data_6u6g_residue ############################ # Computer software used # ############################ save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 6u6g _Structure_validation_residue.Date_analyzed 2019-10-04 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 ' 7' ' ' LYS . . . . . 0.406 ' HA ' ' HD3' ' A' ' 8' ' ' PRO . 18.1 ptpt . . . . . 0 C--O 1.233 0.187 0 N-CA-C 110.356 -0.238 . . . . 74.44 110.356 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 7' ' ' LYS . 24.3 Cg_exo -64.86 -178.18 0.7 Allowed 'Trans proline' 0 C--N 1.35 0.609 0 C-N-CA 123.083 2.522 . . . . 75.23 113.155 -178.251 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 97.0 m -113.76 -179.34 3.61 Favored 'General case' 0 C--O 1.238 0.452 0 CA-C-N 115.919 -0.582 . . . . 72.43 110.768 178.702 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.607 HG12 ' HG ' ' A' ' 15' ' ' CYS . 0.2 OUTLIER -57.32 164.35 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.392 0 CA-C-N 116.035 -0.53 . . . . 70.44 111.747 178.387 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 14.8 m -70.58 160.19 32.96 Favored 'General case' 0 C--O 1.239 0.544 0 CA-C-N 115.729 -0.669 . . . . 60.5 111.569 -176.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -55.25 -35.03 64.55 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 115.775 -0.648 . . . . 53.42 110.767 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 51.5 mtpt -54.05 -38.6 65.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.523 -0.762 . . . . 75.52 110.655 176.51 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -89.78 -25.12 21.27 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.468 -0.787 . . . . 65.23 110.168 -176.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.607 ' HG ' HG12 ' A' ' 10' ' ' ILE . 36.9 m -79.95 9.29 5.55 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 115.89 -0.595 . . . . 55.21 111.48 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 48.9 m -102.87 177.33 4.87 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-O 120.77 0.319 . . . . 73.35 111.11 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 33.7 pt -66.22 -1.19 1.04 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.403 0 CA-C-N 116.117 -0.492 . . . . 74.34 112.255 -172.109 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 38.9 t -55.99 -36.08 43.27 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.239 0 CA-C-O 121.283 0.563 . . . . 73.51 109.89 173.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -101.25 12.07 38.19 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 115.481 -0.781 . . . . 61.2 111.091 179.402 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 77.88 -8.11 1.72 Allowed 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 123.649 0.78 . . . . 65.4 111.527 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 90.4 m-85 -94.13 173.22 7.76 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.421 -0.354 . . . . 74.04 110.979 178.643 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 11.3 ptt180 -153.58 98.92 2.27 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-O 121.46 0.648 . . . . 74.2 110.754 -179.134 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -137.49 163.9 30.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.837 -0.619 . . . . 73.11 110.038 179.002 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 53.6 ttt180 -103.91 112.13 24.97 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.357 -0.609 . . . . 75.22 109.357 178.659 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.43 ' HA ' ' O ' ' A' ' 29' ' ' TYR . 70.9 m -117.37 118.51 32.43 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.26 0.553 . . . . 73.43 110.152 -178.625 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 57.5 ttt180 -135.32 117.36 15.34 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.57 -0.741 . . . . 73.12 110.087 -175.202 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt 56.33 32.97 21.47 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 121.365 0.602 . . . . 75.12 110.526 -178.268 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 91.31 -20.95 37.48 Favored Glycine 0 N--CA 1.45 -0.381 0 CA-C-N 115.393 -0.821 . . . . 71.4 112.615 178.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.43 ' O ' ' HA ' ' A' ' 25' ' ' CYS . 4.3 t80 -71.4 128.04 34.55 Favored 'General case' 0 C--N 1.333 -0.151 0 N-CA-C 109.036 -0.727 . . . . 74.32 109.036 -179.406 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.2 p -115.39 118.34 32.95 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.924 0.393 . . . . 71.31 111.233 -174.335 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 18.2 m -135.9 128.87 47.1 Favored 'Isoleucine or valine' 0 C--O 1.233 0.225 0 CA-C-N 116.028 -0.533 . . . . 71.25 110.379 178.48 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 3.4 tmm_? -87.2 109.81 19.73 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 108.262 -1.014 . . . . 73.23 108.262 175.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 30.0 mmm180 . . . . . 0 C--N 1.325 -0.468 0 CA-C-N 115.969 -0.559 . . . . 75.21 111.688 -171.726 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.713 ' HB3' ' HZ3' ' A' ' 7' ' ' LYS . 6.3 ttpm? . . . . . 0 N--CA 1.456 -0.15 0 N-CA-C 110.534 -0.173 . . . . 74.44 110.534 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 81.9 Cg_endo -85.19 -169.7 0.66 Allowed 'Trans proline' 0 N--CA 1.456 -0.678 0 C-N-CA 122.577 2.184 . . . . 75.23 111.506 173.589 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.427 ' SG ' ' N ' ' A' ' 30' ' ' CYS . 32.7 m -113.61 -171.45 1.89 Allowed 'General case' 0 C--N 1.317 -0.808 0 N-CA-C 108.284 -1.006 . . . . 72.43 108.284 176.555 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.662 ' HB ' ' SG ' ' A' ' 15' ' ' CYS . 35.6 mt -52.98 138.45 12.14 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.394 0 N-CA-C 108.723 -0.843 . . . . 70.44 108.723 169.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 26.0 m -74.35 161.39 29.91 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 112.088 0.403 . . . . 60.5 112.088 -171.05 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -50.24 -50.03 51.15 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 115.63 -0.714 . . . . 53.42 110.664 -178.53 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.424 ' HE3' ' HB2' ' A' ' 13' ' ' LYS . 38.7 mtmt -62.84 -21.94 66.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 114.633 -1.167 . . . . 75.52 111.63 -176.096 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.568 ' HB2' HG21 ' A' ' 10' ' ' ILE . 29.6 mm-40 -98.59 -33.6 10.91 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.094 -0.503 . . . . 65.23 111.402 -173.493 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.662 ' SG ' ' HB ' ' A' ' 10' ' ' ILE . 61.7 m -80.24 -61.81 1.87 Allowed 'General case' 0 C--O 1.238 0.456 0 CA-C-O 120.87 0.367 . . . . 55.21 110.989 -179.153 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 13.5 t -81.25 81.49 7.41 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-O 121.627 0.727 . . . . 73.35 110.678 -171.548 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 48.7 mm -110.37 -42.76 5.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 N-CA-C 108.169 -1.049 . . . . 74.34 108.169 171.232 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 27.8 m -102.52 133.88 44.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 114.85 -1.068 . . . . 73.51 109.612 173.313 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -104.22 42.71 1.16 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.145 0.498 . . . . 61.2 109.933 -178.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -136.58 96.64 3.38 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.516 -0.765 . . . . 65.4 110.568 -178.626 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 87.9 t80 53.92 81.73 0.09 Allowed 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 115.641 -0.709 . . . . 74.04 110.865 175.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.6 tpp85 -156.03 165.73 35.58 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.113 -0.494 . . . . 74.2 110.439 -177.217 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.09 125.74 27.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.474 -0.33 . . . . 73.11 110.338 176.193 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 55.9 mtm180 -93.81 101.03 13.12 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 110.057 -0.349 . . . . 75.22 110.057 -178.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 61.0 m -89.72 125.03 35.12 Favored 'General case' 0 C--O 1.238 0.46 0 CA-C-N 116.222 -0.445 . . . . 73.43 110.361 179.624 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 61.4 mtp180 -127.54 134.13 49.76 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-N 115.994 -0.548 . . . . 73.12 110.277 178.218 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 67.2 mttm 60.73 32.59 20.24 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 115.835 -0.62 . . . . 75.12 110.866 175.691 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 83.49 -6.04 74.92 Favored Glycine 0 N--CA 1.45 -0.368 0 CA-C-N 115.576 -0.738 . . . . 71.4 113.324 178.658 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -108.01 156.9 18.72 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 117.38 0.59 . . . . 74.32 110.014 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.427 ' N ' ' SG ' ' A' ' 9' ' ' CYS . 9.2 p -106.34 128.16 53.8 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-O 121.178 0.513 . . . . 71.31 111.654 -173.25 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 60.8 t -117.08 138.92 46.17 Favored 'Isoleucine or valine' 0 C--O 1.237 0.446 0 CA-C-N 115.562 -0.745 . . . . 71.25 109.974 178.34 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 31.7 mmt180 -97.01 125.06 41.17 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 121.11 0.481 . . . . 73.23 110.822 -175.488 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 15.4 ttt180 . . . . . 0 C--N 1.325 -0.47 0 CA-C-N 115.263 -0.881 . . . . 75.21 110.902 178.15 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 61.7 tttm . . . . . 0 CA--C 1.531 0.232 0 CA-C-O 120.733 0.301 . . . . 74.44 110.276 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 67.9 Cg_endo -85.24 -164.83 0.25 Allowed 'Trans proline' 0 C--N 1.348 0.516 0 C-N-CA 123.033 2.489 . . . . 75.23 112.31 -178.189 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 56.0 m -119.43 -173.04 2.44 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.045 -0.525 . . . . 72.43 110.047 179.399 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 46.2 mm -85.6 154.44 3.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 N-CA-C 109.72 -0.474 . . . . 70.44 109.72 177.599 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 33.2 p -69.56 158.68 34.79 Favored 'General case' 0 C--O 1.24 0.591 0 CA-C-O 121.133 0.492 . . . . 60.5 111.986 -176.695 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.611 ' HA ' ' SG ' ' A' ' 15' ' ' CYS . 11.7 t70 -50.76 -32.06 18.6 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 115.166 -0.925 . . . . 53.42 111.025 178.876 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 58.8 tptt -52.88 -34.58 55.32 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 115.332 -0.849 . . . . 75.52 111.909 -178.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -108.39 -37.81 5.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.523 -0.308 . . . . 65.23 111.135 -177.461 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.611 ' SG ' ' HA ' ' A' ' 12' ' ' ASP . 21.1 p -80.26 19.66 0.74 Allowed 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 111.854 0.316 . . . . 55.21 111.854 -176.43 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 29.8 m -57.34 113.19 1.65 Allowed 'General case' 0 CA--C 1.533 0.316 0 N-CA-C 109.23 -0.655 . . . . 73.35 109.23 172.156 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 18.6 pt -67.9 83.99 0.12 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.325 0 CA-C-O 121.844 0.831 . . . . 74.34 113.05 -169.186 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 26.9 m -123.65 14.37 5.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.017 -0.992 . . . . 73.51 109.29 171.043 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.573 ' HG3' ' H ' ' A' ' 20' ' ' ASN . 40.4 tptt -110.09 -176.92 3.12 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 115.128 -0.942 . . . . 61.2 109.372 -176.156 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.573 ' H ' ' HG3' ' A' ' 19' ' ' LYS . 17.6 m120 -81.06 39.28 0.5 Allowed 'General case' 0 N--CA 1.47 0.553 0 CA-C-O 120.961 0.41 . . . . 65.4 111.195 178.39 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 6.6 t80 -151.13 179.59 8.15 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 108.954 -0.758 . . . . 74.04 108.954 179.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 20.4 ptt180 -156.15 103.26 2.18 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-O 121.302 0.572 . . . . 74.2 111.835 -175.361 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.43 ' HA ' ' O ' ' A' ' 31' ' ' VAL . . . -148.32 119.9 8.0 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 115.513 -0.767 . . . . 73.11 110.343 178.4 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 18.1 tpp85 -93.69 110.15 21.78 Favored 'General case' 0 C--N 1.332 -0.184 0 N-CA-C 109.287 -0.634 . . . . 75.22 109.287 177.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.621 ' HA ' ' HA ' ' A' ' 30' ' ' CYS . 50.9 m -84.58 133.59 34.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.295 -0.411 . . . . 73.43 111.673 -174.003 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.407 ' HG2' ' HG2' ' A' ' 27' ' ' LYS . 20.9 ttt180 -159.49 144.85 15.73 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.148 -0.686 . . . . 73.12 109.148 178.743 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.407 ' HG2' ' HG2' ' A' ' 26' ' ' ARG . 34.2 mmtp 58.84 32.77 22.55 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 116.215 -0.448 . . . . 75.12 110.639 -178.764 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 79.97 -11.96 32.64 Favored Glycine 0 CA--C 1.52 0.367 0 CA-C-N 115.847 -0.615 . . . . 71.4 112.934 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 31.2 m-85 -99.33 171.32 8.05 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 110.066 -0.346 . . . . 74.32 110.066 -179.734 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.621 ' HA ' ' HA ' ' A' ' 25' ' ' CYS . 27.0 p -128.36 118.23 22.82 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 110.04 -0.356 . . . . 71.31 110.04 175.813 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.43 ' O ' ' HA ' ' A' ' 23' ' ' ALA . 23.3 t -82.67 102.14 8.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 N-CA-C 109.098 -0.705 . . . . 71.25 109.098 178.163 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 15.7 ptp180 -94.65 116.12 28.37 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.07 -0.968 . . . . 73.23 110.43 -176.55 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 20.1 tpp180 . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 115.725 -0.67 . . . . 75.21 110.598 -176.109 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 21.5 pttm . . . . . 0 C--O 1.235 0.313 0 N-CA-C 109.888 -0.412 . . . . 74.44 109.888 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_exo -65.0 -155.01 0.03 OUTLIER 'Trans proline' 0 CA--C 1.535 0.553 0 C-N-CA 122.842 2.362 . . . . 75.23 112.012 176.167 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 59.3 m -113.75 -177.35 3.11 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.95 0.405 . . . . 72.43 110.399 -177.