 -179.068 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -155.02 -60.27 0.11 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.924 0.393 . . . . 0.0 110.02 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 88.6 mt -65.1 159.45 23.33 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.405 -176.403 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 34.0 p90 -145.66 144.57 30.49 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.556 -0.747 . . . . 0.0 109.829 -179.654 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 51.9 mm-40 -94.26 113.5 25.43 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.229 -177.375 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 37.4 pt -132.25 -22.66 0.91 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.366 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.22 175.343 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -74.97 116.81 16.12 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-O 120.774 0.321 . . . . 0.0 111.701 -175.414 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -168.56 -67.18 0.02 OUTLIER 'General case' 0 C--O 1.236 0.371 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 176.493 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 68.36 -92.52 0.27 Allowed Glycine 0 N--CA 1.451 -0.32 0 CA-C-N 115.475 -0.784 . . . . 0.0 114.005 172.64 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -56.11 117.82 4.1 Favored 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 122.872 0.469 . . . . 0.0 111.707 -173.693 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 98.9 mt -101.89 114.77 29.15 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.053 -0.522 . . . . 0.0 109.901 176.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.424 ' O ' ' HD3' ' A' ' 19' ' ' ARG . 56.6 t -86.6 114.69 26.37 Favored 'Isoleucine or valine' 0 C--O 1.236 0.377 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.42 -178.319 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.431 ' O ' ' HG2' ' A' ' 19' ' ' ARG . 6.3 mpt_? -90.81 -89.99 0.16 Allowed 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.034 -179.724 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 56.7 mttp -94.25 75.14 3.98 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 121.116 0.484 . . . . 0.0 110.59 -175.8 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 64.7 t60 -172.96 28.97 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.078 -0.965 . . . . 0.0 108.491 177.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.431 ' HG2' ' O ' ' A' ' 16' ' ' ARG . 10.0 mmm180 -87.17 122.29 30.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.17 -0.923 . . . . 0.0 110.085 -175.825 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.518 ' HA ' ' HA ' ' A' ' 29' ' ' PHE . 42.1 m-85 -100.32 135.13 42.23 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 109.619 -0.511 . . . . 0.0 109.619 175.485 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 46.8 t -51.4 129.7 33.4 Favored Pre-proline 0 C--N 1.331 -0.234 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.843 -175.329 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -36.06 -54.07 0.88 Allowed 'Trans proline' 0 C--N 1.352 0.724 0 C-N-CA 123.663 2.909 . . . . 0.0 113.568 -174.147 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 14.1 mtm180 -97.83 -40.65 8.42 Favored 'General case' 0 CA--C 1.534 0.353 0 N-CA-C 112.116 0.413 . . . . 0.0 112.116 -175.225 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.605 ' HB3' ' HB ' ' A' ' 28' ' ' VAL . 19.4 m -75.94 -2.0 28.28 Favored 'General case' 0 N--CA 1.478 0.934 0 O-C-N 122.303 -0.248 . . . . 0.0 111.327 -179.555 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -37.78 -56.14 1.71 Allowed Glycine 0 C--N 1.336 0.583 0 O-C-N 123.815 0.697 . . . . 0.0 113.507 -173.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_exo -61.69 83.68 0.09 OUTLIER 'Trans proline' 0 C--O 1.236 0.41 0 C-N-CA 122.28 1.987 . . . . 0.0 111.767 174.018 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 118.32 -24.32 8.72 Favored Glycine 0 CA--C 1.521 0.46 0 CA-C-N 116.195 -0.457 . . . . 0.0 113.484 175.08 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.605 ' HB ' ' HB3' ' A' ' 24' ' ' CYS . 46.7 t -134.99 122.42 37.24 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.423 0 CA-C-N 117.409 0.605 . . . . 0.0 111.373 -178.228 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.518 ' HA ' ' HA ' ' A' ' 20' ' ' PHE . 38.5 p90 -78.91 -164.6 0.62 Allowed 'General case' 0 CA--C 1.535 0.401 0 CA-C-N 115.383 -0.826 . . . . 0.0 111.376 179.834 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 38.5 tp -129.17 109.22 10.98 Favored 'General case' 0 C--O 1.234 0.24 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 173.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -73.14 111.56 8.37 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.419 -174.484 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -77.92 131.79 37.62 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-O 120.982 0.42 . . . . 0.0 109.913 174.488 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 76.5 m-70 -125.23 158.57 33.73 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 173.461 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -53.39 -32.66 50.51 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 111.977 0.362 . . . . 0.0 111.977 -175.263 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -95.13 -26.18 16.12 Favored 'General case' 0 C--O 1.236 0.389 0 N-CA-C 112.121 0.415 . . . . 0.0 112.121 -175.546 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.556 ' NH1' HG21 ' A' ' 45' ' ' THR . 25.7 ptt180 -175.51 166.62 3.27 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 121.155 0.502 . . . . 0.0 111.85 -172.08 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.405 ' HE1' ' H ' ' A' ' 49' ' ' LYS . 19.7 m-85 -97.49 146.26 25.41 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 108.075 -1.083 . . . . 0.0 108.075 172.813 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 21.8 t -145.99 162.07 38.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.225 0.536 . . . . 0.0 111.514 -179.006 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.471 ' SG ' ' HB2' ' A' ' 41' ' ' ARG . 27.6 t -137.84 106.67 5.93 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 115.42 -0.809 . . . . 0.0 111.045 -178.767 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -75.07 62.71 2.52 Favored Glycine 0 CA--C 1.52 0.365 0 O-C-N 123.42 0.45 . . . . 0.0 112.156 176.406 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.511 ' HG3' HG21 ' A' ' 28' ' ' VAL . 20.7 mmt180 -159.01 -72.47 0.08 Allowed 'General case' 0 N--CA 1.464 0.235 0 C-N-CA 123.376 0.671 . . . . 0.0 110.023 -178.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.493 ' SG ' ' HB2' ' A' ' 44' ' ' TYR . 31.1 p -96.1 1.15 52.26 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 120.843 0.354 . . . . 0.0 110.793 179.669 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 70.37 28.04 71.86 Favored Glycine 0 C--N 1.334 0.438 0 C-N-CA 120.957 -0.639 . . . . 0.0 111.734 179.215 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.493 ' HB2' ' SG ' ' A' ' 42' ' ' CYS . 61.5 t80 -77.82 108.51 11.1 Favored 'General case' 0 N--CA 1.453 -0.296 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 176.587 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.556 HG21 ' NH1' ' A' ' 36' ' ' ARG . 52.0 m -130.32 124.41 32.24 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.791 -0.641 . . . . 0.0 109.45 179.075 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -129.74 130.79 45.87 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.102 -0.499 . . . . 0.0 109.811 -175.739 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 59.2 m-85 -57.96 147.04 30.34 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 120.73 0.3 . . . . 0.0 110.829 -178.714 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 5.4 tmtt? -57.77 100.99 0.06 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.872 -0.603 . . . . 0.0 111.016 -174.316 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.405 ' H ' ' HE1' ' A' ' 37' ' ' TYR . 88.1 tttt -64.15 83.86 0.03 OUTLIER 'General case' 0 C--O 1.235 0.308 0 N-CA-C 109.168 -0.678 . . . . 0.0 109.168 174.467 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -75.5 90.98 2.75 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.54 -0.755 . . . . 0.0 111.686 -172.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.436 ' HA ' ' HD3' ' A' ' 51' ' ' LYS . 64.4 mmtt -92.99 111.43 23.06 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 171.634 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 27.5 tptp -54.62 -38.04 66.34 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.153 -175.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 15.8 m 64.48 32.3 11.87 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.21 178.263 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt 65.23 -162.21 0.27 Allowed 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.467 177.702 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 29.5 t . . . . . 0 C--O 1.253 1.25 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 176.558 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 62.8 mtt . . . . . 0 N--CA 1.481 1.085 0 N-CA-C 110.184 -0.302 . . . . 0.0 110.184 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -59.77 149.31 31.37 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 121.108 0.48 . . . . 0.0 111.984 -174.765 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.41 ' HG2' ' HB3' ' A' ' 5' ' ' GLU . 55.3 tttp -68.28 103.96 1.72 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.229 -0.896 . . . . 0.0 111.264 -176.207 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 50.9 mtt180 -81.01 67.02 6.76 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.794 0.807 . . . . 0.0 109.395 175.428 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.485 ' HG3' ' O ' ' A' ' 5' ' ' GLU . 8.8 tp10 -156.56 17.85 0.33 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 114.477 -1.238 . . . . 0.0 108.781 -179.357 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.439 ' HB2' ' O ' ' A' ' 5' ' ' GLU . 7.7 mp 67.33 168.23 0.25 Allowed 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 115.483 -0.78 . . . . 0.0 110.573 -174.186 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 80.7 m-85 -108.95 137.32 47.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.587 -178.591 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 43.7 mm-40 -91.54 106.63 18.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.091 176.371 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 33.7 pt -71.14 -23.42 23.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.111 -177.755 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -80.89 123.76 28.55 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.717 -178.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -61.68 113.13 2.56 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.219 176.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -72.2 -87.88 0.15 Allowed Glycine 0 N--CA 1.45 -0.392 0 N-CA-C 111.446 -0.661 . . . . 0.0 111.446 177.407 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm 59.95 174.88 0.09 Allowed 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 121.224 0.535 . . . . 0.0 111.35 179.054 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 93.2 mt -119.14 98.71 6.3 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 177.338 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 85.4 t -82.41 114.68 23.67 Favored 'Isoleucine or valine' 0 C--O 1.235 0.312 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.827 -176.723 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 96.7 mtt180 -102.1 -30.15 11.33 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.071 179.676 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -67.39 131.19 45.21 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.661 -177.726 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 80.5 m-70 -68.63 106.37 2.58 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.749 -178.