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.539 ' H ' HD12 ' A' ' 10' ' ' ILE . 0.2 OUTLIER -68.99 167.76 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.779 -0.646 . . . . 70.44 110.298 175.116 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 17.1 m -71.8 160.48 32.51 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.238 -0.437 . . . . 60.5 111.108 -177.256 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.633 ' HA ' ' SG ' ' A' ' 15' ' ' CYS . 21.9 p-10 -59.85 -39.43 85.16 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.945 -0.57 . . . . 53.42 111.422 -176.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.465 ' HD3' ' N ' ' A' ' 14' ' ' GLU . 0.0 OUTLIER -66.98 -15.85 63.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.118 -0.492 . . . . 75.52 111.201 177.046 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.465 ' N ' ' HD3' ' A' ' 13' ' ' LYS . 9.3 tp10 -96.58 -38.41 9.98 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.166 -0.47 . . . . 65.23 110.617 -174.614 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.633 ' SG ' ' HA ' ' A' ' 12' ' ' ASP . 4.8 p -73.15 -20.16 60.97 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 116.491 -0.322 . . . . 55.21 111.382 179.582 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 13.6 p -90.88 91.27 8.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.962 0.41 . . . . 73.35 109.969 176.266 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 57.8 mt -96.64 -75.87 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.142 -0.481 . . . . 74.34 111.008 -177.079 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.485 HG22 ' HE ' ' A' ' 22' ' ' ARG . 31.4 m -91.26 145.87 6.93 Favored 'Isoleucine or valine' 0 C--O 1.233 0.22 0 CA-C-N 116.344 -0.389 . . . . 73.51 110.924 -177.087 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 31.9 mtmm -81.81 94.15 6.99 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.714 -0.675 . . . . 61.2 110.722 -177.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -171.41 -77.69 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 114.984 -1.007 . . . . 65.4 108.88 177.752 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 79.6 m-85 -153.55 137.93 16.69 Favored 'General case' 0 CA--C 1.512 -0.484 0 N-CA-C 109.004 -0.739 . . . . 74.04 109.004 173.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.485 ' HE ' HG22 ' A' ' 18' ' ' VAL . 8.9 mmt180 -156.08 166.74 32.55 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 115.627 -0.715 . . . . 74.2 109.978 -173.583 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.72 132.18 48.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.307 -0.406 . . . . 73.11 110.401 -177.626 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 35.2 mmt180 -95.61 117.18 29.98 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.632 -0.507 . . . . 75.22 109.632 -178.055 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.524 ' HB2' ' HA ' ' A' ' 12' ' ' ASP . 61.1 m -103.74 143.71 32.43 Favored 'General case' 0 C--O 1.238 0.466 0 CA-C-O 121.113 0.482 . . . . 73.43 111.202 -174.655 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 28.6 ptt180 -151.83 127.97 10.47 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 115.23 -0.896 . . . . 73.12 109.773 -177.448 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 56.18 32.43 20.2 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 122.9 0.48 . . . . 75.12 111.278 -178.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 85.37 -11.09 61.94 Favored Glycine 0 CA--C 1.521 0.434 0 C-N-CA 121.277 -0.487 . . . . 71.4 113.315 179.247 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 51.0 m-85 -90.62 140.38 29.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 117.187 0.494 . . . . 74.32 109.672 178.663 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 28.6 p -106.58 131.53 53.63 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.997 0.427 . . . . 71.31 110.937 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 33.9 t -103.6 109.79 28.1 Favored 'Isoleucine or valine' 0 C--O 1.237 0.44 0 N-CA-C 109.21 -0.663 . . . . 71.25 109.21 174.702 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 13.7 ptp180 -133.3 119.05 19.25 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.574 -0.739 . . . . 73.23 110.121 -177.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 24.2 mtm180 . . . . . 0 C--O 1.233 0.215 0 N-CA-C 109.831 -0.433 . . . . 75.21 109.831 178.224 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 92.9 mttt . . . . . 0 C--O 1.237 0.433 0 N-CA-C 109.725 -0.472 . . . . 74.44 109.725 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.423 ' HB3' ' HA ' ' A' ' 29' ' ' TYR . 14.0 Cg_exo -70.37 -151.24 0.03 OUTLIER 'Trans proline' 0 CA--C 1.534 0.52 0 C-N-CA 123.237 2.625 . . . . 75.23 111.739 177.336 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.543 ' N ' ' HG ' ' A' ' 30' ' ' CYS . 62.9 m -126.67 175.11 8.21 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 116.634 -0.257 . . . . 72.43 110.382 -178.002 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 23.8 mm -68.13 167.24 1.65 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.443 0 N-CA-C 109.319 -0.623 . . . . 70.44 109.319 177.343 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 20.2 m -55.19 160.43 2.16 Favored 'General case' 0 C--O 1.243 0.712 0 CA-C-O 121.714 0.769 . . . . 60.5 112.733 -176.114 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -56.16 -33.24 65.04 Favored 'General case' 0 N--CA 1.461 0.117 0 CA-C-N 115.046 -0.979 . . . . 53.42 111.621 -176.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -55.95 -36.83 68.23 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 121.187 0.518 . . . . 75.52 110.459 177.152 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -80.91 -43.74 19.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.583 -0.735 . . . . 65.23 109.683 -179.761 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 70.7 m -69.41 -15.05 63.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.688 -0.687 . . . . 55.21 111.633 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 45.1 t -67.74 85.46 0.21 Allowed 'General case' 0 C--O 1.236 0.379 0 CA-C-O 121.113 0.483 . . . . 73.35 109.927 178.306 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 31.0 pt -118.53 -168.81 0.47 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.548 0 CA-C-N 115.478 -0.783 . . . . 74.34 110.967 -178.244 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 30.3 m -60.38 153.2 4.82 Favored 'Isoleucine or valine' 0 C--O 1.235 0.317 0 CA-C-N 116.027 -0.533 . . . . 73.51 110.88 177.661 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 35.4 mttm -76.77 -5.66 49.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.265 0.555 . . . . 61.2 110.464 -176.311 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -67.51 -26.12 66.19 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.099 -0.955 . . . . 65.4 110.202 -179.23 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 59.8 m-85 -114.06 145.8 41.09 Favored 'General case' 0 C--O 1.236 0.343 0 N-CA-C 109.043 -0.725 . . . . 74.04 109.043 170.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.599 ' HA ' ' NE ' ' A' ' 22' ' ' ARG . 4.9 mmp_? -114.35 108.22 16.61 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.745 0.783 . . . . 74.2 111.901 -177.327 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -153.98 112.27 3.59 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 114.297 -1.319 . . . . 73.11 108.781 177.143 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 58.6 ttt180 -108.56 100.98 10.17 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.924 0.392 . . . . 75.22 110.224 -175.389 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.553 ' HA ' ' HA ' ' A' ' 30' ' ' CYS . 74.2 m -94.41 145.85 24.48 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.829 -0.623 . . . . 73.43 110.481 179.15 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.738 ' HG3' ' HG3' ' A' ' 27' ' ' LYS . 21.5 tpp180 -170.98 144.62 2.18 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.186 -0.672 . . . . 73.12 109.186 177.378 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.738 ' HG3' ' HG3' ' A' ' 26' ' ' ARG . 26.4 mtpp 58.54 32.35 22.04 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 115.912 -0.585 . . . . 75.12 111.268 175.79 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 86.44 -14.17 55.71 Favored Glycine 0 CA--C 1.522 0.477 0 CA-C-N 115.973 -0.558 . . . . 71.4 113.554 178.37 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.423 ' HA ' ' HB3' ' A' ' 8' ' ' PRO . 74.3 m-85 -103.75 168.87 8.86 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 117.247 0.523 . . . . 74.32 110.217 -178.861 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.553 ' HA ' ' HA ' ' A' ' 25' ' ' CYS . 26.5 p -146.01 121.99 10.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.716 0.293 . . . . 71.31 111.733 -177.203 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 45.2 t -90.2 106.83 17.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 N-CA-C 108.951 -0.759 . . . . 71.25 108.951 171.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 10.1 ptt180 -111.82 116.22 30.32 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.801 -0.636 . . . . 73.23 110.656 -174.545 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.474 ' HE ' ' HA ' ' A' ' 33' ' ' ARG . 2.1 tpm_? . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.035 -0.53 . . . . 75.21 109.95 179.317 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 16.3 ptpt . . . . . 0 C--O 1.235 0.298 0 N-CA-C 110.085 -0.339 . . . . 74.44 110.085 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 64.3 Cg_endo -71.44 -177.6 2.51 Favored 'Trans proline' 0 C--N 1.349 0.562 0 C-N-CA 122.705 2.27 . . . . 75.23 112.793 -176.64 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.557 ' SG ' ' N ' ' A' ' 30' ' ' CYS . 35.1 m -113.86 164.9 13.15 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.548 -0.751 . . . . 72.43 110.204 -178.063 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.458 ' O ' ' SG ' ' A' ' 15' ' ' CYS . 9.6 tp -89.1 168.0 1.6 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.638 0 CA-C-N 116.111 -0.495 . . . . 70.44 110.762 -175.637 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.424 ' N ' HG13 ' A' ' 10' ' ' ILE . 15.8 m -58.11 158.65 6.65 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-O 121.411 0.624 . . . . 60.5 112.511 -178.395 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -56.4 -42.42 77.93 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 115.473 -0.785 . . . . 53.42 112.188 -173.163 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.67 ' HE3' ' HA ' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -61.8 -23.05 65.97 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 120.729 0.3 . . . . 75.52 110.894 -179.347 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 34.2 mm-40 -95.93 -23.55 16.81 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.15 -0.477 . . . . 65.23 110.401 178.34 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.458 ' SG ' ' O ' ' A' ' 10' ' ' ILE . 70.8 m -75.82 -5.38 45.63 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.006 -0.543 . . . . 55.21 110.709 175.408 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 20.2 m -71.77 81.81 0.88 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.032 0.444 . . . . 73.35 110.408 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.473 HG13 ' HG2' ' A' ' 19' ' ' LYS . 8.0 tp -120.37 121.96 66.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.49 . . . . 74.34 109.969 178.355 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 58.3 t -84.5 107.55 15.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.098 -0.501 . . . . 73.51 110.439 -178.278 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.473 ' HG2' HG13 ' A' ' 17' ' ' ILE . 34.6 mmtp -138.5 -171.76 3.13 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-N 115.999 -0.546 . . . . 61.2 109.92 179.456 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -69.15 -12.99 62.16 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-O 121.45 0.643 . . . . 65.4 110.091 177.121 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 93.3 m-85 -125.26 173.88 8.49 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 115.17 -0.923 . . . . 74.04 108.996 172.692 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 11.6 ptt85 -145.61 151.26 37.8 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 110.199 -0.297 . . . . 74.2 110.199 173.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.603 ' HB1' ' HG2' ' A' ' 32' ' ' ARG . . . -118.51 159.3 23.77 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 115.974 -0.557 . . . . 73.11 111.923 -172.748 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 29.8 mmt180 -126.89 126.85 43.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.375 -0.83 . . . . 75.22 108.785 172.603 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.657 ' SG ' ' HB3' ' A' ' 30' ' ' CYS . 64.1 m -115.28 133.85 55.66 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.767 0.318 . . . . 73.43 111.365 -174.386 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 16.2 ptp180 -157.05 141.89 16.92 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 115.742 -0.663 . . . . 73.12 109.941 176.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 46.1 mtmt 51.93 33.11 11.01 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 123.215 0.606 . . . . 75.12 111.678 -179.322 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 75.25 20.14 79.19 Favored Glycine 0 CA--C 1.522 0.517 0 C-N-CA 121.102 -0.57 . . . . 71.4 113.183 178.483 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.427 ' O ' ' HA ' ' A' ' 25' ' ' CYS . 68.9 m-85 -122.74 128.38 50.43 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.901 -0.407 . . . . 74.32 109.901 174.678 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.657 ' HB3' ' SG ' ' A' ' 25' ' ' CYS . 15.0 p -113.21 118.07 33.65 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 110.153 -0.314 . . . . 71.31 110.153 177.749 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 60.1 t -109.65 127.91 66.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.262 -0.426 . . . . 71.25 110.549 -179.47 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.603 ' HG2' ' HB1' ' A' ' 23' ' ' ALA . 78.3 mtt85 -105.24 109.78 21.89 Favored 'General case' 0 C--O 1.236 0.368 0 N-CA-C 109.476 -0.564 . . . . 73.23 109.476 175.891 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.326 -0.417 0 N-CA-C 109.664 -0.495 . . . . 75.21 109.664 -178.555 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 48.4 mtmt . . . . . 0 C--O 1.235 0.306 0 N-CA-C 110.481 -0.192 . . . . 74.44 110.481 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -61.23 174.09 2.15 Favored 'Trans proline' 0 C--N 1.349 0.571 0 C-N-CA 122.968 2.445 . . . . 75.23 112.338 177.473 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.3 p -123.52 -179.72 4.45 Favored 'General case' 0 C--O 1.237 0.429 0 CA-C-N 116.162 -0.472 . . . . 72.43 111.036 -179.163 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 14.3 mm -81.75 162.5 3.43 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.418 0 CA-C-N 116.04 -0.527 . . . . 70.44 110.893 -173.743 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 38.4 p -66.95 164.54 17.38 Favored 'General case' 0 C--O 1.242 0.709 0 N-CA-C 113.189 0.811 . . . . 60.5 113.189 -173.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.888 ' HA ' ' SG ' ' A' ' 15' ' ' CYS . 10.9 p-10 -59.75 -34.19 72.64 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 114.895 -1.048 . . . . 