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 33.1 mtp85 -60.69 153.28 24.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.426 -0.806 . . . . 0.0 112.367 -173.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -106.75 -179.79 4.04 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 172.568 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 43.7 t -91.97 123.48 62.87 Favored Pre-proline 0 C--N 1.326 -0.444 0 C-N-CA 120.515 -0.474 . . . . 0.0 110.214 177.81 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 74.8 Cg_exo -43.54 -49.04 8.08 Favored 'Trans proline' 0 C--N 1.349 0.591 0 C-N-CA 123.186 2.591 . . . . 0.0 113.481 -173.173 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 23.1 mtp180 -86.72 -57.21 3.07 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.317 -174.747 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 3.3 m -73.02 -3.98 29.52 Favored 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 111.862 0.319 . . . . 0.0 111.862 -175.666 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -38.33 -65.18 0.74 Allowed Glycine 0 C--N 1.341 0.848 0 O-C-N 123.517 0.511 . . . . 0.0 114.32 -172.039 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -64.48 81.02 0.17 Allowed 'Trans proline' 0 CA--C 1.533 0.459 0 C-N-CA 122.362 2.041 . . . . 0.0 111.732 178.558 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 131.32 -24.48 4.18 Favored Glycine 0 CA--C 1.519 0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 112.639 178.179 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 19.3 t -133.32 107.44 11.13 Favored 'Isoleucine or valine' 0 C--O 1.239 0.543 0 CA-C-N 116.828 0.314 . . . . 0.0 110.64 -178.567 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 50.8 p90 -62.83 172.6 1.62 Allowed 'General case' 0 C--O 1.237 0.442 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.556 174.46 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 35.8 tp -102.92 117.14 33.95 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 176.235 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.13 89.47 0.08 Allowed 'General case' 0 C--O 1.235 0.342 0 CA-C-O 121.198 0.523 . . . . 0.0 110.548 -177.666 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -75.74 134.37 40.49 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.784 -179.711 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 80.3 m-70 -133.15 152.58 51.94 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 173.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -55.69 -25.37 39.52 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 111.719 0.266 . . . . 0.0 111.719 -177.117 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -92.67 -32.85 14.6 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.656 -178.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 12.4 ptp180 -173.04 170.54 4.4 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 121.161 0.505 . . . . 0.0 111.343 -175.482 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 67.8 m-85 -98.49 149.03 23.14 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.451 -0.795 . . . . 0.0 109.079 174.06 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 33.4 t -142.36 162.26 35.93 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.93 -0.396 . . . . 0.0 109.93 178.735 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.637 ' SG ' ' O ' ' A' ' 40' ' ' GLY . 42.4 t -147.03 125.81 12.65 Favored 'General case' 0 CA--C 1.513 -0.453 0 N-CA-C 111.779 0.289 . . . . 0.0 111.779 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.637 ' O ' ' SG ' ' A' ' 39' ' ' CYS . . . -67.65 178.73 18.56 Favored Glycine 0 N--CA 1.447 -0.579 0 N-CA-C 110.031 -1.228 . . . . 0.0 110.031 163.456 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.448 ' HB2' ' O ' ' A' ' 40' ' ' GLY . 22.6 mmt180 76.14 -53.55 0.61 Allowed 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 123.008 0.523 . . . . 0.0 111.224 177.245 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.447 ' SG ' ' HB2' ' A' ' 44' ' ' TYR . 13.6 p -122.68 -9.1 8.43 Favored 'General case' 0 N--CA 1.464 0.236 0 C-N-CA 119.93 -0.708 . . . . 0.0 112.04 -177.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 72.05 21.12 79.23 Favored Glycine 0 C--N 1.335 0.478 0 C-N-CA 120.625 -0.798 . . . . 0.0 112.91 177.359 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.447 ' HB2' ' SG ' ' A' ' 42' ' ' CYS . 85.3 t80 -63.42 124.83 22.31 Favored 'General case' 0 C--O 1.234 0.286 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 178.086 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 86.9 m -127.74 135.22 49.84 Favored 'General case' 0 C--N 1.327 -0.387 0 O-C-N 123.675 0.609 . . . . 0.0 109.845 178.04 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -139.22 114.61 9.75 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 79.3 m-85 -58.8 145.98 38.73 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.726 0.298 . . . . 0.0 111.044 -179.232 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 31.3 mmtt -64.14 90.79 0.07 Allowed 'General case' 0 C--O 1.235 0.314 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.699 178.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -74.49 116.53 15.28 Favored 'General case' 0 C--O 1.236 0.355 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 175.761 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -153.92 90.21 1.36 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.624 -0.717 . . . . 0.0 109.848 177.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.57 ' HA ' ' HE2' ' A' ' 51' ' ' LYS . 0.1 OUTLIER -64.11 -33.39 75.65 Favored 'General case' 0 C--O 1.233 0.225 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 178.163 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -106.32 141.63 37.33 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.133 -0.94 . . . . 0.0 109.188 170.576 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 20.0 m -144.29 116.88 8.63 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.754 -0.461 . . . . 0.0 109.754 178.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.454 ' NZ ' ' HB2' ' A' ' 54' ' ' LYS . 0.1 OUTLIER -69.49 89.41 0.51 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.295 0.569 . . . . 0.0 110.509 -179.692 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 17.3 m . . . . . 0 C--O 1.25 1.119 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.171 -179.783 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.504 ' SD ' ' N ' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.481 1.125 0 CA-C-O 120.679 0.276 . . . . 0.0 110.471 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -96.83 115.61 27.73 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.448 -178.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 17.6 ptpt -66.54 145.96 55.05 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.517 178.6 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 22.1 mmt85 -88.01 123.9 33.19 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.215 -178.438 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 72.5 mm-40 -88.74 -76.79 0.39 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.747 -176.39 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 44.8 tp 70.14 150.42 0.09 Allowed 'General case' 0 C--O 1.235 0.314 0 O-C-N 123.917 0.761 . . . . 0.0 109.435 -168.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 95.2 m-85 -72.03 90.82 1.19 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.347 0.594 . . . . 0.0 111.064 -175.284 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 24.5 mm-40 -77.18 137.29 38.78 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-N 115.141 -0.936 . . . . 0.0 110.649 177.12 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 50.4 mm 66.94 104.09 0.04 OUTLIER 'Isoleucine or valine' 0 C--O 1.234 0.278 0 O-C-N 123.771 0.669 . . . . 0.0 110.655 179.816 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.15 159.75 9.23 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-N 115.725 -0.67 . . . . 0.0 111.647 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.433 ' OD2' ' HG2' ' A' ' 13' ' ' LYS . 4.4 p-10 -56.11 142.11 37.88 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.113 178.624 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -93.9 66.5 1.61 Allowed Glycine 0 C--N 1.331 0.264 0 C-N-CA 121.209 -0.519 . . . . 0.0 113.382 -174.21 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.433 ' HG2' ' OD2' ' A' ' 11' ' ' ASP . 72.9 mmtt -65.03 95.39 0.16 Allowed 'General case' 0 N--CA 1.465 0.303 0 N-CA-C 111.608 0.225 . . . . 0.0 111.608 179.379 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 80.0 mt 63.39 8.41 3.47 Favored 'General case' 0 N--CA 1.47 0.528 0 N-CA-C 112.637 0.606 . . . . 0.0 112.637 171.597 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 34.2 m -85.04 36.25 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.317 0 CA-C-O 120.812 0.339 . . . . 0.0 111.184 -177.64 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 38.5 ttm180 -51.84 -40.56 60.74 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.497 -177.069 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -135.67 87.94 2.36 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 -178.823 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 56.5 p-80 -115.82 33.57 5.42 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.5 -175.636 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.408 HH11 ' HD3' ' A' ' 19' ' ' ARG . 51.2 mtt180 -65.43 102.52 0.7 Allowed 'General case' 0 C--O 1.235 0.328 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.39 178.408 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.589 ' HB3' ' HA2' ' A' ' 25' ' ' GLY . 95.0 m-85 -77.92 160.43 28.25 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.809 176.752 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.42 ' O ' ' N ' ' A' ' 25' ' ' GLY . 50.6 t -61.89 128.14 90.13 Favored Pre-proline 0 C--N 1.327 -0.373 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 178.321 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_exo -40.31 -52.98 2.78 Favored 'Trans proline' 0 C--N 1.349 0.602 0 C-N-CA 123.027 2.484 . . . . 0.0 113.343 -173.7 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 15.7 mmt180 -90.41 -37.68 13.8 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 116.022 -0.536 . . . . 0.0 112.243 -172.8 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.579 ' HB3' ' HB ' ' A' ' 28' ' ' VAL . 11.0 m -89.03 -0.73 57.67 Favored 'General case' 0 N--CA 1.477 0.898 0 O-C-N 122.357 -0.215 . . . . 0.0 111.377 -178.66 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.589 ' HA2' ' HB3' ' A' ' 20' ' ' PHE . . . -36.6 -62.3 0.8 Allowed Glycine 0 C--N 1.333 0.377 0 O-C-N 123.859 0.724 . . . . 0.0 114.612 -169.405 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 44.7 Cg_exo -57.29 84.72 0.04 OUTLIER 'Trans proline' 0 CA--C 1.535 0.556 0 C-N-CA 122.558 2.172 . . . . 0.0 112.432 178.368 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 113.88 -24.28 12.09 Favored Glycine 0 CA--C 1.521 0.42 0 CA-C-N 115.805 -0.634 . . . . 0.0 113.524 175.721 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.579 ' HB ' ' HB3' ' A' ' 24' ' ' CYS . 44.6 t -126.58 109.67 21.57 Favored 'Isoleucine or valine' 0 C--O 1.237 0.41 0 CA-C-O 121.184 0.516 . . . . 0.0 110.921 -177.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 37.0 p90 -76.43 -163.83 0.35 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.224 -0.898 . . . . 0.0 111.106 -179.64 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.425 ' HG ' ' HB3' ' A' ' 37' ' ' TYR . 30.1 tp -116.94 118.88 33.66 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 176.