53.42 110.979 -179.669 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 38.4 ttmt -59.21 -21.83 60.1 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 115.825 -0.625 . . . . 75.52 111.066 179.21 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -102.89 -46.78 4.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 65.23 110.515 -176.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.888 ' SG ' ' HA ' ' A' ' 12' ' ' ASP . 6.7 p -70.36 -29.84 66.62 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 116.499 -0.319 . . . . 55.21 111.6 -177.676 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.779 ' HA ' ' HD3' ' A' ' 19' ' ' LYS . 71.1 m -131.72 117.16 18.24 Favored 'General case' 0 CA--C 1.53 0.186 0 CA-C-O 120.756 0.312 . . . . 73.35 111.2 179.558 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 8.9 tt -156.91 116.88 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.264 -0.425 . . . . 74.34 110.199 175.256 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 10.1 m 40.58 29.34 0.11 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.438 0 C-N-CA 124.369 1.068 . . . . 73.51 113.57 177.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.779 ' HD3' ' HA ' ' A' ' 16' ' ' SER . 20.1 ptmt -108.46 163.11 13.5 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.631 -0.713 . . . . 61.2 109.931 -179.087 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -80.97 -28.2 35.72 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 120.79 0.329 . . . . 65.4 110.497 -178.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.572 ' HB2' ' HE2' ' A' ' 19' ' ' LYS . 61.6 m-85 -75.85 154.28 36.23 Favored 'General case' 0 C--O 1.233 0.216 0 N-CA-C 109.392 -0.596 . . . . 74.04 109.392 176.728 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 91.1 mtt180 -135.64 116.66 14.29 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.873 0.368 . . . . 74.2 111.643 -169.574 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -137.76 128.8 27.41 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.696 -0.683 . . . . 73.11 110.042 176.638 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 27.5 ttm180 -101.26 100.94 11.52 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.218 0.532 . . . . 75.22 109.832 176.319 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.706 ' SG ' ' SG ' ' A' ' 30' ' ' CYS . 59.4 m -93.82 121.07 34.9 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.474 -0.785 . . . . 73.43 109.73 179.376 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.605 ' HG3' ' HG3' ' A' ' 27' ' ' LYS . 26.2 tpt180 -158.13 144.65 17.54 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.508 -0.314 . . . . 73.12 110.688 -174.582 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.605 ' HG3' ' HG3' ' A' ' 26' ' ' ARG . 95.0 mttt 60.38 32.62 20.69 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 116.092 -0.504 . . . . 75.12 110.937 175.657 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 84.82 -12.99 55.66 Favored Glycine 0 N--CA 1.453 -0.227 0 CA-C-N 115.861 -0.609 . . . . 71.4 112.736 178.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 64.8 m-85 -102.07 172.28 7.0 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.857 -0.423 . . . . 74.32 109.857 -178.036 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.706 ' SG ' ' SG ' ' A' ' 25' ' ' CYS . 74.8 m -144.43 117.92 9.12 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.366 -0.379 . . . . 71.31 110.361 177.475 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 4.9 p -109.21 114.96 48.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 121.313 0.578 . . . . 71.25 110.229 176.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 38.2 ptt180 -114.87 118.34 33.24 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.852 -0.613 . . . . 73.23 109.836 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 10.8 tpt85 . . . . . 0 C--N 1.325 -0.48 0 CA-C-N 115.998 -0.547 . . . . 75.21 110.25 -173.404 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 65.7 pttt . . . . . 0 C--O 1.236 0.374 0 CA-C-O 120.46 0.172 . . . . 74.44 111.1 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_exo -68.04 171.04 13.11 Favored 'Trans proline' 0 C--O 1.238 0.488 0 C-N-CA 122.743 2.295 . . . . 75.23 111.17 171.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 58.1 m -113.76 -178.59 3.41 Favored 'General case' 0 C--O 1.239 0.521 0 CA-C-O 120.925 0.393 . . . . 72.43 111.024 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.463 ' O ' ' SG ' ' A' ' 15' ' ' CYS . 40.0 mt -71.07 174.76 0.69 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.446 0 N-CA-C 108.562 -0.903 . . . . 70.44 108.562 174.097 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 5.8 m -55.38 155.7 5.0 Favored 'General case' 0 C--O 1.24 0.604 0 CA-C-O 121.114 0.483 . . . . 60.5 111.551 -178.55 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -58.36 -31.36 67.55 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 115.738 -0.664 . . . . 53.42 110.838 -175.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 52.4 mtpt -62.33 -27.95 69.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.39 -0.823 . . . . 75.52 110.752 179.741 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 34.9 mm-40 -102.0 -20.99 14.58 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.991 -0.55 . . . . 65.23 110.843 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.463 ' SG ' ' O ' ' A' ' 10' ' ' ILE . 98.0 m -60.13 -11.74 6.82 Favored 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 112.458 0.54 . . . . 55.21 112.458 -179.279 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 24.4 p -69.16 81.56 0.34 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.291 0.567 . . . . 73.35 109.807 176.205 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 68.2 mt -98.67 -55.28 6.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.525 -0.761 . . . . 74.34 110.005 179.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.627 HG13 ' H ' ' A' ' 20' ' ' ASN . 46.8 t -61.33 136.46 24.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 115.617 -0.719 . . . . 73.51 110.534 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 16.1 tppt? -69.59 -3.27 14.22 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-O 121.249 0.547 . . . . 61.2 111.493 -176.547 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.627 ' H ' HG13 ' A' ' 18' ' ' VAL . 19.8 m120 -97.78 3.11 50.07 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.749 -0.659 . . . . 65.4 109.946 177.296 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 88.4 m-85 53.91 17.77 1.43 Allowed 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 123.678 0.791 . . . . 74.04 112.557 178.321 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 6.9 tpp180 -93.59 85.01 4.76 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-O 121.428 0.632 . . . . 74.2 110.483 -176.756 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -164.23 153.21 13.47 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 114.918 -1.037 . . . . 73.11 109.328 176.198 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 45.5 ttp180 -147.56 132.72 18.34 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.855 0.36 . . . . 75.22 111.172 174.391 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.458 ' HA ' ' O ' ' A' ' 29' ' ' TYR . 81.1 m -118.09 135.14 54.38 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.772 -0.649 . . . . 73.43 110.362 174.565 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 19.3 tpt180 -149.71 136.28 19.24 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.018 -0.734 . . . . 73.12 109.018 179.03 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 60.4 mttp 51.62 32.4 9.1 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 121.419 0.628 . . . . 75.12 109.869 -175.129 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 84.88 -27.42 4.9 Favored Glycine 0 N--CA 1.451 -0.341 0 CA-C-N 115.272 -0.876 . . . . 71.4 113.053 -178.467 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.458 ' O ' ' HA ' ' A' ' 25' ' ' CYS . 8.2 t80 -69.01 146.87 52.35 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 117.088 0.444 . . . . 74.32 110.621 -176.187 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 3.0 m -122.92 137.31 54.98 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.21 -0.45 . . . . 71.31 110.802 -171.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 8.1 p -129.19 129.57 67.63 Favored 'Isoleucine or valine' 0 C--O 1.24 0.6 0 N-CA-C 109.98 -0.378 . . . . 71.25 109.98 174.048 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 5.6 ptp180 -129.88 132.75 46.52 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 115.849 -0.614 . . . . 73.23 110.467 -178.055 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 5.3 mmp_? . . . . . 0 C--O 1.236 0.342 0 N-CA-C 109.859 -0.423 . . . . 75.21 109.859 178.129 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.435 ' HA ' ' HD3' ' A' ' 8' ' ' PRO . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.183 0 N-CA-C 109.807 -0.442 . . . . 74.44 109.807 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' A' ' 7' ' ' LYS . 21.2 Cg_exo -66.15 166.11 22.11 Favored 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 122.599 2.199 . . . . 75.23 112.048 178.657 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 2.3 p -143.98 -177.21 5.32 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.079 -0.509 . . . . 72.43 110.654 -177.394 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.447 ' CG2' ' HB2' ' A' ' 14' ' ' GLU . 16.9 mt -75.59 160.86 4.96 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.435 0 CA-C-N 116.163 -0.471 . . . . 70.44 110.933 -174.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 16.0 p -89.73 177.6 6.48 Favored 'General case' 0 C--O 1.246 0.9 0 N-CA-C 113.143 0.794 . . . . 60.5 113.143 -173.186 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -49.86 -43.31 49.0 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 115.251 -0.886 . . . . 53.42 110.763 -176.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.5 tppp? -49.88 -33.31 16.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 114.991 -1.004 . . . . 75.52 111.934 -175.632 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.447 ' HB2' ' CG2' ' A' ' 10' ' ' ILE . 42.0 mt-10 -116.74 -8.95 11.35 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 116.541 -0.299 . . . . 65.23 111.441 -174.217 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 71.5 m -80.96 -11.78 59.51 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 116.51 -0.314 . . . . 55.21 110.774 170.426 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 35.9 m -68.56 85.57 0.3 Allowed 'General case' 0 CA--C 1.535 0.402 0 CA-C-O 120.953 0.406 . . . . 73.35 110.465 178.213 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.626 HG21 ' H ' ' A' ' 19' ' ' LYS . 50.0 mm -121.25 147.85 24.92 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.32 0 CA-C-N 115.831 -0.622 . . . . 74.34 109.953 -179.476 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 60.3 t -58.72 -30.51 42.28 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.335 0 CA-C-O 120.962 0.41 . . . . 73.51 111.326 -179.224 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.626 ' H ' HG21 ' A' ' 17' ' ' ILE . 54.7 mtmt -78.54 -3.72 45.08 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 116.181 -0.463 . . . . 61.2 111.435 -179.04 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 85.0 m-20 -110.0 82.56 1.61 Allowed 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 109.312 -0.625 . . . . 65.4 109.312 178.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 74.0 m-85 -57.18 -31.59 65.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.515 -0.766 . . . . 74.04 111.225 -178.15 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 3.9 tmm_? -156.03 106.56 2.43 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.564 -0.532 . . . . 74.2 109.564 177.087 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -154.21 148.28 25.74 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.0 -0.545 . . . . 73.11 110.365 179.184 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 72.1 mtt85 -144.21 123.77 13.23 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 122.838 0.455 . . . . 75.22 109.829 178.545 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.466 ' SG ' ' SG ' ' A' ' 30' ' ' CYS . 31.9 m -119.37 120.45 36.93 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.469 -0.567 . . . . 73.43 109.469 -179.213 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 15.5 ttm180 -147.84 138.6 23.22 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 121.109 -0.236 . . . . 73.12 111.1 -169.638 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 68.4 mttm 54.97 33.19 19.63 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 115.872 -0.604 . . . . 75.12 111.651 177.534 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 93.02 -15.45 62.83 Favored Glycine 0 CA--C 1.516 0.118 0 CA-C-N 115.87 -0.605 . . . . 71.4 113.096 176.36 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 71.3 m-85 -93.74 150.87 20.04 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 110.092 -0.336 . . . . 74.32 110.092 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.466 ' SG ' ' SG ' ' A' ' 25' ' ' CYS . 84.5 m -124.95 123.3 39.59 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-O 120.904 0.383 . . . . 71.31 110.843 176.846 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 48.9 t -110.24 117.54 54.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.721 -0.672 . . . . 71.25 109.779 177.092 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 30.2 ttm180 -136.94 145.5 44.31 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.06 -0.718 . . . . 73.23 109.06 179.145 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 16.7 tpt180 . . . . . 0 C--N 1.328 -0.33 0 CA-C-O 120.942 0.401 . . . . 75.21 110.023 179.469 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 20.1 ptmt . . . . . 0 CA--C 1.533 0.314 0 CA-C-O 120.745 0.307 . . . . 74.44 110.568 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 69.8 Cg_endo -85.85 -175.25 1.8 Allowed 'Trans proline' 0 C--O 1.236 0.423 0 C-N-CA 122.932 2.421 . . . . 75.23 112.018 178.36 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.433 ' O ' ' HA2' ' A' ' 28' ' ' GLY . 0.8 OUTLIER -144.66 -175.24 4.58 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.233 -0.44 . . . . 72.43 110.949 -178.173 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.0 pp -86.48 179.74 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 N-CA-C 112.631 0.604 . . . . 70.44 112.631 -174.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 54.9 p -94.91 178.35 5.6 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-N 115.5 -0.773 . . . . 60.5 111.256 -177.616 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.529 ' HA ' ' HB3' ' A' ' 15' ' ' CYS . 27.8 m-20 -50.83 -29.67 12.33 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 115.727 -0.67 . . . . 53.42 111.428 178.517 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 32.9 mmtp -65.05 -7.81 13.61 Favored 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 112.431 0.53 . . . . 75.52 112.431 -175.196 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -130.59 -28.8 2.01 Favored 'General case' 0 N--CA 1.47 0.539 0 N-CA-C 109.279 -0.637 . . . . 65.23 109.279 172.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.605 ' SG ' ' HB1' ' A' ' 23' ' ' ALA . 44.4 t -66.4 -51.72 54.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.321 -0.854 . . . . 