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -69.03 89.86 0.44 Allowed 'General case' 0 C--O 1.234 0.237 0 CA-C-O 121.046 0.451 . . . . 0.0 111.181 -175.665 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -75.21 126.86 31.89 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.85 178.699 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -130.62 156.85 44.18 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 174.15 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -54.35 -28.51 43.42 Favored 'General case' 0 C--O 1.235 0.314 0 O-C-N 123.296 0.372 . . . . 0.0 111.515 -177.522 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -83.94 -41.43 17.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.022 179.754 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 18.8 ptt180 -177.37 172.3 1.87 Allowed 'General case' 0 N--CA 1.463 0.194 0 CA-C-O 121.23 0.538 . . . . 0.0 111.539 -174.791 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.425 ' HB3' ' HG ' ' A' ' 30' ' ' LEU . 14.1 m-85 -98.67 137.96 36.54 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.246 -0.888 . . . . 0.0 109.046 176.554 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 47.1 t -134.38 161.34 35.27 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.877 0.37 . . . . 0.0 110.499 179.788 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 41.3 t -140.55 88.5 2.2 Favored 'General case' 0 C--O 1.238 0.471 0 CA-C-N 116.598 -0.274 . . . . 0.0 111.738 175.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -67.02 74.83 0.17 Allowed Glycine 0 C--N 1.332 0.354 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 172.2 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.564 ' HD2' ' SG ' ' A' ' 24' ' ' CYS . 0.5 OUTLIER -171.89 -30.68 0.01 OUTLIER 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 109.109 -0.7 . . . . 0.0 109.109 -174.584 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.428 ' SG ' ' HB2' ' A' ' 44' ' ' TYR . 26.0 p -147.45 -3.3 0.55 Allowed 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.718 174.797 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 79.89 22.99 62.65 Favored Glycine 0 C--N 1.338 0.646 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.558 179.71 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.428 ' HB2' ' SG ' ' A' ' 42' ' ' CYS . 59.2 t80 -79.4 123.23 27.31 Favored 'General case' 0 C--O 1.24 0.558 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 176.566 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 62.3 m -140.08 147.6 40.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 123.634 0.584 . . . . 0.0 110.626 -175.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -149.79 138.15 20.61 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 178.203 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 79.2 m-85 -77.07 147.48 36.65 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.66 0.267 . . . . 0.0 110.829 -177.366 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 25.0 mmtt -61.98 104.48 0.47 Allowed 'General case' 0 C--O 1.233 0.204 0 CA-C-N 116.134 -0.485 . . . . 0.0 109.714 176.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.421 ' HE3' ' HB2' ' A' ' 49' ' ' LYS . 5.9 ttmt -102.89 96.89 7.12 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.231 -177.521 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.51 -40.6 95.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.623 -178.082 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.417 ' HE3' ' HB2' ' A' ' 51' ' ' LYS . 32.7 ttmt -155.59 149.54 25.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.868 179.741 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 18.0 pttp -148.93 136.4 20.31 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.37 -175.463 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 35.7 t -92.75 75.31 4.95 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.32 179.515 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 67.8 mttm 57.77 -82.32 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 115.533 -0.758 . . . . 0.0 111.778 178.536 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 14.3 p . . . . . 0 C--O 1.252 1.189 0 CA-C-O 118.767 -0.635 . . . . 0.0 110.089 -178.276 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.1 ptt? . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 120.603 0.239 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 44.3 tt0 -112.39 101.01 9.23 Favored 'General case' 0 C--O 1.235 0.315 0 N-CA-C 110.069 -0.345 . . . . 0.0 110.069 179.41 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 60.1 tptt -80.8 140.14 35.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.006 179.03 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 61.5 mtp180 -127.75 168.37 15.2 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.071 0.462 . . . . 0.0 111.299 179.005 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.55 -29.31 66.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.245 -0.888 . . . . 0.0 110.556 175.686 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.428 ' HB3' ' H ' ' A' ' 7' ' ' TYR . 4.5 tt 63.83 -92.6 0.03 OUTLIER 'General case' 0 CA--C 1.537 0.445 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.986 177.118 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.428 ' H ' ' HB3' ' A' ' 6' ' ' LEU . 47.0 m-85 -160.17 172.91 16.58 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 122.656 0.383 . . . . 0.0 110.578 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -74.46 166.4 23.58 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.207 178.887 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 40.2 pt -99.35 174.42 0.94 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.29 0 CA-C-O 120.905 0.383 . . . . 0.0 110.826 177.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -86.08 79.35 9.18 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.508 177.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -102.35 -53.74 2.83 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.969 -0.559 . . . . 0.0 109.566 176.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -80.86 54.29 4.67 Favored Glycine 0 N--CA 1.452 -0.235 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.582 176.642 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 65.5 tttm -66.11 -32.54 74.05 Favored 'General case' 0 C--O 1.237 0.43 0 C-N-CA 122.85 0.46 . . . . 0.0 111.304 -174.27 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 46.2 tp -95.61 90.79 5.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.453 -179.591 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 20.5 m -135.27 162.19 38.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.762 177.55 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.545 ' HB3' ' HG2' ' A' ' 19' ' ' ARG . 13.9 tpt180 -89.13 140.02 29.88 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.362 -177.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 6.0 tmtm? -66.97 118.55 10.6 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 179.094 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.485 ' O ' ' CG ' ' A' ' 18' ' ' HIS . 3.7 p-80 47.2 92.4 0.01 OUTLIER 'General case' 0 CA--C 1.538 0.498 0 CA-C-O 122.218 1.008 . . . . 0.0 110.719 -173.865 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.545 ' HG2' ' HB3' ' A' ' 16' ' ' ARG . 80.8 mtp180 -82.65 167.21 18.48 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.584 -177.246 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 57.6 m-85 -101.71 142.26 33.32 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 173.274 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 52.6 t -63.74 121.9 73.52 Favored Pre-proline 0 C--N 1.325 -0.5 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.316 -177.494 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -42.18 -39.52 6.06 Favored 'Trans proline' 0 C--N 1.351 0.683 0 C-N-CA 123.106 2.538 . . . . 0.0 113.564 -172.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 59.5 mmt-85 -93.78 -55.41 3.26 Favored 'General case' 0 CA--C 1.536 0.419 0 N-CA-C 111.951 0.352 . . . . 0.0 111.951 -177.58 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 4.2 m -75.86 -1.16 23.99 Favored 'General case' 0 N--CA 1.478 0.949 0 N-CA-C 111.665 0.246 . . . . 0.0 111.665 -176.636 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.401 ' O ' ' N ' ' A' ' 27' ' ' GLY . . . -33.52 -62.29 0.41 Allowed Glycine 0 N--CA 1.466 0.663 0 N-CA-C 115.454 0.942 . . . . 0.0 115.454 -169.21 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -53.01 84.09 0.02 OUTLIER 'Trans proline' 0 CA--C 1.535 0.568 0 C-N-CA 122.774 2.316 . . . . 0.0 113.138 -178.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.401 ' N ' ' O ' ' A' ' 25' ' ' GLY . . . 107.41 -24.96 23.04 Favored Glycine 0 CA--C 1.518 0.268 0 CA-C-N 116.031 -0.531 . . . . 0.0 112.735 176.84 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 39.4 t -118.81 98.54 6.53 Favored 'Isoleucine or valine' 0 C--O 1.238 0.5 0 CA-C-O 121.345 0.593 . . . . 0.0 110.117 -178.726 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 37.7 p90 -75.66 -170.07 1.2 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.098 -0.955 . . . . 0.0 111.226 -178.003 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.674 ' HG ' ' HB3' ' A' ' 37' ' ' TYR . 26.7 tp -113.28 101.07 9.06 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 108.549 -0.908 . . . . 0.0 108.549 176.128 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -55.03 107.48 0.31 Allowed 'General case' 0 C--O 1.232 0.172 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.748 -172.46 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -79.36 111.71 15.88 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.553 179.155 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 65.2 m-70 -111.77 153.35 26.66 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 108.851 -0.796 . . . . 0.0 108.851 173.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.51 -22.09 42.01 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.871 0.367 . . . . 0.0 111.389 -178.346 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -91.04 -37.03 13.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.351 178.559 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.578 ' HB2' ' O ' ' A' ' 46' ' ' GLU . 17.1 ptt-85 -176.95 172.01 2.07 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-O 121.072 0.463 . . . . 0.0 111.49 -175.249 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.674 ' HB3' ' HG ' ' A' ' 30' ' ' LEU . 14.7 m-85 -97.5 129.04 44.71 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.256 175.637 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 46.5 p -127.7 157.11 41.21 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.004 0.431 . . . . 0.0 111.022 -179.201 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.679 ' SG ' ' O ' ' A' ' 40' ' ' GLY . 42.9 t -131.07 132.3 44.79 Favored 'General case' 0 CA--C 1.512 -0.486 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.066 177.062 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.679 ' O ' ' SG ' ' A' ' 39' ' ' CYS . . . -73.17 177.96 41.75 Favored Glycine 0 N--CA 1.442 -0.947 0 N-CA-C 109.751 -1.34 . . . . 0.0 109.751 164.558 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 12.5 mmt180 75.65 -54.8 0.63 Allowed 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 117.143 0.472 . . . . 0.0 110.976 175.705 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.626 ' SG ' ' HB2' ' A' ' 44' ' ' TYR . 11.2 p -121.26 -4.23 9.46 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 120.218 -0.593 . . . . 0.0 112.002 -178.855 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 69.48 13.11 67.7 Favored Glycine 0 C--N 1.335 0.475 0 C-N-CA 120.771 -0.728 . . . . 0.0 113.215 175.285 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.626 ' HB2' ' SG ' ' A' ' 42' ' ' CYS . 