55.21 110.514 177.249 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 18.9 t -96.42 83.52 3.55 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-O 121.502 0.668 . . . . 73.35 109.999 -179.366 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 7.3 tp -131.65 -34.02 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.216 -0.902 . . . . 74.34 109.534 175.338 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 27.1 m -91.88 140.94 15.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.814 -0.63 . . . . 73.51 110.451 177.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 16.9 ptpt -97.93 11.78 36.29 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.881 -0.599 . . . . 61.2 110.184 176.591 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -72.18 -37.4 69.31 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 115.684 -0.689 . . . . 65.4 110.651 179.654 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 43.0 p90 -146.91 176.97 9.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.986 -0.552 . . . . 74.04 110.482 -179.003 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.637 ' HG3' ' HB2' ' A' ' 33' ' ' ARG . 13.4 ptt180 -109.24 102.2 11.16 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.859 -0.61 . . . . 74.2 110.621 -177.006 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.605 ' HB1' ' SG ' ' A' ' 15' ' ' CYS . . . -107.05 123.03 47.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.784 -0.644 . . . . 73.11 110.475 -179.71 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.97 103.17 11.62 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.228 -0.656 . . . . 75.22 109.228 177.291 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.45 ' HA ' ' HA ' ' A' ' 30' ' ' CYS . 59.4 m -121.2 118.43 29.62 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.874 -0.417 . . . . 73.43 109.874 -178.832 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 19.1 tpt180 -143.07 141.53 31.29 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.757 -0.201 . . . . 73.12 110.842 -174.417 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 33.0 mtmm 54.35 33.01 17.53 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 123.337 0.655 . . . . 75.12 112.136 178.408 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.433 ' HA2' ' O ' ' A' ' 9' ' ' CYS . . . 76.34 14.71 82.09 Favored Glycine 0 CA--C 1.517 0.199 0 CA-C-N 116.176 -0.465 . . . . 71.4 113.271 177.166 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 42.0 t80 -124.38 128.05 48.49 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.496 -0.927 . . . . 74.32 108.496 175.381 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.45 ' HA ' ' HA ' ' A' ' 25' ' ' CYS . 4.8 p -120.56 133.44 55.39 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.569 0.581 . . . . 71.31 112.569 -169.879 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 10.1 m -133.3 119.1 34.1 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.249 0 CA-C-N 115.677 -0.692 . . . . 71.25 109.983 172.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 20.1 ptt180 -101.05 118.65 37.41 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 116.253 -0.431 . . . . 73.23 110.181 179.168 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.637 ' HB2' ' HG3' ' A' ' 22' ' ' ARG . 9.1 mmm180 . . . . . 0 C--O 1.235 0.299 0 N-CA-C 109.395 -0.594 . . . . 75.21 109.395 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 48.7 mtmt . . . . . 0 C--O 1.233 0.188 0 CA-C-O 120.619 0.247 . . . . 74.44 111.396 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.426 ' HB2' ' O ' ' A' ' 28' ' ' GLY . 85.5 Cg_endo -80.22 -158.9 0.1 OUTLIER 'Trans proline' 0 C--N 1.35 0.654 0 C-N-CA 122.781 2.321 . . . . 75.23 110.95 171.697 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 56.3 m -136.31 -173.72 3.48 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-O 120.627 0.251 . . . . 72.43 110.425 179.633 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.598 HG12 ' SG ' ' A' ' 15' ' ' CYS . 0.2 OUTLIER -55.38 156.11 1.07 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.409 0 CA-C-N 115.932 -0.576 . . . . 70.44 111.22 176.884 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 61.7 p -71.71 174.33 6.95 Favored 'General case' 0 C--O 1.241 0.619 0 N-CA-C 112.562 0.578 . . . . 60.5 112.562 -171.564 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -50.61 -50.04 55.13 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 115.149 -0.932 . . . . 53.42 111.134 -177.78 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 24.2 tptm -61.32 -24.45 66.45 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.475 -0.784 . . . . 75.52 111.398 -177.625 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -94.12 -29.3 15.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.314 -0.403 . . . . 65.23 110.954 -174.623 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.598 ' SG ' HG12 ' A' ' 10' ' ' ILE . 77.9 m -82.18 79.69 8.6 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-O 120.97 0.414 . . . . 55.21 110.576 177.308 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.402 ' O ' ' HB2' ' A' ' 20' ' ' ASN . 40.0 t -95.39 165.3 12.43 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.874 -0.603 . . . . 73.35 110.634 177.642 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 39.8 pt -78.06 1.36 2.35 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.295 0 CA-C-N 116.097 -0.502 . . . . 74.34 111.681 -176.524 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 57.4 t -48.06 -34.22 4.44 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.52 0 CA-C-O 121.002 0.43 . . . . 73.51 111.533 -179.47 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -148.75 6.84 0.73 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.986 -0.552 . . . . 61.2 110.374 175.56 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.45 ' HB3' ' HB2' ' A' ' 23' ' ' ALA . 91.1 m-20 -121.42 74.9 1.14 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.012 -0.54 . . . . 65.4 110.284 -176.645 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 69.1 t80 -74.33 -41.73 60.62 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.26 -0.644 . . . . 74.04 109.26 177.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 65.6 mtt180 -106.79 85.24 2.12 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-N 115.638 -0.71 . . . . 74.2 109.632 175.765 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.45 ' HB2' ' HB3' ' A' ' 20' ' ' ASN . . . -164.14 131.35 3.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.641 -0.709 . . . . 73.11 110.148 179.467 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 40.2 ttt85 -123.66 100.99 7.06 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 110.01 -0.367 . . . . 75.22 110.01 176.563 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.451 ' HA ' ' O ' ' A' ' 29' ' ' TYR . 60.7 m -106.4 116.25 31.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.796 -0.638 . . . . 73.43 109.384 175.199 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 58.2 mtp85 -137.61 130.89 30.79 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.425 -0.583 . . . . 73.12 109.425 174.527 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm 57.9 33.04 22.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.828 -0.624 . . . . 75.12 110.059 -177.684 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.426 ' O ' ' HB2' ' A' ' 8' ' ' PRO . . . 82.89 -15.88 29.85 Favored Glycine 0 C--N 1.331 0.271 0 CA-C-N 115.618 -0.719 . . . . 71.4 113.041 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.451 ' O ' ' HA ' ' A' ' 25' ' ' CYS . 81.3 m-85 -81.32 128.03 33.38 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 117.051 0.426 . . . . 74.32 109.875 -178.763 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 8.7 p -120.13 128.86 53.83 Favored 'General case' 0 C--O 1.238 0.487 0 CA-C-N 115.976 -0.556 . . . . 71.31 111.768 -170.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 57.6 t -129.66 121.93 53.87 Favored 'Isoleucine or valine' 0 C--O 1.235 0.315 0 CA-C-N 115.812 -0.631 . . . . 71.25 109.824 174.685 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 9.7 mmm180 -91.91 109.71 21.05 Favored 'General case' 0 C--O 1.233 0.187 0 N-CA-C 109.284 -0.636 . . . . 73.23 109.284 177.366 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.432 ' CZ ' ' HA ' ' A' ' 33' ' ' ARG . 2.5 tpm_? . . . . . 0 C--N 1.326 -0.449 0 CA-C-O 120.949 0.404 . . . . 75.21 110.769 -175.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 13.2 mptt . . . . . 0 C--O 1.236 0.392 0 N-CA-C 110.482 -0.192 . . . . 74.44 110.482 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_exo -49.87 167.3 0.21 Allowed 'Trans proline' 0 C--N 1.352 0.737 0 C-N-CA 123.148 2.565 . . . . 75.23 113.712 179.683 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.83 ' SG ' HD11 ' A' ' 10' ' ' ILE . 52.7 t -144.18 -179.95 6.83 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.404 -0.816 . . . . 72.43 109.593 -173.441 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.83 HD11 ' SG ' ' A' ' 9' ' ' CYS . 0.2 OUTLIER -76.76 172.84 1.05 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.292 0 CA-C-O 120.841 0.353 . . . . 70.44 111.265 -176.261 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 20.0 m -91.6 168.48 11.47 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 116.225 -0.443 . . . . 60.5 111.173 -176.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.419 ' N ' ' HB2' ' A' ' 25' ' ' CYS . 25.0 t70 -53.23 -50.57 64.48 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 112.747 0.647 . . . . 53.42 112.747 -169.778 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.777 ' HB3' ' HZ3' ' A' ' 13' ' ' LYS . 4.5 mmmp? -55.63 -31.06 61.99 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 116.336 -0.393 . . . . 75.52 110.608 179.4 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -85.69 -32.53 21.89 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.029 -0.532 . . . . 65.23 109.989 -175.738 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.601 ' SG ' HG12 ' A' ' 10' ' ' ILE . 57.4 m -68.71 -27.2 65.73 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 115.99 -0.55 . . . . 55.21 110.537 177.358 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 18.0 m -80.74 96.13 6.84 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.785 -0.643 . . . . 73.35 110.202 179.176 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.59 HG12 HG23 ' A' ' 18' ' ' VAL . 10.2 tt -148.93 123.5 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.362 -0.381 . . . . 74.34 110.592 179.819 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.59 HG23 HG12 ' A' ' 17' ' ' ILE . 24.2 m 37.21 -65.17 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.542 0.65 0 N-CA-C 115.767 1.766 . . . . 73.51 115.767 -177.508 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.551 ' N ' ' O ' ' A' ' 17' ' ' ILE . 0.9 OUTLIER -84.62 89.39 7.46 Favored 'General case' 0 C--N 1.315 -0.919 0 N-CA-C 109.175 -0.676 . . . . 61.2 109.175 176.195 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 56.1 t30 -82.81 75.57 9.7 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-O 121.515 0.674 . . . . 65.4 110.155 -175.411 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 57.5 t80 -64.89 163.2 14.82 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.199 -0.91 . . . . 74.04 109.912 174.503 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 43.7 ttm180 -81.3 88.91 6.05 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.986 -0.552 . . . . 74.2 109.965 -178.127 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -139.97 175.73 9.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.133 0.492 . . . . 73.11 111.524 -175.715 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 49.8 ttm-85 -151.05 139.45 20.41 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.629 -0.878 . . . . 75.22 108.629 171.615 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.445 ' HA ' ' O ' ' A' ' 29' ' ' TYR . 21.5 m -130.07 134.79 47.61 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.726 0.298 . . . . 73.43 110.466 179.7 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.559 ' HG2' ' HG3' ' A' ' 27' ' ' LYS . 68.7 ttt180 -160.39 143.89 13.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.349 -0.387 . . . . 73.12 109.979 -179.394 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.559 ' HG3' ' HG2' ' A' ' 26' ' ' ARG . 48.2 mtmt 57.33 32.47 21.81 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-O 121.148 0.499 . . . . 75.12 111.013 179.351 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 72.58 20.33 79.48 Favored Glycine 0 N--CA 1.451 -0.338 0 CA-C-N 115.819 -0.628 . . . . 71.4 113.241 -179.672 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.445 ' O ' ' HA ' ' A' ' 25' ' ' CYS . 93.4 m-85 -115.33 127.88 55.72 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.749 -0.463 . . . . 74.32 109.749 175.538 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 89.6 m -106.73 118.1 35.8 Favored 'General case' 0 C--O 1.235 0.306 0 N-CA-C 109.723 -0.473 . . . . 71.31 109.723 175.412 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 9.1 p -121.95 136.71 57.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 121.093 0.473 . . . . 71.25 110.996 -179.482 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 94.4 mtt180 -83.87 113.65 21.09 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.861 -0.609 . . . . 73.23 109.43 176.012 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 85.1 mtm180 . . . . . 0 C--N 1.327 -0.378 0 CA-C-O 121.619 0.724 . . . . 75.21 110.421 -179.61 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.516 ' HD2' ' N ' ' A' ' 7' ' ' LYS . 0.1 OUTLIER . . . . . 0 C--O 1.235 0.306 0 N-CA-C 110.419 -0.215 . . . . 74.44 110.419 . . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_endo -64.06 176.4 2.53 Favored 'Trans proline' 0 C--N 1.352 0.746 0 C-N-CA 122.728 2.285 . . . . 75.23 112.402 178.082 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 28.1 m -123.09 -171.67 2.34 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.735 -0.666 . . . . 72.43 110.683 -173.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.45 HG13 ' SG ' ' A' ' 15' ' ' CYS . 24.6 pt -69.76 157.97 6.31 Favored 'Isoleucine or valine' 0 C--O 1.233 0.235 0 CA-C-N 115.918 -0.583 . . . . 70.44 110.472 173.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 9.2 p -92.61 173.56 7.72 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-O 121.005 0.431 . . . . 60.5 111.742 -176.276 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.5 ' O ' ' HB2' ' A' ' 16' ' ' SER . 11.2 t70 -50.73 -30.65 14.43 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 115.34 -0.845 . . . . 53.42 111.149 -178.739 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 23.1 tptm -48.79 -37.59 19.57 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 115.868 -0.605 . . . . 75.52 111.156 177.795 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 30.9 mm-40 -104.59 -46.91 4.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 65.23 111.003 -179.233 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.45 ' SG ' HG13 ' A' ' 10' ' ' ILE . 4.6 p -97.81 86.35 3.75 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.374 0.607 . . . . 55.21 109.959 -178.343 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.5 ' HB2' ' O ' ' A' ' 12' ' ' ASP . 31.1 t -131.85 -174.89 3.55 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.403 -0.817 . . . . 73.35 110.867 -178.866 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.497 ' O ' HG12 ' A' ' 18' ' ' VAL . 13.3 tt -64.55 148.43 11.84 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.575 0 CA-C-N 115.794 -0.639 . . . . 74.34 112.341 -174.827 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.497 HG12 ' O ' ' A' ' 17' ' ' ILE . 2.8 p 58.32 9.91 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.478 0.934 0 C-N-CA 124.981 1.313 . . . . 73.51 113.362 172.731 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -84.14 164.03 19.43 Favored 'General case' 0 C--N 1.327 -0.382 0 O-C-N 121.963 -0.461 . . . . 61.2 110.347 176.15 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -47.2 -59.97 2.8 Favored 'General case' 0 N--CA 1.465 0.317 0 O-C-N 123.547 0.529 . . . . 65.4 112.282 -172.19 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 6.1 p90 -84.8 129.34 34.83 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.224 0.535 . . . . 74.04 111.085 -175.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 13.9 ttm180 -81.46 93.69 6.68 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 115.398 -0.819 . . . . 74.2 110.084 -175.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -149.08 147.19 28.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 73.11 110.701 -179.4 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 22.9 mmt180 -122.76 114.32 20.38 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.682 -0.488 . . . . 75.22 109.682 175.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 64.0 m -101.92 145.86 28.65 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.027 -0.533 . . . . 73.43 110.475 -179.372 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 33.7 ttm-85 -145.8 127.29 15.05 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.408 -0.59 . . . . 73.12 109.408 179.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 46.6 mmtm 50.93 32.89 7.92 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 116.272 -0.422 . . . . 75.12 111.186 178.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 99.9 -27.2 21.36 Favored Glycine 0 CA--C 1.52 0.374 0 CA-C-N 115.793 -0.639 . . . . 71.4 113.532 175.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -87.83 139.82 30.14 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 117.619 0.709 . . . . 74.32 110.765 -176.352 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 28.4 p -106.53 128.35 54.04 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-O 120.878 0.37 . . . . 71.31 111.131 -177.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 61.6 t -114.49 120.17 63.45 Favored 'Isoleucine or valine' 0 C--O 1.235 0.299 0 CA-C-N 115.767 -0.651 . . . . 71.25 109.286 174.759 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 43.2 mtm180 -116.66 114.9 24.7 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 110.15 -0.315 . . . . 73.23 110.15 -178.559 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 6.6 tpp180 . . . . . 0 C--N 1.325 -0.468 0 N-CA-C 109.612 -0.514 . . . . 75.21 109.612 177.435 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.626 ' HD2' ' N ' ' A' ' 7' ' ' LYS . 0.1 OUTLIER . . . . . 0 C--O 1.236 0.362 0 CA-C-O 120.489 0.185 . . . . 74.44 111.162 . . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 7' ' ' LYS . 13.5 Cg_exo -69.37 -171.49 0.44 Allowed 'Trans proline' 0 C--N 1.355 0.879 0 C-N-CA 123.364 2.709 . . . . 75.23 112.707 -178.564 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 64.4 m -119.76 -172.03 2.25 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.508 -0.769 . . . . 72.43 110.999 -176.463 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 30.4 pt -65.5 177.51 0.32 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.272 0 CA-C-N 116.027 -0.533 . . . . 70.44 111.418 178.771 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 14.4 p -96.78 161.57 13.81 Favored 'General case' 0 C--O 1.242 0.667 0 CA-C-N 116.075 -0.511 . . . . 60.5 111.484 -177.258 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.657 ' HA ' ' SG ' ' A' ' 15' ' ' CYS . 30.8 t70 -56.04 -30.81 62.45 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 115.229 -0.896 . . . . 53.42 111.223 179.686 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 23.3 tptm -59.61 -35.26 73.99 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 116.016 -0.538 . . . . 75.52 110.213 178.579 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 31.8 mm-40 -84.64 -47.28 10.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.883 -0.599 . . . . 65.23 109.86 -178.692 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.657 ' SG ' ' HA ' ' A' ' 12' ' ' ASP . 28.1 p -88.62 48.71 1.67 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.185 0.517 . . . . 55.21 109.766 178.896 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 23.3 t -88.21 -170.4 2.95 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.78 -0.645 . . . . 73.35 110.831 -175.213 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.743 HG12 HG11 ' A' ' 18' ' ' VAL . 11.6 tt -54.26 123.24 4.87 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.338 0 CA-C-N 116.017 -0.538 . . . . 74.34 111.738 -177.588 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.743 HG11 HG12 ' A' ' 17' ' ' ILE . 7.8 p 32.4 91.05 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 C-N-CA 124.802 1.241 . . . . 73.51 114.116 177.644 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 34.0 mmtp -103.03 -172.78 2.17 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 114.935 -1.029 . . . . 61.2 109.166 172.711 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -70.08 -10.33 58.37 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-O 121.192 0.52 . . . . 65.4 110.109 176.541 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 34.4 p90 -132.07 139.35 48.49 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.569 -0.741 . . . . 74.04 109.686 177.325 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 40.8 ttm180 -86.7 99.37 11.71 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.907 -0.405 . . . . 74.2 109.907 -179.668 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -145.26 139.47 27.15 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.262 -0.427 . . . . 73.11 110.655 -178.289 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 31.0 mmt180 -130.88 122.99 28.01 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.263 -0.426 . . . . 75.22 109.963 175.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 37.4 m -88.32 145.93 25.57 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.03 -0.532 . . . . 73.43 110.512 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 14.6 ttm180 -137.27 101.14 4.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.281 -0.418 . . . . 73.12 110.294 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 43.4 mmtm 54.48 40.33 31.73 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 121.229 0.538 . . . . 75.12 111.308 176.324 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 100.25 -23.04 37.42 Favored Glycine 0 N--CA 1.453 -0.205 0 CA-C-N 115.743 -0.662 . . . . 71.4 112.851 178.238 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -80.79 165.72 21.63 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.713 -0.476 . . . . 74.32 109.713 176.598 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 13.8 p -136.35 123.33 21.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.849 0.357 . . . . 71.31 110.793 177.318 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 50.3 t -110.76 119.37 59.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.933 -0.576 . . . . 71.25 109.843 176.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 77.7 mtm180 -115.91 109.7 17.96 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.601 -0.518 . . . . 73.23 109.601 177.64 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.2 tpp180 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 115.965 -0.561 . . . . 75.21 111.223 -172.524 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.531 ' NZ ' ' HB2' ' A' ' 7' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.562 0.22 . . . . 74.44 110.839 . . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 17.0 Cg_exo -68.8 -176.03 1.11 Allowed 'Trans proline' 0 C--N 1.348 0.533 0 C-N-CA 122.737 2.291 . . . . 75.23 110.674 169.355 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 53.4 m -113.97 171.69 7.44 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.786 0.327 . . . . 72.43 110.556 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.52 ' O ' ' SG ' ' A' ' 15' ' ' CYS . 18.5 tt -62.92 167.86 0.82 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.597 0 CA-C-N 115.598 -0.728 . . . . 70.44 110.849 -177.463 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -56.43 155.43 7.11 Favored 'General case' 0 CA--C 1.543 0.686 0 CA-C-O 121.723 0.773 . . . . 60.5 112.938 -175.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 18.9 p-10 -53.41 -47.09 69.88 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 114.768 -1.105 . . . . 53.42 112.688 -170.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 31.5 mtmm -65.38 -23.28 66.93 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.154 -0.476 . . . . 75.52 110.815 -176.431 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -90.22 -31.61 16.94 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.11 -0.496 . . . . 65.23 110.01 -177.219 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.52 ' SG ' ' O ' ' A' ' 10' ' ' ILE . 59.4 m -72.47 -19.38 61.57 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 115.8 -0.636 . . . . 55.21 110.384 174.326 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 38.7 t -74.04 81.2 1.72 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.936 -0.574 . . . . 73.35 110.553 -179.479 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 6.9 tp -94.84 134.98 30.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.583 -0.735 . . . . 74.34 109.323 173.251 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 13.4 m -105.5 76.43 0.45 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.339 0 CA-C-O 121.249 0.547 . . . . 73.51 111.497 -176.67 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 38.9 mmtm -148.39 56.71 1.05 Allowed 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 115.934 -0.576 . . . . 61.2 110.777 178.166 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 43.5 m-80 73.88 -64.81 0.38 Allowed 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 123.639 0.776 . . . . 65.4 111.664 175.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 7.7 p90 -62.78 137.62 58.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.872 0.368 . . . . 74.04 110.223 -179.7 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.426 ' HA ' ' CZ ' ' A' ' 22' ' ' ARG . 2.5 tpm_? -113.54 97.02 6.18 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.123 0.487 . . . . 74.2 111.93 -174.389 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -96.12 123.29 39.67 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.999 -1.112 . . . . 73.11 107.999 166.34 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.87 116.81 17.68 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.976 0.417 . . . . 75.22 109.929 -176.691 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.62 ' SG ' ' HB3' ' A' ' 30' ' ' CYS . 71.7 m -91.8 113.32 25.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.902 -0.59 . . . . 73.43 110.873 179.281 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 15.4 ptt180 -112.71 121.15 43.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.914 -0.584 . . . . 73.12 109.831 176.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 56.2 mtpt 56.5 32.91 21.64 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 116.071 -0.513 . . . . 75.12 110.921 178.274 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 92.1 -23.26 27.66 Favored Glycine 0 C--N 1.334 0.42 0 CA-C-N 115.935 -0.575 . . . . 71.4 112.504 179.139 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 95.7 m-85 -89.8 128.02 36.07 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 109.989 -0.374 . . . . 74.32 109.989 -178.265 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.62 ' HB3' ' SG ' ' A' ' 25' ' ' CYS . 1.8 p -106.7 129.17 54.64 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.346 -0.388 . . . . 71.31 111.298 -171.688 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 34.8 m -108.81 141.17 24.79 Favored 'Isoleucine or valine' 0 C--O 1.236 0.351 0 CA-C-N 116.011 -0.54 . . . . 71.25 110.23 176.106 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 13.2 ptt180 -114.1 109.59 18.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.208 0.528 . . . . 73.23 110.324 179.635 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.415 ' HB2' ' HB3' ' A' ' 22' ' ' ARG . 31.3 mmt180 . . . . . 0 C--O 1.237 0.429 0 CA-C-N 115.658 -0.701 . . . . 75.21 110.779 -177.174 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 56.8 tptt . . . . . 0 C--O 1.236 0.368 0 N-CA-C 110.337 -0.245 . . . . 74.44 110.337 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -91.86 -169.18 0.26 Allowed 'Trans proline' 0 N--CA 1.457 -0.649 0 C-N-CA 122.971 2.447 . . . . 75.23 111.43 174.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 97.0 m -146.77 158.76 43.99 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.207 -0.451 . . . . 72.43 110.349 177.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 26.8 mm -87.34 165.96 2.02 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.315 0 N-CA-C 108.954 -0.758 . . . . 70.44 108.954 177.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 32.4 p -55.65 168.42 0.42 Allowed 'General case' 0 C--O 1.243 0.756 0 CA-C-O 121.834 0.826 . . . . 60.5 112.912 -174.55 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -55.36 -31.06 61.45 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 114.959 -1.018 . . . . 53.42 110.86 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.7 ' HZ2' ' HB3' ' A' ' 13' ' ' LYS . 8.3 mtpm? -57.46 -34.34 68.9 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 115.737 -0.665 . . . . 75.52 111.291 177.814 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.2 tp10 -88.84 -42.21 12.01 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 115.977 -0.556 . . . . 65.23 110.263 -179.556 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 90.5 m -60.41 -31.01 69.98 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 116.037 -0.529 . . . . 55.21 111.379 -179.535 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 11.3 p -70.65 93.28 0.91 Allowed 'General case' 0 C--O 1.235 0.328 0 CA-C-O 121.068 0.461 . . . . 73.35 110.421 177.544 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 9.8 tp -130.94 160.05 42.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.612 -0.722 . . . . 74.34 109.246 -179.814 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.552 HG11 ' HG2' ' A' ' 19' ' ' LYS . 48.4 t -56.3 136.65 18.83 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.335 0 O-C-N 123.228 0.33 . . . . 73.51 111.385 -177.55 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.552 ' HG2' HG11 ' A' ' 18' ' ' VAL . 13.7 mmmm 59.87 38.95 20.96 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 115.611 -0.722 . . . . 61.2 111.928 -179.511 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 58.8 t30 -137.66 101.92 4.61 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 108.742 -0.836 . . . . 65.4 108.742 177.029 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 84.9 m-85 -52.62 171.38 0.06 Allowed 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 114.564 -1.198 . . . . 74.04 111.704 179.15 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 21.0 mmm180 -81.31 114.73 20.29 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.559 0.695 . . . . 74.2 112.71 -168.094 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -123.86 144.5 49.71 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 114.526 -1.216 . . . . 