62.5 t80 -61.53 127.99 34.12 Favored 'General case' 0 C--O 1.234 0.248 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 -178.138 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 94.2 m -134.45 127.42 31.45 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.223 0.535 . . . . 0.0 112.117 -174.345 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.578 ' O ' ' HB2' ' A' ' 36' ' ' ARG . 10.9 tp10 -112.33 157.76 20.6 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 107.704 -1.221 . . . . 0.0 107.704 170.796 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -104.65 151.02 24.19 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 118.333 0.515 . . . . 0.0 111.915 -176.388 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 41.0 mmtt -72.22 83.68 1.03 Allowed 'General case' 0 C--O 1.234 0.27 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.242 176.567 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 83.8 mttt -66.12 115.69 6.4 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.252 -0.885 . . . . 0.0 109.087 174.616 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -45.02 128.36 7.11 Favored 'General case' 0 N--CA 1.464 0.261 0 O-C-N 123.938 0.774 . . . . 0.0 112.59 -170.561 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 31.7 mmmt -69.1 -45.22 70.79 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.128 179.049 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 57.1 mtpt 47.37 -94.4 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 115.461 -0.79 . . . . 0.0 110.632 -177.684 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 59.5 p -179.38 -47.07 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.134 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 176.799 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.446 ' O ' ' HG2' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -153.68 109.4 3.25 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-O 120.888 0.375 . . . . 0.0 110.782 174.774 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 40.5 m . . . . . 0 C--O 1.25 1.092 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.704 177.943 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.6 mtt . . . . . 0 N--CA 1.484 1.235 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.17 80.6 2.98 Favored 'General case' 0 C--O 1.234 0.257 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 177.199 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -107.31 172.06 7.04 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.902 177.218 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 92.5 mtt-85 -73.82 89.72 1.85 Allowed 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.52 -0.918 . . . . 0.0 108.52 171.611 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.422 ' HG3' ' N ' ' A' ' 6' ' ' LEU . 16.9 pt-20 -50.46 -48.87 56.42 Favored 'General case' 0 C--O 1.239 0.515 0 CA-C-N 115.438 -0.801 . . . . 0.0 111.103 -174.203 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.422 ' N ' ' HG3' ' A' ' 5' ' ' GLU . 88.6 mt 49.42 -161.9 0.05 OUTLIER 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.245 -175.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 -120.99 -15.84 8.18 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 173.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 66.73 131.93 0.02 OUTLIER 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 115.472 -0.786 . . . . 0.0 111.324 176.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.551 HD11 ' HA ' ' A' ' 52' ' ' LYS . 15.7 pt -74.29 70.5 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 121.66 0.743 . . . . 0.0 110.933 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -151.6 18.26 0.71 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.492 -179.253 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -76.23 136.99 39.69 Favored 'General case' 0 C--O 1.237 0.444 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.453 179.034 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 109.09 159.82 19.21 Favored Glycine 0 N--CA 1.451 -0.315 0 N-CA-C 111.489 -0.644 . . . . 0.0 111.489 -176.352 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 51.6 mtpt -87.79 36.19 0.75 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.342 0.592 . . . . 0.0 110.571 -178.11 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 80.9 mt -82.54 62.98 6.47 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.225 -179.616 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 60.1 t -65.44 -42.63 93.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.503 177.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 53.9 mtm180 -74.89 122.46 23.43 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.103 -0.953 . . . . 0.0 109.999 177.648 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.709 ' NZ ' ' HA ' ' A' ' 17' ' ' LYS . 0.1 OUTLIER -96.02 -15.83 22.02 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.697 -0.229 . . . . 0.0 110.699 179.063 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 80.5 m-70 61.5 27.29 16.86 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.451 177.268 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.51 ' O ' ' HB3' ' A' ' 30' ' ' LEU . 97.7 mtt180 -75.36 124.39 27.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.001 -178.16 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -107.51 168.59 9.13 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 171.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.434 ' O ' ' N ' ' A' ' 25' ' ' GLY . 39.4 t -81.21 111.36 23.77 Favored Pre-proline 0 C--N 1.326 -0.414 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 -178.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 67.1 Cg_exo -43.45 -39.5 9.42 Favored 'Trans proline' 0 C--N 1.35 0.648 0 C-N-CA 123.245 2.63 . . . . 0.0 113.418 -169.805 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 -85.45 -46.85 10.5 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.605 -175.57 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.451 ' CB ' ' HB ' ' A' ' 28' ' ' VAL . 4.5 m -89.97 -1.33 57.95 Favored 'General case' 0 N--CA 1.472 0.647 0 N-CA-C 111.786 0.291 . . . . 0.0 111.786 -176.489 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 21' ' ' CYS . . . -37.84 -73.46 0.14 Allowed Glycine 0 N--CA 1.464 0.564 0 O-C-N 123.692 0.62 . . . . 0.0 114.168 -168.189 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_exo -60.31 86.11 0.08 OUTLIER 'Trans proline' 0 CA--C 1.532 0.414 0 C-N-CA 122.3 2.0 . . . . 0.0 111.663 175.733 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 131.05 -25.51 4.11 Favored Glycine 0 N--CA 1.452 -0.273 0 CA-C-N 115.777 -0.647 . . . . 0.0 112.508 177.283 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.451 ' HB ' ' CB ' ' A' ' 24' ' ' CYS . 21.9 t -137.02 107.09 5.08 Favored 'Isoleucine or valine' 0 C--O 1.237 0.434 0 CA-C-O 120.839 0.352 . . . . 0.0 110.458 178.223 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 21.1 p90 -65.2 164.3 13.52 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.51 176.521 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.51 ' HB3' ' O ' ' A' ' 19' ' ' ARG . 57.3 tp -102.73 107.9 18.95 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.486 -0.931 . . . . 0.0 108.486 172.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.14 94.86 0.02 OUTLIER 'General case' 0 C--O 1.234 0.278 0 O-C-N 123.272 0.358 . . . . 0.0 110.685 -176.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.445 ' HG3' ' CE2' ' A' ' 37' ' ' TYR . 48.4 tt0 -86.12 90.72 8.21 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.804 -179.049 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 66.9 m-70 -89.18 151.25 22.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.418 -0.81 . . . . 0.0 109.3 177.428 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.07 -22.07 48.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.919 0.39 . . . . 0.0 110.29 175.586 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -82.75 -42.53 17.88 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 115.883 -0.598 . . . . 0.0 111.244 177.304 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.489 ' HB2' ' O ' ' A' ' 46' ' ' GLU . 16.1 ptp180 -175.9 173.05 2.36 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-O 121.072 0.463 . . . . 0.0 111.48 -174.078 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.445 ' CE2' ' HG3' ' A' ' 32' ' ' GLU . 33.0 m-85 -97.5 140.47 31.89 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 108.68 -0.859 . . . . 0.0 108.68 174.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 31.2 t -144.11 148.46 35.13 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 121.202 0.525 . . . . 0.0 111.808 -177.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 45.5 t -139.59 87.18 2.16 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.024 175.38 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -71.57 69.21 0.94 Allowed Glycine 0 C--N 1.335 0.474 0 O-C-N 123.425 0.453 . . . . 0.0 112.617 -179.345 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 16.7 mmt180 -160.31 -48.22 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 123.555 0.742 . . . . 0.0 109.418 -179.552 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 17.8 p -116.33 -14.59 11.02 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.441 176.635 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 89.77 27.36 22.02 Favored Glycine 0 C--N 1.335 0.485 0 C-N-CA 121.182 -0.532 . . . . 0.0 113.061 176.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 52.7 t80 -78.87 108.78 12.58 Favored 'General case' 0 C--O 1.237 0.434 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 174.532 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 49.3 m -140.29 146.39 38.5 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.195 -177.033 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.489 ' O ' ' HB2' ' A' ' 36' ' ' ARG . 13.7 tp10 -162.06 144.07 11.18 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 109.738 -0.468 . . . . 0.0 109.738 -179.221 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 86.7 m-85 -65.82 155.73 35.39 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-O 120.938 0.399 . . . . 0.0 111.233 -179.191 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 12.8 mmtt -69.75 80.02 0.44 Allowed 'General case' 0 C--O 1.234 0.266 0 CA-C-O 121.432 0.634 . . . . 0.0 110.032 174.777 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -144.63 69.37 1.26 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.307 -0.86 . . . . 0.0 109.083 178.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -86.38 1.9 49.53 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.671 -178.222 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.413 ' O ' ' HB3' ' A' ' 52' ' ' LYS . 41.0 mtpt -54.64 125.1 18.48 Favored 'General case' 0 C--O 1.234 0.262 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 176.233 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.551 ' HA ' HD11 ' A' ' 9' ' ' ILE . 26.5 ttpp 68.68 66.28 0.31 Allowed 'General case' 0 CA--C 1.531 0.213 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 -172.084 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 5.4 m -67.44 -69.24 0.33 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 114.816 -1.084 . . . . 0.0 110.914 -175.794 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 64.6 tttp 65.78 142.37 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.436 -178.07 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 57.9 m . . . . . 0 C--O 1.248 0.977 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.295 178.104 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.471 ' SD ' ' C ' ' A' ' 1' ' ' MET . 0.7 OUTLIER . . . . . 0 N--CA 1.482 1.143 0 CA-C-O 120.602 0.239 . . . . 