73.11 108.369 174.412 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.49 100.94 13.13 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.956 0.407 . . . . 75.22 109.979 -171.313 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 39.9 m -104.29 128.25 52.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.733 -0.667 . . . . 73.43 110.018 177.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.519 ' HG2' ' HG3' ' A' ' 27' ' ' LYS . 65.2 ttt180 -168.43 145.09 3.85 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 116.37 -0.377 . . . . 73.12 110.099 -177.462 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.519 ' HG3' ' HG2' ' A' ' 26' ' ' ARG . 54.2 mtpt 62.4 32.9 16.63 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 122.928 0.491 . . . . 75.12 110.942 177.105 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 78.53 -0.97 73.95 Favored Glycine 0 CA--C 1.519 0.282 0 CA-C-N 115.878 -0.601 . . . . 71.4 112.959 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -106.46 157.89 17.31 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.755 0.312 . . . . 74.32 110.287 179.753 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 4.9 p -135.99 117.71 15.02 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-N 116.131 -0.486 . . . . 71.31 110.03 178.231 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 59.3 t -112.25 122.58 66.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.259 -0.428 . . . . 71.25 110.659 -177.12 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.496 ' HD3' ' N ' ' A' ' 32' ' ' ARG . 0.5 OUTLIER -93.9 118.78 31.94 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.033 -0.729 . . . . 73.23 109.033 176.513 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 33.9 mtp-105 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.075 -0.511 . . . . 75.21 110.819 -176.38 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.507 ' H ' ' HD3' ' A' ' 7' ' ' LYS . 0.2 OUTLIER . . . . . 0 C--O 1.234 0.262 0 N-CA-C 110.12 -0.326 . . . . 74.44 110.12 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 61.8 Cg_endo -72.51 -168.2 0.38 Allowed 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 122.352 2.035 . . . . 75.23 111.905 176.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 92.3 m -114.12 -171.92 2.0 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.209 -0.451 . . . . 72.43 110.337 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.439 HD12 ' HB3' ' A' ' 14' ' ' GLU . 1.6 pp -76.32 179.03 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.922 -0.581 . . . . 70.44 111.681 178.276 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 14.0 m -72.81 158.65 35.15 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-N 115.984 -0.553 . . . . 60.5 111.55 -176.555 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -56.17 -37.22 69.27 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 116.023 -0.535 . . . . 53.42 111.142 -176.433 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 46.6 mmtm -61.16 -29.86 70.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.972 -0.558 . . . . 75.52 110.118 178.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.439 ' HB3' HD12 ' A' ' 10' ' ' ILE . 6.7 tp10 -89.15 -22.34 22.88 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 115.667 -0.697 . . . . 65.23 109.884 178.421 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 65.9 m -71.91 10.37 0.72 Allowed 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 116.022 -0.535 . . . . 55.21 111.772 177.449 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 29.2 t -68.25 81.71 0.24 Allowed 'General case' 0 CA--C 1.533 0.315 0 CA-C-O 121.05 0.452 . . . . 73.35 110.436 179.427 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 66.5 mt -91.6 116.89 33.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.831 -0.622 . . . . 74.34 109.678 177.568 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 25.3 t -82.53 73.4 0.82 Allowed 'Isoleucine or valine' 0 C--O 1.238 0.468 0 CA-C-O 121.492 0.663 . . . . 73.51 110.41 -179.08 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -141.94 179.16 7.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.128 -0.942 . . . . 61.2 109.458 177.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -77.06 -25.59 52.58 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.735 -0.469 . . . . 65.4 109.735 176.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 96.0 m-85 -75.99 137.82 40.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.668 -0.696 . . . . 74.04 109.861 176.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 15.6 tpp180 -128.39 133.0 48.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.475 -0.329 . . . . 74.2 110.174 -178.467 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -114.74 172.49 7.0 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.306 -0.406 . . . . 73.11 110.785 -179.04 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 40.2 mmm-85 -122.89 127.89 49.58 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.136 -0.69 . . . . 75.22 109.136 178.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 67.6 m -125.28 134.08 52.42 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.769 0.319 . . . . 73.43 110.585 179.452 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 55.7 ttt180 -158.11 133.12 8.57 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.505 -0.554 . . . . 73.12 109.505 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.656 ' HZ3' ' HB3' ' A' ' 27' ' ' LYS . 3.2 mmmp? 54.98 32.34 17.87 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-O 121.172 0.51 . . . . 75.12 110.098 -176.732 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 77.9 -19.33 4.34 Favored Glycine 0 CA--C 1.522 0.504 0 CA-C-N 115.82 -0.627 . . . . 71.4 112.72 -177.341 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 7.9 t80 -68.14 134.27 50.27 Favored 'General case' 0 C--O 1.236 0.382 0 O-C-N 122.483 -0.422 . . . . 74.32 110.342 -179.454 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.1 p -111.24 118.69 36.61 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.053 -0.521 . . . . 71.31 110.956 -176.545 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 61.7 t -113.74 139.95 36.69 Favored 'Isoleucine or valine' 0 C--O 1.233 0.232 0 CA-C-N 115.633 -0.712 . . . . 71.25 109.569 178.027 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 28.5 ptt180 -140.31 146.46 38.54 Favored 'General case' 0 C--O 1.235 0.336 0 N-CA-C 110.353 -0.24 . . . . 73.23 110.353 -177.679 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.456 ' HG3' ' O ' ' A' ' 33' ' ' ARG . 32.0 ptt85 . . . . . 0 CA--C 1.53 0.203 0 N-CA-C 108.708 -0.849 . . . . 75.21 108.708 171.637 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.48 ' O ' ' SG ' ' A' ' 30' ' ' CYS . 67.0 mttm . . . . . 0 CA--C 1.53 0.177 0 N-CA-C 110.034 -0.358 . . . . 74.44 110.034 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.533 ' HA ' ' O ' ' A' ' 28' ' ' GLY . 15.5 Cg_endo -56.26 126.76 23.41 Favored 'Trans proline' 0 C--N 1.352 0.746 0 C-N-CA 122.685 2.256 . . . . 75.23 111.587 -179.17 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.685 ' SG ' ' HB3' ' A' ' 25' ' ' CYS . 19.8 p -122.08 170.8 9.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.983 0.42 . . . . 72.43 111.471 -177.134 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 6.2 mm -87.09 177.25 0.61 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.613 0 CA-C-N 115.848 -0.615 . . . . 70.44 110.033 -174.779 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 13.8 m -55.38 162.57 1.48 Allowed 'General case' 0 CA--C 1.538 0.482 0 N-CA-C 112.554 0.575 . . . . 60.5 112.554 -176.42 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -54.94 -35.25 64.03 Favored 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 112.798 0.666 . . . . 53.42 112.798 -172.708 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.401 ' HE2' ' HB3' ' A' ' 13' ' ' LYS . 16.8 ptpt -61.24 -22.81 65.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.806 0.336 . . . . 75.52 111.261 179.816 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 25.8 mm-40 -92.49 -40.31 10.9 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.306 -0.627 . . . . 65.23 109.306 174.201 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.508 ' HB2' ' HB2' ' A' ' 25' ' ' CYS . 34.3 t -51.81 -54.36 29.78 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 114.685 -1.143 . . . . 55.21 111.094 -178.522 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.501 ' HB3' ' HB3' ' A' ' 23' ' ' ALA . 35.4 p -120.14 89.13 3.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.026 -0.534 . . . . 73.35 110.714 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 10.1 tt -122.0 -42.8 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.876 -0.602 . . . . 74.34 109.587 173.541 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.7 p -79.12 -39.3 21.19 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.187 0 CA-C-N 115.959 -0.564 . . . . 73.51 110.532 177.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 54.8 mtmt -135.81 102.72 5.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.798 -0.637 . . . . 61.2 109.936 179.645 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.489 ' HA ' ' HB2' ' A' ' 16' ' ' SER . 2.4 p-10 -104.3 80.18 1.68 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.332 0.587 . . . . 65.4 110.773 -178.243 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 5.1 p90 -113.79 -68.18 0.94 Allowed 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 115.54 -0.755 . . . . 74.04 109.779 176.087 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 69.3 mtp180 -151.21 85.41 1.33 Allowed 'General case' 0 C--O 1.235 0.33 0 N-CA-C 109.604 -0.517 . . . . 74.2 109.604 176.685 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.501 ' HB3' ' HB3' ' A' ' 16' ' ' SER . . . -142.02 118.68 11.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.791 -0.641 . . . . 73.11 109.67 179.073 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 78.5 mtp180 -125.6 100.93 6.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.031 0.444 . . . . 75.22 110.289 -177.243 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.685 ' HB3' ' SG ' ' A' ' 9' ' ' CYS . 63.0 m -113.49 143.35 44.67 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 108.843 -0.799 . . . . 73.43 108.843 175.491 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 20.6 ttt180 -170.87 126.87 0.72 Allowed 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.935 -0.306 . . . . 73.12 111.321 -172.201 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 52.3 mttm 54.98 34.94 23.49 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 115.83 -0.623 . . . . 75.12 112.046 177.367 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.533 ' O ' ' HA ' ' A' ' 8' ' ' PRO . . . 94.05 -24.83 24.9 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.99 -0.624 . . . . 71.4 112.093 179.142 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 44.5 m-85 -76.66 152.61 35.73 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 110.132 -0.322 . . . . 74.32 110.132 -178.333 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.48 ' SG ' ' O ' ' A' ' 7' ' ' LYS . 31.0 m -134.07 129.7 36.4 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 116.243 -0.435 . . . . 71.31 111.003 -174.298 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 48.5 t -132.58 114.32 22.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.043 -0.526 . . . . 71.25 109.683 173.462 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.3 tmm_? -141.84 113.28 7.67 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 107.87 -1.159 . . . . 73.23 107.87 178.769 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 11.0 ttt180 . . . . . 0 C--N 1.326 -0.434 0 CA-C-O 121.049 0.452 . . . . 75.21 111.176 -170.407 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 26.7 mtpp . . . . . 0 CA--C 1.529 0.153 0 CA-C-O 120.626 0.25 . . . . 74.44 111.265 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_endo -80.74 -166.19 0.39 Allowed 'Trans proline' 0 N--CA 1.461 -0.392 0 C-N-CA 122.84 2.36 . . . . 75.23 110.249 169.314 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.42 ' SG ' ' N ' ' A' ' 10' ' ' ILE . 51.7 t -113.94 -178.36 3.35 Favored 'General case' 0 C--N 1.313 -0.988 0 N-CA-C 108.564 -0.902 . . . . 72.43 108.564 178.13 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.722 HD13 ' HG2' ' A' ' 14' ' ' GLU . 12.8 tt -98.86 161.06 3.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 C-N-CA 120.648 -0.421 . . . . 70.44 110.523 -176.567 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 15.5 m -56.6 155.75 7.07 Favored 'General case' 0 CA--C 1.535 0.396 0 N-CA-C 113.095 0.776 . . . . 60.5 113.095 -171.537 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.413 ' HA ' ' SG ' ' A' ' 15' ' ' CYS . 4.6 p-10 -53.43 -41.28 65.91 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 115.0 -1.0 . . . . 53.42 111.605 -179.576 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 17.5 ttpp -55.24 -34.81 64.32 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.285 0.564 . . . . 75.52 110.709 177.716 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.722 ' HG2' HD13 ' A' ' 10' ' ' ILE . 17.1 tp10 -94.6 -13.91 25.49 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.685 -0.689 . . . . 65.23 110.042 -176.869 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.413 ' SG ' ' HA ' ' A' ' 12' ' ' ASP . 72.0 m -70.07 -51.43 31.95 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 116.091 -0.504 . . . . 55.21 110.402 172.362 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 15.8 m -102.89 91.73 4.27 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 116.025 -0.534 . . . . 73.35 111.177 -176.581 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.428 ' N ' HD13 ' A' ' 17' ' ' ILE . 3.4 mp -90.8 70.47 0.7 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.153 0 N-CA-C 108.952 -0.759 . . . . 74.34 108.952 178.232 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 9.7 m 40.72 24.84 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.416 0 C-N-CA 124.343 1.057 . . . . 73.51 112.904 -175.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.0 tppp? -98.15 152.45 19.34 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.669 -0.696 . . . . 61.2 110.285 -176.104 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -77.32 67.16 3.22 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-O 121.423 0.63 . . . . 65.4 111.056 179.697 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 49.0 m-85 -147.38 152.66 38.53 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 108.552 -0.907 . . . . 74.04 108.552 174.392 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 38.3 ttm180 -142.74 129.94 20.93 Favored 'General case' 0 C--O 1.238 0.454 0 CA-C-O 121.275 0.56 . . . . 74.2 111.398 -176.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -149.31 155.07 39.96 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 114.912 -1.04 . . . . 73.11 108.379 176.102 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 70.8 ttt180 -95.02 102.6 14.42 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.811 0.339 . . . . 75.22 110.334 -176.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.474 ' SG ' ' SG ' ' A' ' 30' ' ' CYS . 32.0 m -102.78 113.36 26.72 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.84 -0.618 . . . . 73.43 109.766 177.411 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.44 ' NH1' ' HD1' ' A' ' 29' ' ' TYR . 2.4 tmm_? -134.28 126.09 29.04 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.87 -0.418 . . . . 