0.0 110.668 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 89.5 mt-30 -66.39 -50.45 63.41 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.151 -175.553 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.42 ' N ' ' HD2' ' A' ' 3' ' ' LYS . 3.2 mptp? -113.77 101.97 9.79 Favored 'General case' 0 C--O 1.234 0.283 0 N-CA-C 110.149 -0.315 . . . . 0.0 110.149 178.317 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 26.6 mtm180 -86.51 103.71 15.29 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 177.254 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -79.12 -57.68 3.61 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 177.09 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 68.4 mt 56.35 101.08 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.434 176.82 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 77.1 t80 -64.72 -32.98 74.9 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.71 -178.339 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -75.72 101.39 5.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.393 0.616 . . . . 0.0 110.261 178.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 55.0 mt -119.33 141.13 40.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 114.982 -1.008 . . . . 0.0 109.523 -179.043 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -151.72 149.76 29.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.618 0.247 . . . . 0.0 110.809 -179.501 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 13.2 p-10 -64.0 -37.09 86.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.716 -0.675 . . . . 0.0 109.481 176.226 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -163.5 -105.77 0.19 Allowed Glycine 0 N--CA 1.448 -0.53 0 N-CA-C 110.445 -1.062 . . . . 0.0 110.445 177.509 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 43.4 mmtm 58.33 25.43 12.77 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 121.3 0.571 . . . . 0.0 110.684 175.036 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 86.8 mt -73.35 133.23 43.76 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 115.496 -0.775 . . . . 0.0 109.928 -179.084 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 13.1 m -61.02 94.24 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 121.428 0.632 . . . . 0.0 111.212 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.409 ' O ' ' HB3' ' A' ' 17' ' ' LYS . 58.9 ttp180 -68.12 106.38 2.38 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.501 -0.772 . . . . 0.0 109.544 177.424 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.409 ' HB3' ' O ' ' A' ' 16' ' ' ARG . 85.3 tttt 67.65 112.01 0.04 OUTLIER 'General case' 0 C--O 1.234 0.286 0 O-C-N 123.76 0.662 . . . . 0.0 111.216 -173.625 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 89.3 m-70 -69.0 143.22 54.43 Favored 'General case' 0 C--O 1.237 0.413 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 172.072 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 75.7 mtp180 -67.66 139.66 56.8 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.023 0.44 . . . . 0.0 110.925 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -99.21 168.63 9.92 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.572 173.236 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 47.9 t -88.34 123.59 68.06 Favored Pre-proline 0 C--N 1.325 -0.481 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 176.304 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_endo -53.72 -23.55 26.85 Favored 'Trans proline' 0 CA--C 1.535 0.56 0 C-N-CA 122.964 2.443 . . . . 0.0 113.692 -169.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.536 ' NE ' ' HA ' ' A' ' 23' ' ' ARG . 4.1 mmp_? -106.2 -47.83 3.73 Favored 'General case' 0 N--CA 1.468 0.44 0 O-C-N 122.165 -0.334 . . . . 0.0 111.735 177.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.493 ' HB3' ' HB ' ' A' ' 28' ' ' VAL . 7.7 m -81.34 -0.06 39.41 Favored 'General case' 0 N--CA 1.474 0.771 0 N-CA-C 111.814 0.302 . . . . 0.0 111.814 -177.497 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -33.85 -62.19 0.45 Allowed Glycine 0 C--N 1.339 0.733 0 O-C-N 123.653 0.596 . . . . 0.0 114.133 -172.684 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 28.4 Cg_endo -62.75 98.65 0.2 Allowed 'Trans proline' 0 CA--C 1.534 0.493 0 C-N-CA 122.353 2.035 . . . . 0.0 112.108 176.223 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 106.54 -24.91 24.58 Favored Glycine 0 CA--C 1.518 0.248 0 CA-C-N 115.999 -0.546 . . . . 0.0 113.298 175.45 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.493 ' HB ' ' HB3' ' A' ' 24' ' ' CYS . 18.0 t -132.32 106.15 10.41 Favored 'Isoleucine or valine' 0 C--O 1.237 0.43 0 CA-C-N 117.187 0.494 . . . . 0.0 110.527 -178.651 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 41.7 p90 -72.02 -174.2 1.19 Allowed 'General case' 0 C--O 1.236 0.35 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.101 176.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.412 ' HG ' ' HB3' ' A' ' 37' ' ' TYR . 27.8 tp -106.31 113.72 27.41 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 177.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.21 97.17 0.03 OUTLIER 'General case' 0 C--O 1.233 0.219 0 CA-C-O 121.113 0.482 . . . . 0.0 110.78 -177.353 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 59.1 tt0 -84.48 125.22 32.19 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.633 -176.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 76.1 m-70 -128.13 156.47 42.81 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 176.48 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.32 -26.31 62.91 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 120.685 0.279 . . . . 0.0 111.609 -177.194 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -89.08 -36.26 15.86 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.487 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 15.5 ptp180 -168.52 166.22 12.16 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.326 0.584 . . . . 0.0 112.056 -169.629 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.412 ' HB3' ' HG ' ' A' ' 30' ' ' LEU . 62.1 m-85 -98.42 140.55 32.5 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 114.959 -1.018 . . . . 0.0 108.258 168.682 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 9.5 t -142.68 162.32 35.78 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 120.828 0.347 . . . . 0.0 110.112 -177.746 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.687 ' SG ' ' O ' ' A' ' 40' ' ' GLY . 46.1 t -149.19 127.99 12.54 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.589 -178.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.687 ' O ' ' SG ' ' A' ' 39' ' ' CYS . . . -73.39 -170.19 18.87 Favored Glycine 0 N--CA 1.443 -0.87 0 N-CA-C 109.468 -1.453 . . . . 0.0 109.468 161.764 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 14.5 mmt85 73.5 -48.17 0.67 Allowed 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 117.315 0.557 . . . . 0.0 111.243 175.636 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.416 ' SG ' ' HB2' ' A' ' 44' ' ' TYR . 15.7 p -126.87 -15.88 5.29 Favored 'General case' 0 C--N 1.342 0.267 0 C-N-CA 120.404 -0.518 . . . . 0.0 111.743 177.451 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 79.07 25.41 59.79 Favored Glycine 0 C--N 1.331 0.291 0 C-N-CA 120.399 -0.905 . . . . 0.0 112.474 179.701 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.416 ' HB2' ' SG ' ' A' ' 42' ' ' CYS . 79.3 t80 -71.54 116.0 11.38 Favored 'General case' 0 C--O 1.233 0.227 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 175.741 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 74.5 m -133.47 126.08 30.37 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.458 178.517 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -137.03 126.81 25.56 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -59.87 156.88 13.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.872 0.367 . . . . 0.0 111.658 -175.615 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 29.1 mmtt -57.98 88.65 0.01 OUTLIER 'General case' 0 C--O 1.232 0.164 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.496 176.365 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 85.7 tttt -58.41 -25.42 62.11 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 115.326 -0.852 . . . . 0.0 110.58 179.17 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . 59.62 -171.21 0.13 Allowed 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 115.793 -0.639 . . . . 0.0 111.508 175.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 2.7 ttmp? -104.76 112.78 26.01 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 176.72 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 94.4 mttt 55.67 47.83 19.78 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 121.228 0.537 . . . . 0.0 110.449 179.389 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 22.0 t -53.78 119.46 4.99 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 115.156 -0.929 . . . . 0.0 110.873 -177.18 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 39.3 ttpt 64.76 92.74 0.07 Allowed 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.693 -179.725 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 10.7 p . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.742 -0.647 . . . . 0.0 110.241 -179.01 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 86.1 mtp . . . . . 0 N--CA 1.483 1.179 0 CA-C-O 120.582 0.229 . . . . 0.0 110.445 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.1 pm0 -68.42 139.68 55.78 Favored 'General case' 0 C--O 1.234 0.239 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 174.235 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.627 ' N ' ' HD2' ' A' ' 3' ' ' LYS . 2.6 mptp? -72.64 96.04 1.94 Allowed 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.347 0.594 . . . . 0.0 110.52 -174.678 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 40.0 mmt180 -82.58 121.97 27.49 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.366 175.103 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.411 ' O ' ' HB2' ' A' ' 6' ' ' LEU . 36.4 mt-10 -83.59 50.42 1.79 Allowed 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 178.267 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.411 ' HB2' ' O ' ' A' ' 5' ' ' GLU . 7.7 mp 68.04 149.97 0.07 Allowed 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 115.092 -0.958 . . . . 0.0 110.291 -171.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 78.8 m-85 -67.88 -25.03 65.31 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-O 121.099 0.476 . . . . 0.0 110.01 178.345 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -90.23 91.71 8.63 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.577 174.339 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 23.6 pt -90.81 132.14 36.16 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.02 -179.25 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 62.47 -174.11 0.15 Allowed 'General case' 0 C--O 1.238 0.497 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.497 -177.304 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 25.8 t70 65.82 98.42 0.05 OUTLIER 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 121.097 0.475 . . . . 0.0 110.688 -178.856 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -88.23 -177.12 47.45 Favored Glycine 0 C--O 1.236 0.275 0 CA-C-N 115.869 -0.605 . . . . 0.0 112.253 -179.728 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 24.0 mtpp -95.99 70.1 2.85 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.593 0.711 . . . . 0.0 109.462 -178.442 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.562 ' HB2' ' HD2' ' A' ' 17' ' ' LYS . 1.8 pt? -78.7 19.54 0.5 Allowed 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 115.303 -0.862 . . . . 0.0 112.283 -172.379 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 60.3 t -59.91 -41.29 85.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.872 0.368 . . . . 0.0 110.626 179.726 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 22.9 tpt180 -122.38 97.55 5.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 109.817 176.659 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.562 ' HD2' ' HB2' ' A' ' 14' ' ' LEU . 48.1 mtpt -99.66 172.21 7.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.202 178.069 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 6.5 p-80 -175.01 170.44 3.21 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.85 -177.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 75.7 ttt180 -60.79 135.04 57.66 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.554 177.076 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 90.3 m-85 -81.16 -179.23 7.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.138 176.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.405 ' O ' ' N ' ' A' ' 25' ' ' GLY . 46.1 t -71.25 121.7 84.99 Favored Pre-proline 0 C--N 1.33 -0.277 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 -179.282 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -38.62 -45.87 2.46 Favored 'Trans proline' 0 C--N 1.35 0.647 0 C-N-CA 123.514 2.81 . . . . 0.0 113.991 -171.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 5.1 mmp_? -91.48 -47.52 7.38 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.507 -176.471 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.559 ' HB3' ' HB ' ' A' ' 28' ' ' VAL . 8.3 m -81.57 -1.25 45.68 Favored 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 111.597 0.221 . . . . 0.0 111.597 -175.527 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.405 ' N ' ' O ' ' A' ' 21' ' ' CYS . . . -40.82 -64.0 1.34 Allowed Glycine 0 C--N 1.338 0.648 0 O-C-N 123.495 0.497 . . . . 0.0 114.168 -171.357 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_endo -68.02 83.78 0.44 Allowed 'Trans proline' 0 N--CA 1.461 -0.441 0 C-N-CA 122.116 1.877 . . . . 0.0 111.725 177.071 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 131.36 -25.13 4.09 Favored Glycine 0 CA--C 1.519 0.326 0 CA-C-N 115.985 -0.552 . . . . 0.0 113.373 175.706 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.559 ' HB ' ' HB3' ' A' ' 24' ' ' CYS . 42.3 t -132.3 133.2 60.41 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.42 0 CA-C-N 117.265 0.532 . . . . 0.0 110.754 -178.888 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 49.4 p90 -77.27 178.72 6.88 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.612 -178.353 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 44.7 tp -127.5 107.96 10.39 Favored 'General case' 0 C--O 1.234 0.269 0 N-CA-C 108.987 -0.746 . . . . 0.0 108.987 174.82 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.491 ' HB3' ' HB3' ' A' ' 38' ' ' SER . . . -62.62 97.9 0.11 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.881 0.372 . . . . 0.0 110.981 -176.455 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -82.25 132.1 35.23 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.549 -179.779 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 75.9 m-70 -134.84 155.56 50.43 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 176.509 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.23 -22.82 53.7 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.922 0.392 . . . . 0.0 111.435 -177.49 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -94.16 -34.96 12.73 Favored 'General case' 0 C--O 1.237 0.422 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.464 -179.627 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 21.4 ptt180 -173.4 168.02 4.63 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 121.225 0.536 . . . . 0.0 111.848 -170.464 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 50.1 m-85 -99.91 148.87 24.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.322 -0.854 . . . . 0.0 109.159 173.722 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.491 ' HB3' ' HB3' ' A' ' 31' ' ' ALA . 32.6 t -135.09 147.85 49.67 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.044 0.45 . . . . 0.0 111.034 -177.176 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.4 ' HB3' ' HB3' ' A' ' 44' ' ' TYR . 41.8 t -141.03 89.67 2.26 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.89 174.299 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -71.17 63.33 1.0 Allowed Glycine 0 CA--C 1.521 0.434 0 O-C-N 123.417 0.448 . . . . 0.0 112.286 176.083 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.411 ' HA ' ' HD2' ' A' ' 41' ' ' ARG . 20.7 tpt180 -161.04 -29.97 0.05 Allowed 'General case' 0 CA--C 1.532 0.26 0 N-CA-C 109.955 -0.387 . . . . 0.0 109.955 -178.484 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 15.5 p -139.01 3.46 2.21 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-O 120.706 0.289 . . . . 0.0 110.421 172.066 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 77.35 15.55 81.36 Favored Glycine 0 C--N 1.334 0.463 0 C-N-CA 121.152 -0.547 . . . . 0.0 112.993 175.401 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.4 ' HB3' ' HB3' ' A' ' 39' ' ' CYS . 72.7 t80 -64.39 107.05 1.24 Allowed 'General case' 0 C--O 1.237 0.424 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 178.22 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 14.8 m -128.23 115.76 18.84 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.288 -0.869 . . . . 0.0 109.545 -179.821 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -132.27 129.6 39.8 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.087 -178.181 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 82.7 m-85 -72.97 151.95 41.59 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.867 0.365 . . . . 0.0 110.86 -178.234 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 44.0 mmtt -61.88 93.7 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.638 -0.71 . . . . 0.0 112.515 -176.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 14.6 mptt -75.43 103.18 5.46 Favored 'General case' 0 C--O 1.235 0.306 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 167.758 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -66.42 112.64 4.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.631 -179.529 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.48 ' HB3' ' HE2' ' A' ' 51' ' ' LYS . 42.0 mtpt -134.21 164.54 27.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.567 179.498 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 29.5 mtpp -123.63 155.85 36.93 Favored 'General case' 0 C--O 1.238 0.478 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.638 177.282 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 32.0 t -83.69 155.72 22.99 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.865 -0.42 . . . . 0.0 109.865 178.572 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 11.5 ptmm? -64.44 152.22 42.16 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.065 -179.622 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 20.3 m . . . . . 0 C--O 1.245 0.851 0 CA-C-N 115.967 -0.561 . . . . 0.0 109.494 174.503 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.2 ptp . . . . . 0 N--CA 1.48 1.053 0 CA-C-O 120.882 0.372 . . . . 0.0 110.495 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 22.8 tt0 -157.0 128.85 7.16 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.032 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 39.4 ttmt -157.33 149.21 22.39 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.519 -0.549 . . . . 0.0 109.519 179.294 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.5 79.89 0.57 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.313 0.578 . . . . 0.0 110.783 -178.734 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -84.53 4.91 29.77 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.392 178.159 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 82.9 mt -80.45 -13.63 58.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.952 -177.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 61.1 m-85 63.3 -169.0 0.19 Allowed 'General case' 0 C--O 1.237 0.4 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.307 178.645 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -104.79 147.54 27.6 Favored 'General case' 0 C--O 1.237 0.423 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.653 -179.604 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 26.7 pt -79.73 172.59 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.417 -176.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -104.16 -170.81 1.83 Allowed 'General case' 0 C--O 1.235 0.334 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.8 -179.415 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -97.78 147.23 24.6 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-O 120.777 0.322 . . . . 0.0 110.877 179.657 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -93.28 -174.46 40.5 Favored Glycine 0 N--CA 1.451 -0.326 0 N-CA-C 111.404 -0.678 . . . . 0.0 111.404 174.058 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -112.11 -27.9 8.19 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.068 0.461 . . . . 0.0 110.233 176.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.444 ' O ' HD12 ' A' ' 14' ' ' LEU . 3.2 pp -71.05 150.53 45.48 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.01 174.206 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 16.2 m -103.92 76.65 0.48 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.336 0 CA-C-O 121.578 0.704 . . . . 0.0 111.697 -176.418 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.428 ' HB3' ' H ' ' A' ' 17' ' ' LYS . 80.9 mtt85 57.08 -157.5 0.28 Allowed 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 114.958 -1.019 . . . . 0.0 113.13 170.82 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.428 ' H ' ' HB3' ' A' ' 16' ' ' ARG . 22.0 tptm -83.43 25.0 0.78 Allowed 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 123.288 0.635 . . . . 0.0 112.211 -167.219 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 67.1 m-70 64.69 -175.66 0.17 Allowed 'General case' 0 N--CA 1.469 0.492 0 CA-C-O 120.942 0.401 . . . . 0.0 111.434 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 72.2 mtt85 -126.49 152.88 45.87 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.865 -178.523 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 62.7 m-85 -119.15 -179.66 3.9 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.963 -179.104 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.466 ' SG ' ' HD2' ' A' ' 22' ' ' PRO . 49.3 t -78.09 140.8 62.06 Favored Pre-proline 0 N--CA 1.463 0.221 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 178.093 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.466 ' HD2' ' SG ' ' A' ' 21' ' ' CYS . 52.0 Cg_exo -51.52 -71.48 0.04 OUTLIER 'Trans proline' 0 C--N 1.348 0.551 0 C-N-CA 122.32 2.013 . . . . 0.0 112.776 -176.321 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 79.4 mtm-85 -76.56 -38.43 55.0 Favored 'General case' 0 CA--C 1.532 0.265 0 N-CA-C 112.319 0.489 . . . . 0.0 112.319 -171.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.439 ' HB3' ' HB ' ' A' ' 28' ' ' VAL . 4.3 m -80.92 -3.67 52.27 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 120.908 -0.317 . . . . 0.0 110.97 -179.876 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -42.05 -58.18 3.32 Favored Glycine 0 C--N 1.339 0.72 0 O-C-N 123.492 0.495 . . . . 0.0 113.399 -173.282 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_exo -60.29 88.57 0.08 OUTLIER 'Trans proline' 0 CA--C 1.532 0.394 0 C-N-CA 122.263 1.976 . . . . 0.0 111.686 173.441 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 115.64 -25.13 9.84 Favored Glycine 0 CA--C 1.522 0.481 0 CA-C-N 116.028 -0.533 . . . . 0.0 113.518 175.004 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.439 ' HB ' ' HB3' ' A' ' 24' ' ' CYS . 39.9 t -128.13 120.07 52.56 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.438 0 CA-C-N 117.52 0.66 . . . . 