73.12 109.87 -177.742 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 53.3 mtpt 55.76 32.88 20.34 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 123.17 0.588 . . . . 75.12 110.91 -175.493 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 78.9 0.42 81.61 Favored Glycine 0 C--O 1.224 -0.473 0 CA-C-N 115.871 -0.604 . . . . 71.4 113.179 178.172 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.44 ' HD1' ' NH1' ' A' ' 26' ' ' ARG . 25.5 m-85 -94.68 127.95 41.02 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 108.001 -1.111 . . . . 74.32 108.001 174.865 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.474 ' SG ' ' SG ' ' A' ' 25' ' ' CYS . 83.7 m -108.67 129.48 55.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.79 0.329 . . . . 71.31 111.004 -177.381 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 16.8 m -134.76 120.53 31.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 N-CA-C 109.477 -0.564 . . . . 71.25 109.477 174.358 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 33.7 ttt180 -81.65 109.67 16.29 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 110.027 -0.36 . . . . 73.23 110.027 -178.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 N-CA-C 108.733 -0.84 . . . . 75.21 108.733 177.467 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.102 0 CA-C-O 120.561 0.22 . . . . 51.55 110.54 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -113.46 90.67 3.41 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.19 -0.67 . . . . 74.14 109.19 178.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 8.6 tt -63.44 110.17 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.043 -0.526 . . . . 72.12 110.144 -177.396 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 9.5 pt20 -140.74 153.02 45.73 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.169 -0.469 . . . . 72.04 110.652 -173.403 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 56.6 tp -89.52 117.86 28.73 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.562 -0.533 . . . . 65.04 109.562 176.196 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.3 t -61.83 141.98 57.61 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-O 120.981 0.42 . . . . 74.24 110.586 -179.633 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.406 ' HA ' ' HD3' ' A' ' 8' ' ' PRO . 18.1 ptpt -121.75 149.08 52.44 Favored Pre-proline 0 C--N 1.326 -0.445 0 CA-C-N 115.544 -0.753 . . . . 74.44 110.356 -177.268 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 7' ' ' LYS . 24.3 Cg_exo -64.86 -178.18 0.7 Allowed 'Trans proline' 0 C--N 1.35 0.609 0 C-N-CA 123.083 2.522 . . . . 75.23 113.155 -178.251 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 97.0 m -113.76 -179.34 3.61 Favored 'General case' 0 C--O 1.238 0.452 0 CA-C-N 115.919 -0.582 . . . . 72.43 110.768 178.702 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.607 HG12 ' HG ' ' A' ' 15' ' ' CYS . 0.2 OUTLIER -57.32 164.35 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.392 0 CA-C-N 116.035 -0.53 . . . . 70.44 111.747 178.387 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 14.8 m -70.58 160.19 32.96 Favored 'General case' 0 C--O 1.239 0.544 0 CA-C-N 115.729 -0.669 . . . . 60.5 111.569 -176.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -55.25 -35.03 64.55 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 115.775 -0.648 . . . . 53.42 110.767 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 51.5 mtpt -54.05 -38.6 65.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.523 -0.762 . . . . 75.52 110.655 176.51 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -89.78 -25.12 21.27 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.468 -0.787 . . . . 65.23 110.168 -176.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.607 ' HG ' HG12 ' A' ' 10' ' ' ILE . 36.9 m -79.95 9.29 5.55 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 115.89 -0.595 . . . . 55.21 111.48 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 48.9 m -102.87 177.33 4.87 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-O 120.77 0.319 . . . . 73.35 111.11 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 33.7 pt -66.22 -1.19 1.04 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.403 0 CA-C-N 116.117 -0.492 . . . . 74.34 112.255 -172.109 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 38.9 t -55.99 -36.08 43.27 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.239 0 CA-C-O 121.283 0.563 . . . . 73.51 109.89 173.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -101.25 12.07 38.19 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 115.481 -0.781 . . . . 61.2 111.091 179.402 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 77.88 -8.11 1.72 Allowed 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 123.649 0.78 . . . . 65.4 111.527 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 90.4 m-85 -94.13 173.22 7.76 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.421 -0.354 . . . . 74.04 110.979 178.643 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 11.3 ptt180 -153.58 98.92 2.27 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-O 121.46 0.648 . . . . 74.2 110.754 -179.134 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -137.49 163.9 30.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.837 -0.619 . . . . 73.11 110.038 179.002 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 53.6 ttt180 -103.91 112.13 24.97 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.357 -0.609 . . . . 75.22 109.357 178.659 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.43 ' HA ' ' O ' ' A' ' 29' ' ' TYR . 70.9 m -117.37 118.51 32.43 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.26 0.553 . . . . 73.43 110.152 -178.625 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 57.5 ttt180 -135.32 117.36 15.34 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.57 -0.741 . . . . 73.12 110.087 -175.202 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt 56.33 32.97 21.47 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 121.365 0.602 . . . . 75.12 110.526 -178.268 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 91.31 -20.95 37.48 Favored Glycine 0 N--CA 1.45 -0.381 0 CA-C-N 115.393 -0.821 . . . . 71.4 112.615 178.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.43 ' O ' ' HA ' ' A' ' 25' ' ' CYS . 4.3 t80 -71.4 128.04 34.55 Favored 'General case' 0 C--N 1.333 -0.151 0 N-CA-C 109.036 -0.727 . . . . 74.32 109.036 -179.406 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.2 p -115.39 118.34 32.95 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.924 0.393 . . . . 71.31 111.233 -174.335 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 18.2 m -135.9 128.87 47.1 Favored 'Isoleucine or valine' 0 C--O 1.233 0.225 0 CA-C-N 116.028 -0.533 . . . . 71.25 110.379 178.48 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.522 HH12 ' HG2' ' A' ' 34' ' ' ARG . 3.4 tmm_? -87.2 109.81 19.73 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 108.262 -1.014 . . . . 73.23 108.262 175.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 30.0 mmm180 -100.52 174.04 6.27 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.969 -0.559 . . . . 75.21 111.688 -171.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.522 ' HG2' HH12 ' A' ' 32' ' ' ARG . 25.2 mmm180 -117.63 154.1 32.16 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.467 -0.788 . . . . 63.45 109.092 171.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 10.4 tt -70.74 -36.9 66.84 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.673 0 CA-C-O 121.222 0.534 . . . . 74.43 109.608 174.154 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 40.4 ttm180 . . . . . 0 C--O 1.247 0.961 0 CA-C-N 115.535 -0.757 . . . . 74.55 109.378 179.121 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.003 0 CA-C-O 121.002 0.43 . . . . 51.55 110.033 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 84.1 t80 -151.87 120.42 6.46 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.818 -0.628 . . . . 74.14 109.54 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 58.0 mt -58.19 109.33 0.35 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.318 0 CA-C-N 116.453 -0.339 . . . . 72.12 110.424 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 87.0 mm-40 -70.85 98.85 1.64 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.091 -0.504 . . . . 72.04 110.591 -179.322 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 61.6 tp -70.06 93.93 0.84 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.077 -0.51 . . . . 65.04 110.074 176.316 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.5 t -73.29 147.82 44.16 Favored 'General case' 0 C--O 1.238 0.452 0 N-CA-C 109.355 -0.609 . . . . 74.24 109.355 176.553 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.713 ' HB3' ' HZ3' ' A' ' 7' ' ' LYS . 6.3 ttpm? -126.08 106.28 25.23 Favored Pre-proline 0 C--N 1.322 -0.589 0 CA-C-N 116.378 -0.373 . . . . 74.44 110.534 -179.01 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 81.9 Cg_endo -85.19 -169.7 0.66 Allowed 'Trans proline' 0 N--CA 1.456 -0.678 0 C-N-CA 122.577 2.184 . . . . 75.23 111.506 173.589 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.427 ' SG ' ' N ' ' A' ' 30' ' ' CYS . 32.7 m -113.61 -171.45 1.89 Allowed 'General case' 0 C--N 1.317 -0.808 0 N-CA-C 108.284 -1.006 . . . . 72.43 108.284 176.555 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.662 ' HB ' ' SG ' ' A' ' 15' ' ' CYS . 35.6 mt -52.98 138.45 12.14 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.394 0 N-CA-C 108.723 -0.843 . . . . 70.44 108.723 169.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 26.0 m -74.35 161.39 29.91 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 112.088 0.403 . . . . 60.5 112.088 -171.05 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -50.24 -50.03 51.15 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 115.63 -0.714 . . . . 53.42 110.664 -178.53 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.424 ' HE3' ' HB2' ' A' ' 13' ' ' LYS . 38.7 mtmt -62.84 -21.94 66.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 114.633 -1.167 . . . . 75.52 111.63 -176.096 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.568 ' HB2' HG21 ' A' ' 10' ' ' ILE . 29.6 mm-40 -98.59 -33.6 10.91 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.094 -0.503 . . . . 65.23 111.402 -173.493 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.662 ' SG ' ' HB ' ' A' ' 10' ' ' ILE . 61.7 m -80.24 -61.81 1.87 Allowed 'General case' 0 C--O 1.238 0.456 0 CA-C-O 120.87 0.367 . . . . 55.21 110.989 -179.153 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 13.5 t -81.25 81.49 7.41 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-O 121.627 0.727 . . . . 73.35 110.678 -171.548 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 48.7 mm -110.37 -42.76 5.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 N-CA-C 108.169 -1.049 . . . . 74.34 108.169 171.232 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 27.8 m -102.52 133.88 44.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 114.85 -1.068 . . . . 73.51 109.612 173.313 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -104.22 42.71 1.16 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.145 0.498 . . . . 61.2 109.933 -178.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -136.58 96.64 3.38 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.516 -0.765 . . . . 65.4 110.568 -178.626 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 87.9 t80 53.92 81.73 0.09 Allowed 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 115.641 -0.709 . . . . 74.04 110.865 175.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.6 tpp85 -156.03 165.73 35.58 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.113 -0.494 . . . . 74.2 110.439 -177.217 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.09 125.74 27.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.474 -0.33 . . . . 73.11 110.338 176.193 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 55.9 mtm180 -93.81 101.03 13.12 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 110.057 -0.349 . . . . 75.22 110.057 -178.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 61.0 m -89.72 125.03 35.12 Favored 'General case' 0 C--O 1.238 0.46 0 CA-C-N 116.222 -0.445 . . . . 73.43 110.361 179.624 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 61.4 mtp180 -127.54 134.13 49.76 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-N 115.994 -0.548 . . . . 73.12 110.277 178.218 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 67.2 mttm 60.73 32.59 20.24 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 115.835 -0.62 . . . . 75.12 110.866 175.691 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 83.49 -6.04 74.92 Favored Glycine 0 N--CA 1.45 -0.368 0 CA-C-N 115.576 -0.738 . . . . 71.4 113.324 178.658 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -108.01 156.9 18.72 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 117.38 0.59 . . . . 74.32 110.014 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.427 ' N ' ' SG ' ' A' ' 9' ' ' CYS . 9.2 p -106.34 128.16 53.8 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-O 121.178 0.513 . . . . 71.31 111.654 -173.25 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 60.8 t -117.08 138.92 46.17 Favored 'Isoleucine or valine' 0 C--O 1.237 0.446 0 CA-C-N 115.562 -0.745 . . . . 71.25 109.974 178.34 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 31.7 mmt180 -97.01 125.06 41.17 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 121.11 0.481 . . . . 73.23 110.822 -175.488 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 15.4 ttt180 -76.35 129.29 36.39 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.263 -0.881 . . . . 75.21 110.902 178.15 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 7.7 ptp180 -82.07 158.06 23.88 Favored 'General case' 0 C--O 1.236 0.356 0 N-CA-C 109.754 -0.462 . . . . 63.45 109.754 173.032 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 45.8 mm -88.12 -38.95 12.36 Favored 'Isoleucine or valine' 0 C--O 1.236 0.372 0 CA-C-O 120.945 0.402 . . . . 74.43 110.535 -179.399 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.253 1.282 0 N-CA-C 108.933 -0.765 . . . . 74.55 108.933 -177.748 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.059 0 N-CA-C 110.33 -0.248 . . . . 51.55 110.33 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 -109.7 76.15 0.98 Allowed 'General case' 0 C--O 1.234 0.287 0 N-CA-C 109.33 -0.619 . . . . 74.14 109.33 177.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 11.4 tt -72.52 83.06 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 121.976 0.893 . . . . 72.12 109.98 -179.576 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -101.46 106.07 17.15 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.27 -0.877 . . . . 72.04 110.511 -177.332 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 84.5 mt -75.24 100.26 4.29 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.54 -0.541 . . . . 65.04 109.54 176.278 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 p -58.02 115.71 3.05 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 121.169 0.509 . . . . 74.24 110.155 177.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 61.7 tttm -116.31 93.51 39.7 Favored Pre-proline 0 C--N 1.324 -0.506 0 CA-C-N 115.364 -0.834 . . . . 74.44 110.276 -173.002 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 67.9 Cg_endo -85.24 -164.83 0.25 Allowed 'Trans proline' 0 C--N 1.348 0.516 0 C-N-CA 123.033 2.489 . . . . 75.23 112.31 -178.189 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 56.0 m -119.43 -173.04 2.44 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.045 -0.525 . . . . 