0.0 110.942 -177.405 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 48.4 p90 -76.25 -174.49 2.82 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.52 177.549 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 34.7 tp -118.91 119.99 35.98 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 175.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -66.09 90.24 0.14 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.25 0.548 . . . . 0.0 110.938 -176.227 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -77.84 102.26 7.16 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.512 178.728 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 67.4 m-70 -106.38 153.58 22.03 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.195 -0.668 . . . . 0.0 109.195 175.339 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.57 -24.0 63.37 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 120.849 0.357 . . . . 0.0 111.029 -179.74 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -82.62 -40.93 20.13 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.89 177.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.494 ' CB ' ' HA ' ' A' ' 47' ' ' PHE . 16.2 ptt180 -179.15 173.23 1.17 Allowed 'General case' 0 C--O 1.233 0.209 0 CA-C-O 121.09 0.472 . . . . 0.0 111.442 -173.695 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 41.0 m-85 -98.17 138.55 35.28 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.423 -0.808 . . . . 0.0 109.392 175.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 22.0 p -135.4 151.68 50.69 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.958 0.408 . . . . 0.0 110.584 178.433 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.496 ' SG ' ' HB3' ' A' ' 41' ' ' ARG . 48.8 t -134.84 88.3 2.42 Favored 'General case' 0 C--O 1.239 0.535 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.582 177.787 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -65.18 72.2 0.08 OUTLIER Glycine 0 C--N 1.333 0.405 0 N-CA-C 111.462 -0.655 . . . . 0.0 111.462 172.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.496 ' HB3' ' SG ' ' A' ' 39' ' ' CYS . 25.8 tpt180 -168.95 -38.66 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 -174.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 29.1 p -136.98 -2.08 2.12 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.308 176.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 77.64 28.7 56.78 Favored Glycine 0 C--N 1.334 0.445 0 C-N-CA 120.849 -0.691 . . . . 0.0 112.412 178.629 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 69.3 t80 -86.98 109.04 19.11 Favored 'General case' 0 C--O 1.236 0.386 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 176.585 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 39.1 m -130.74 134.59 47.02 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.808 179.695 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.428 ' O ' ' HB2' ' A' ' 36' ' ' ARG . 10.6 tp10 -142.68 133.43 25.38 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.913 -0.403 . . . . 0.0 109.913 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.494 ' HA ' ' CB ' ' A' ' 36' ' ' ARG . 93.0 m-85 -72.87 151.96 41.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.036 0.446 . . . . 0.0 111.749 -175.731 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 43.3 mmtt -68.92 123.58 21.39 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 115.613 -0.722 . . . . 0.0 111.578 -179.185 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 12.7 mptt -92.13 -169.67 2.31 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.613 -0.721 . . . . 0.0 109.267 171.08 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -74.99 8.7 2.35 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-O 120.766 0.317 . . . . 0.0 111.113 176.792 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.489 ' HB2' ' HE2' ' A' ' 51' ' ' LYS . 21.5 ttmm -53.93 99.16 0.02 OUTLIER 'General case' 0 C--O 1.233 0.216 0 C-N-CA 123.297 0.639 . . . . 0.0 110.792 178.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 58.0 tptt -170.93 146.76 2.56 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.783 -0.19 . . . . 0.0 110.872 -175.716 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 28.5 t 74.47 100.36 0.07 Allowed 'General case' 0 CA--C 1.534 0.337 0 O-C-N 123.884 0.74 . . . . 0.0 112.332 171.713 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 60.6 tttm 63.59 162.71 0.11 Allowed 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 115.486 -0.779 . . . . 0.0 112.364 172.183 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 24.3 t . . . . . 0 C--O 1.252 1.216 0 N-CA-C 108.725 -0.843 . . . . 0.0 108.725 173.101 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.9 mtt . . . . . 0 N--CA 1.484 1.272 0 CA-C-O 120.849 0.356 . . . . 0.0 110.566 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 -134.7 146.43 49.45 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.753 -178.65 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -107.19 156.9 18.34 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.845 0.355 . . . . 0.0 110.724 -179.243 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.4 ' HA ' ' NE ' ' A' ' 4' ' ' ARG . 2.2 tpm_? -76.36 96.97 4.12 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 173.659 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -103.43 -76.76 0.58 Allowed 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 112.054 0.391 . . . . 0.0 112.054 -170.033 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 90.1 mt -82.14 95.41 7.49 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.902 -173.413 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 52.1 m-85 -59.82 133.39 56.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.866 175.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -55.65 142.42 34.05 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.36 -176.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 24.8 pt -85.79 114.39 25.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 121.078 0.466 . . . . 0.0 110.109 176.761 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -89.74 85.44 6.43 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.99 -175.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -157.85 154.43 27.98 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.015 -0.539 . . . . 0.0 109.818 177.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 126.64 49.06 0.18 Allowed Glycine 0 N--CA 1.454 -0.157 0 N-CA-C 111.544 -0.622 . . . . 0.0 111.544 -178.104 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 48.5 mtmt -107.23 104.05 13.57 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 122.474 0.31 . . . . 0.0 110.653 -177.353 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 67.1 mt 58.76 46.65 13.91 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.821 176.627 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 88.5 t -63.77 132.78 29.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.949 -179.534 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 21.2 tpt180 -65.59 96.75 0.28 Allowed 'General case' 0 CA--C 1.532 0.257 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 174.184 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -108.35 122.12 46.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.963 0.411 . . . . 0.0 111.487 -174.21 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 4.5 m170 -120.08 178.42 4.63 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 108.874 -0.788 . . . . 0.0 108.874 169.8 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.405 HH21 ' CD ' ' A' ' 32' ' ' GLU . 9.1 mtm180 -79.31 139.11 37.92 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.237 0.541 . . . . 0.0 112.103 -174.735 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -108.64 -179.68 3.94 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 115.359 -0.837 . . . . 0.0 109.961 177.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.649 ' SG ' ' HD2' ' A' ' 22' ' ' PRO . 44.5 t -101.55 143.18 26.09 Favored Pre-proline 0 C--N 1.33 -0.256 0 N-CA-C 110.133 -0.321 . . . . 0.0 110.133 179.091 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.649 ' HD2' ' SG ' ' A' ' 21' ' ' CYS . 18.2 Cg_endo -58.73 -48.93 13.0 Favored 'Trans proline' 0 C--N 1.35 0.657 0 C-N-CA 122.266 1.978 . . . . 0.0 112.718 -175.094 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 30.3 mmt180 -88.02 -60.17 2.04 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-O 120.768 0.318 . . . . 0.0 110.98 -176.131 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.8 m -71.5 -1.25 12.67 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 111.778 0.288 . . . . 0.0 111.778 -175.612 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -34.26 -67.07 0.26 Allowed Glycine 0 C--N 1.342 0.875 0 O-C-N 123.622 0.576 . . . . 0.0 114.363 -172.682 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -55.6 95.98 0.05 OUTLIER 'Trans proline' 0 C--O 1.238 0.504 0 C-N-CA 122.382 2.054 . . . . 0.0 112.087 178.2 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 106.02 -24.31 26.9 Favored Glycine 0 C--N 1.331 0.259 0 CA-C-N 116.067 -0.515 . . . . 0.0 112.891 176.594 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 19.3 t -126.77 98.72 4.95 Favored 'Isoleucine or valine' 0 C--O 1.239 0.523 0 CA-C-N 117.032 0.416 . . . . 0.0 110.732 -177.6 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 48.4 p90 -72.81 174.48 7.64 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.232 177.327 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.429 HD21 ' HB3' ' A' ' 37' ' ' TYR . 51.9 tp -94.99 118.75 32.34 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 177.723 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.99 88.11 0.01 OUTLIER 'General case' 0 C--O 1.234 0.274 0 CA-C-O 121.324 0.583 . . . . 0.0 110.071 178.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.405 ' CD ' HH21 ' A' ' 19' ' ' ARG . 43.5 tt0 -82.19 111.96 18.77 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.197 -0.91 . . . . 0.0 110.397 -176.352 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.427 ' O ' ' HE3' ' A' ' 48' ' ' LYS . 90.1 m-70 -118.0 156.49 28.46 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.046 179.109 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.2 -26.84 68.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.137 0.494 . . . . 0.0 110.717 177.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -80.87 -36.64 31.08 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.432 179.049 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 6.1 ptp180 -177.06 -178.2 0.8 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.16 0.505 . . . . 0.0 111.193 -167.554 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.429 ' HB3' HD21 ' A' ' 30' ' ' LEU . 47.1 m-85 -113.83 139.4 49.18 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.563 -0.903 . . . . 0.0 108.563 174.211 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.41 ' O ' HD12 ' A' ' 30' ' ' LEU . 46.9 t -137.58 156.19 48.36 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.663 0.268 . . . . 0.0 110.385 -178.225 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.615 ' SG ' ' O ' ' A' ' 40' ' ' GLY . 53.4 t -149.17 124.84 10.44 Favored 'General case' 0 CA--C 1.514 -0.43 0 N-CA-C 111.815 0.302 . . . . 0.0 111.815 178.18 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.615 ' O ' ' SG ' ' A' ' 39' ' ' CYS . . . -66.08 178.54 12.82 Favored Glycine 0 N--CA 1.447 -0.576 0 N-CA-C 110.004 -1.238 . . . . 0.0 110.004 162.685 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.513 ' HB2' ' O ' ' A' ' 40' ' ' GLY . 9.4 mmt180 76.56 -48.2 0.55 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 117.238 0.519 . . . . 0.0 111.587 177.598 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.417 ' SG ' ' HB2' ' A' ' 44' ' ' TYR . 20.9 p -125.13 -13.67 6.72 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 119.922 -0.711 . . . . 0.0 112.061 179.801 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 76.19 19.56 78.32 Favored Glycine 0 C--N 1.333 0.363 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.676 178.185 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.417 ' HB2' ' SG ' ' A' ' 42' ' ' CYS . 71.6 t80 -61.07 126.53 27.71 Favored 'General case' 0 C--O 1.234 0.278 0 N-CA-C 109.887 -0.412 . . . . 0.0 109.887 179.755 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 5.7 m -134.15 140.64 46.68 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.955 -177.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -150.84 105.98 3.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.177 -179.488 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.799 ' HB2' ' HB2' ' A' ' 50' ' ' ALA . 72.4 m-85 -67.54 136.81 55.1 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 110.28 -0.267 . . . . 0.0 110.28 178.239 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.427 ' HE3' ' O ' ' A' ' 33' ' ' HIS . 74.2 mttt -66.32 -31.47 72.28 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.324 -179.665 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 54.8 mtpt -103.18 30.81 4.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.02 0.438 . . . . 0.0 110.731 179.243 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.799 ' HB2' ' HB2' ' A' ' 47' ' ' PHE . . . -96.24 14.52 23.84 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.723 176.331 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 2.6 mmpm? -83.5 -86.25 0.11 Allowed 'General case' 0 C--O 1.236 0.379 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 177.57 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 30.0 mmtp -156.13 71.03 0.71 Allowed 'General case' 0 C--O 1.233 0.224 0 C-N-CA 123.15 0.58 . . . . 0.0 109.486 177.838 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 18.7 m -61.82 103.75 0.38 Allowed 'General case' 0 C--O 1.236 0.392 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.024 178.671 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 23.3 tptm -75.66 118.33 18.38 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.639 -174.347 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 5.1 p . . . . . 0 C--O 1.252 1.195 0 CA-C-O 118.705 -0.664 . . . . 0.0 110.535 177.908 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.458 ' SD ' ' N ' ' A' ' 1' ' ' MET . 1.1 mpt? . . . . . 0 N--CA 1.48 1.053 0 CA-C-O 120.603 0.239 . . . . 0.0 110.498 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -125.49 124.93 42.44 Favored 'General case' 0 C--O 1.233 0.224 0 C-N-CA 122.604 0.362 . . . . 0.0 110.186 178.746 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 55.0 mtmt -139.87 11.74 2.45 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.215 -177.675 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 7.8 mpt_? -88.63 144.53 26.24 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.83 0.348 . . . . 0.0 111.135 -178.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.425 ' HA ' ' CE2' ' A' ' 7' ' ' TYR . 42.8 mt-10 68.58 25.95 6.5 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 115.373 -0.831 . . . . 0.0 112.463 174.455 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 85.5 mt -78.8 77.86 5.26 Favored 'General case' 0 CA--C 1.534 0.327 0 CA-C-O 120.99 0.424 . . . . 0.0 110.248 175.788 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.425 ' CE2' ' HA ' ' A' ' 5' ' ' GLU . 10.1 p90 -146.17 171.06 15.48 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.371 178.828 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -72.43 131.61 42.8 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.029 177.773 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 65.2 mt -62.72 140.19 19.91 Favored 'Isoleucine or valine' 0 C--O 1.235 0.298 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.393 178.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.13 106.66 0.21 Allowed 'General case' 0 C--O 1.236 0.391 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.288 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -129.91 127.35 39.97 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.084 178.614 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -74.52 94.07 0.83 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 121.307 -0.473 . . . . 0.0 111.958 -179.598 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.49 ' HE3' ' HA ' ' A' ' 13' ' ' LYS . 0.4 OUTLIER -113.56 147.12 38.58 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 -179.571 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.9 tt -78.06 119.96 22.22 Favored 'General case' 0 C--O 1.235 0.333 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 178.721 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 28.9 m -60.08 145.24 12.04 Favored 'Isoleucine or valine' 0 C--O 1.235 0.32 0 CA-C-O 121.037 0.446 . . . . 0.0 111.108 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 52.4 mtt180 -127.66 161.93 27.74 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.145 -0.48 . . . . 0.0 109.932 -176.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -71.92 92.77 1.29 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.141 0.496 . . . . 0.0 111.552 -171.583 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 12.0 m170 -79.02 83.5 5.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.624 174.497 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 67.4 mtt-85 -73.65 165.69 24.64 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.305 0.574 . . . . 0.0 110.986 178.685 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 58.0 m-85 -96.31 178.34 5.41 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.299 -0.864 . . . . 0.0 109.17 176.316 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 48.6 t -82.31 133.59 50.18 Favored Pre-proline 0 C--N 1.321 -0.638 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 179.372 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -43.35 -60.76 0.68 Allowed 'Trans proline' 0 C--N 1.349 0.604 0 C-N-CA 122.753 2.302 . . . . 0.0 113.235 -171.494 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 54.2 mtm180 -87.57 -35.56 18.04 Favored 'General case' 0 CA--C 1.532 0.273 0 N-CA-C 112.448 0.536 . . . . 0.0 112.448 -174.608 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.54 ' HB3' ' HB ' ' A' ' 28' ' ' VAL . 4.3 m -83.54 -1.39 53.63 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 120.735 -0.386 . . . . 0.0 111.111 -178.882 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -42.2 -56.15 4.06 Favored Glycine 0 CA--C 1.523 0.534 0 O-C-N 123.524 0.515 . . . . 0.0 114.273 -173.059 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 48.3 Cg_endo -68.78 76.71 0.79 Allowed 'Trans proline' 0 CA--C 1.534 0.519 0 C-N-CA 122.34 2.026 . . . . 0.0 112.179 177.288 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 131.35 -25.49 4.04 Favored Glycine 0 C--N 1.333 0.402 0 CA-C-N 116.131 -0.486 . . . . 0.0 113.192 174.645 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.54 ' HB ' ' HB3' ' A' ' 24' ' ' CYS . 39.7 t -129.51 114.72 32.12 Favored 'Isoleucine or valine' 0 C--O 1.237 0.423 0 CA-C-N 117.114 0.457 . . . . 0.0 110.564 -179.428 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 20.2 p90 -72.92 -167.06 0.35 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.075 -179.444 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 33.7 tp -132.42 105.84 7.52 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 177.307 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.66 115.62 4.11 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.4 -175.245 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -88.19 125.35 34.58 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-O 121.183 0.516 . . . . 0.0 111.131 179.245 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 57.5 m-70 -124.31 151.74 43.91 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 107.917 -1.142 . . . . 0.0 107.917 169.349 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.02 -22.65 61.02 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.204 0.526 . . . . 0.0 110.227 179.177 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -81.56 -43.23 18.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.193 -0.912 . . . . 0.0 110.886 179.394 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.4 ' CB ' ' HA ' ' A' ' 47' ' ' PHE . 32.2 ptt180 -173.48 -179.9 1.97 Allowed 'General case' 0 CA--C 1.531 0.22 0 CA-C-O 121.241 0.543 . . . . 0.0 111.827 -167.715 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 82.1 m-85 -104.66 147.18 27.94 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 115.059 -0.973 . . . . 0.0 109.016 173.165 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 24.0 t -134.45 140.44 46.25 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-O 120.786 0.327 . . . . 0.0 110.8 -179.38 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.607 ' SG ' ' O ' ' A' ' 40' ' ' GLY . 42.6 t -139.42 125.87 20.37 Favored 'General case' 0 CA--C 1.514 -0.414 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.651 177.464 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.607 ' O ' ' SG ' ' A' ' 39' ' ' CYS . . . -70.47 176.91 34.25 Favored Glycine 0 N--CA 1.444 -0.814 0 N-CA-C 110.12 -1.192 . . . . 0.0 110.12 164.165 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.425 ' HB3' ' O ' ' A' ' 40' ' ' GLY . 35.4 ttt85 76.09 -44.21 0.49 Allowed 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 122.936 0.494 . . . . 0.0 112.168 175.097 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.511 ' SG ' ' HB2' ' A' ' 44' ' ' TYR . 9.6 p -127.66 -6.04 5.75 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 119.656 -0.818 . . . . 0.0 111.957 177.106 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 70.46 22.69 77.81 Favored Glycine 0 C--N 1.334 0.438 0 C-N-CA 120.435 -0.888 . . . . 0.0 112.292 174.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.511 ' HB2' ' SG ' ' A' ' 42' ' ' CYS . 62.3 t80 -59.12 104.92 0.28 Allowed 'General case' 0 C--O 1.236 0.383 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 177.036 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 6.1 m -125.99 108.39 11.35 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.123 -179.748 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -134.06 127.29 31.92 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.288 -177.181 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.47 ' C ' ' H ' ' A' ' 49' ' ' LYS . 70.2 m-85 -61.44 156.93 18.07 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.758 -177.1 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 54.0 mmtt -70.61 20.68 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.692 174.691 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.47 ' H ' ' C ' ' A' ' 47' ' ' PHE . 38.5 ttmt -71.95 92.51 1.28 Allowed 'General case' 0 C--O 1.234 0.279 0 C-N-CA 122.75 0.42 . . . . 0.0 109.876 179.407 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -67.74 100.6 0.94 Allowed 'General case' 0 C--O 1.235 0.304 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.078 -178.224 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.414 ' HE3' ' HB3' ' A' ' 51' ' ' LYS . 22.1 mtpp -127.14 -41.34 1.78 Allowed 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.843 176.471 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 61.6 tttm -109.93 116.46 31.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.784 177.301 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 35.7 t 69.8 173.35 0.3 Allowed 'General case' 0 CA--C 1.535 0.375 0 O-C-N 123.649 0.593 . . . . 0.0 110.833 179.684 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 44.3 mtmt -86.61 -49.0 7.84 Favored 'General case' 0 C--O 1.238 0.492 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 176.674 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 23.3 p . . . . . 0 C--O 1.251 1.155 0 CA-C-N 114.579 -1.192 . . . . 0.0 108.792 176.928 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_