72.43 110.047 179.399 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 46.2 mm -85.6 154.44 3.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 N-CA-C 109.72 -0.474 . . . . 70.44 109.72 177.599 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 33.2 p -69.56 158.68 34.79 Favored 'General case' 0 C--O 1.24 0.591 0 CA-C-O 121.133 0.492 . . . . 60.5 111.986 -176.695 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.611 ' HA ' ' SG ' ' A' ' 15' ' ' CYS . 11.7 t70 -50.76 -32.06 18.6 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 115.166 -0.925 . . . . 53.42 111.025 178.876 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 58.8 tptt -52.88 -34.58 55.32 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 115.332 -0.849 . . . . 75.52 111.909 -178.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -108.39 -37.81 5.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.523 -0.308 . . . . 65.23 111.135 -177.461 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.611 ' SG ' ' HA ' ' A' ' 12' ' ' ASP . 21.1 p -80.26 19.66 0.74 Allowed 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 111.854 0.316 . . . . 55.21 111.854 -176.43 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 29.8 m -57.34 113.19 1.65 Allowed 'General case' 0 CA--C 1.533 0.316 0 N-CA-C 109.23 -0.655 . . . . 73.35 109.23 172.156 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 18.6 pt -67.9 83.99 0.12 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.325 0 CA-C-O 121.844 0.831 . . . . 74.34 113.05 -169.186 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 26.9 m -123.65 14.37 5.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.017 -0.992 . . . . 73.51 109.29 171.043 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.573 ' HG3' ' H ' ' A' ' 20' ' ' ASN . 40.4 tptt -110.09 -176.92 3.12 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 115.128 -0.942 . . . . 61.2 109.372 -176.156 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.573 ' H ' ' HG3' ' A' ' 19' ' ' LYS . 17.6 m120 -81.06 39.28 0.5 Allowed 'General case' 0 N--CA 1.47 0.553 0 CA-C-O 120.961 0.41 . . . . 65.4 111.195 178.39 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 6.6 t80 -151.13 179.59 8.15 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 108.954 -0.758 . . . . 74.04 108.954 179.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 20.4 ptt180 -156.15 103.26 2.18 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-O 121.302 0.572 . . . . 74.2 111.835 -175.361 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.43 ' HA ' ' O ' ' A' ' 31' ' ' VAL . . . -148.32 119.9 8.0 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 115.513 -0.767 . . . . 73.11 110.343 178.4 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 18.1 tpp85 -93.69 110.15 21.78 Favored 'General case' 0 C--N 1.332 -0.184 0 N-CA-C 109.287 -0.634 . . . . 75.22 109.287 177.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.621 ' HA ' ' HA ' ' A' ' 30' ' ' CYS . 50.9 m -84.58 133.59 34.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.295 -0.411 . . . . 73.43 111.673 -174.003 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.407 ' HG2' ' HG2' ' A' ' 27' ' ' LYS . 20.9 ttt180 -159.49 144.85 15.73 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.148 -0.686 . . . . 73.12 109.148 178.743 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.407 ' HG2' ' HG2' ' A' ' 26' ' ' ARG . 34.2 mmtp 58.84 32.77 22.55 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 116.215 -0.448 . . . . 75.12 110.639 -178.764 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 79.97 -11.96 32.64 Favored Glycine 0 CA--C 1.52 0.367 0 CA-C-N 115.847 -0.615 . . . . 71.4 112.934 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 31.2 m-85 -99.33 171.32 8.05 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 110.066 -0.346 . . . . 74.32 110.066 -179.734 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.621 ' HA ' ' HA ' ' A' ' 25' ' ' CYS . 27.0 p -128.36 118.23 22.82 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 110.04 -0.356 . . . . 71.31 110.04 175.813 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.43 ' O ' ' HA ' ' A' ' 23' ' ' ALA . 23.3 t -82.67 102.14 8.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 N-CA-C 109.098 -0.705 . . . . 71.25 109.098 178.163 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 15.7 ptp180 -94.65 116.12 28.37 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.07 -0.968 . . . . 73.23 110.43 -176.55 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 20.1 tpp180 -82.4 94.46 7.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.725 -0.67 . . . . 75.21 110.598 -176.109 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 39.1 ttm180 -98.6 117.13 32.35 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.896 -0.409 . . . . 63.45 109.896 174.775 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 40.1 mt -86.97 63.38 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-O 121.634 0.731 . . . . 74.43 109.533 178.499 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 4.8 tpp180 . . . . . 0 C--O 1.249 1.049 0 CA-C-N 114.857 -1.065 . . . . 74.55 109.018 177.909 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.089 0 CA-C-O 120.904 0.383 . . . . 51.55 110.831 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 47.2 p90 -135.74 12.18 3.42 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 115.951 -0.568 . . . . 74.14 110.238 177.408 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 65.7 mt -74.63 136.04 26.05 Favored 'Isoleucine or valine' 0 C--O 1.233 0.22 0 CA-C-N 115.764 -0.653 . . . . 72.12 110.454 -177.71 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 59.7 tt0 -58.82 -64.68 0.85 Allowed 'General case' 0 C--O 1.234 0.274 0 O-C-N 123.332 0.395 . . . . 72.04 110.496 178.757 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 68.3 tp -163.55 119.95 1.74 Allowed 'General case' 0 C--O 1.234 0.28 0 CA-C-N 116.046 -0.525 . . . . 65.04 110.652 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.0 p -106.89 172.8 6.62 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.768 -0.827 . . . . 74.24 108.768 171.438 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 21.5 pttm -77.51 157.19 80.42 Favored Pre-proline 0 C--O 1.235 0.313 0 N-CA-C 109.888 -0.412 . . . . 74.44 109.888 176.505 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_exo -65.0 -155.01 0.03 OUTLIER 'Trans proline' 0 CA--C 1.535 0.553 0 C-N-CA 122.842 2.362 . . . . 75.23 112.012 176.167 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 59.3 m -113.75 -177.35 3.11 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.95 0.405 . . . . 72.43 110.399 -177.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.539 ' H ' HD12 ' A' ' 10' ' ' ILE . 0.2 OUTLIER -68.99 167.76 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.779 -0.646 . . . . 70.44 110.298 175.116 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 17.1 m -71.8 160.48 32.51 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.238 -0.437 . . . . 60.5 111.108 -177.256 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.633 ' HA ' ' SG ' ' A' ' 15' ' ' CYS . 21.9 p-10 -59.85 -39.43 85.16 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.945 -0.57 . . . . 53.42 111.422 -176.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.465 ' HD3' ' N ' ' A' ' 14' ' ' GLU . 0.0 OUTLIER -66.98 -15.85 63.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.118 -0.492 . . . . 75.52 111.201 177.046 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.465 ' N ' ' HD3' ' A' ' 13' ' ' LYS . 9.3 tp10 -96.58 -38.41 9.98 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.166 -0.47 . . . . 65.23 110.617 -174.614 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.633 ' SG ' ' HA ' ' A' ' 12' ' ' ASP . 4.8 p -73.15 -20.16 60.97 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 116.491 -0.322 . . . . 55.21 111.382 179.582 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 13.6 p -90.88 91.27 8.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.962 0.41 . . . . 73.35 109.969 176.266 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 57.8 mt -96.64 -75.87 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.142 -0.481 . . . . 74.34 111.008 -177.079 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.485 HG22 ' HE ' ' A' ' 22' ' ' ARG . 31.4 m -91.26 145.87 6.93 Favored 'Isoleucine or valine' 0 C--O 1.233 0.22 0 CA-C-N 116.344 -0.389 . . . . 73.51 110.924 -177.087 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 31.9 mtmm -81.81 94.15 6.99 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.714 -0.675 . . . . 61.2 110.722 -177.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -171.41 -77.69 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 114.984 -1.007 . . . . 65.4 108.88 177.752 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 79.6 m-85 -153.55 137.93 16.69 Favored 'General case' 0 CA--C 1.512 -0.484 0 N-CA-C 109.004 -0.739 . . . . 74.04 109.004 173.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.485 ' HE ' HG22 ' A' ' 18' ' ' VAL . 8.9 mmt180 -156.08 166.74 32.55 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 115.627 -0.715 . . . . 74.2 109.978 -173.583 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.72 132.18 48.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.307 -0.406 . . . . 73.11 110.401 -177.626 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 35.2 mmt180 -95.61 117.18 29.98 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.632 -0.507 . . . . 75.22 109.632 -178.055 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.524 ' HB2' ' HA ' ' A' ' 12' ' ' ASP . 61.1 m -103.74 143.71 32.43 Favored 'General case' 0 C--O 1.238 0.466 0 CA-C-O 121.113 0.482 . . . . 73.43 111.202 -174.655 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 28.6 ptt180 -151.83 127.97 10.47 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 115.23 -0.896 . . . . 73.12 109.773 -177.448 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 56.18 32.43 20.2 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 122.9 0.48 . . . . 75.12 111.278 -178.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 85.37 -11.09 61.94 Favored Glycine 0 CA--C 1.521 0.434 0 C-N-CA 121.277 -0.487 . . . . 71.4 113.315 179.247 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 51.0 m-85 -90.62 140.38 29.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 117.187 0.494 . . . . 74.32 109.672 178.663 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 28.6 p -106.58 131.53 53.63 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.997 0.427 . . . . 71.31 110.937 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 33.9 t -103.6 109.79 28.1 Favored 'Isoleucine or valine' 0 C--O 1.237 0.44 0 N-CA-C 109.21 -0.663 . . . . 71.25 109.21 174.702 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 13.7 ptp180 -133.3 119.05 19.25 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.574 -0.739 . . . . 73.23 110.121 -177.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 24.2 mtm180 -119.39 96.13 5.08 Favored 'General case' 0 C--O 1.233 0.215 0 N-CA-C 109.831 -0.433 . . . . 75.21 109.831 178.224 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 22.1 tpp180 -86.48 102.98 14.58 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.215 -0.448 . . . . 63.45 109.825 177.74 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 5.2 tt -125.56 80.22 0.67 Allowed 'Isoleucine or valine' 0 N--CA 1.442 -0.873 0 CA-C-O 121.895 0.855 . . . . 74.43 109.276 177.234 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 12.9 mmt180 . . . . . 0 C--O 1.245 0.84 0 CA-C-N 115.091 -0.959 . . . . 74.55 109.319 -178.765 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.876 0 CA-C-O 120.752 0.311 . . . . 51.55 110.679 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 29.0 p90 -125.12 119.39 28.46 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 108.791 -0.818 . . . . 74.14 108.791 177.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 38.0 pt -90.37 34.88 0.09 OUTLIER 'Isoleucine or valine' 0 C--O 1.236 0.357 0 CA-C-O 121.424 0.631 . . . . 72.12 111.369 -173.667 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -117.29 66.4 0.73 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.643 0.735 . . . . 72.04 110.101 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 86.2 mt -78.5 76.24 5.0 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 108.518 -0.919 . . . . 65.04 108.518 173.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.4 t -74.84 139.55 43.28 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.565 -0.743 . . . . 74.24 110.831 -175.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 92.9 mttt -130.12 110.35 16.78 Favored Pre-proline 0 C--N 1.323 -0.554 0 CA-C-N 115.184 -0.916 . . . . 74.44 109.725 179.084 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.423 ' HB3' ' HA ' ' A' ' 29' ' ' TYR . 14.0 Cg_exo -70.37 -151.24 0.03 OUTLIER 'Trans proline' 0 CA--C 1.534 0.52 0 C-N-CA 123.237 2.625 . . . . 75.23 111.739 177.336 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.543 ' N ' ' HG ' ' A' ' 30' ' ' CYS . 62.9 m -126.67 175.11 8.21 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 116.634 -0.257 . . . . 72.43 110.382 -178.002 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 23.8 mm -68.13 167.24 1.65 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.443 0 N-CA-C 109.319 -0.623 . . . . 70.44 109.319 177.343 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 20.2 m -55.19 160.43 2.16 Favored 'General case' 0 C--O 1.243 0.712 0 CA-C-O 121.714 0.769 . . . . 60.5 112.733 -176.114 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -56.16 -33.24 65.04 Favored 'General case' 0 N--CA 1.461 0.117 0 CA-C-N 115.046 -0.979 . . . . 53.42 111.621 -176.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -55.95 -36.83 68.23 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 121.187 0.518 . . . . 75.52 110.459 177.152 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -80.91 -43.74 19.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.583 -0.735 . . . . 65.23 109.683 -179.761 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 70.7 m -69.41 -15.05 63.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.688 -0.687 . . . . 55.21 111.633 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 45.1 t -67.74 85.46 0.21 Allowed 'General case' 0 C--O 1.236 0.379 0 CA-C-O 121.113 0.483 . . . . 73.35 109.927 178.306 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 31.0 pt -118.53 -168.81 0.47 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.548 0 CA-C-N 115.478 -0.783 . . . . 74.34 110.967 -178.244 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 30.3 m -60.38 153.2 4.82 Favored 'Isoleucine or valine' 0 C--O 1.235 0.317 0 CA-C-N 116.027 -0.533 . . . . 73.51 110.88 177.661 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 35.4 mttm -76.77 -5.66 49.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.265 0.555 . . . . 61.2 110.464 -176.311 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -67.51 -26.12 66.19 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.099 -0.955 . . . . 65.4 110.202 -179.23 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 59.8 m-85 -114.06 145.8 41.09 Favored 'General case' 0 C--O 1.236 0.343 0 N-CA-C 109.043 -0.725 . . . . 74.04 109.043 170.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.599 ' HA ' ' NE ' ' A' ' 22' ' ' ARG . 4.9 mmp_? -114.35 108.22 16.61 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.745 0.783 . . . . 74.2 111.901 -177.327 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -153.98 112.27 3.59 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 114.297 -1.319 . . . . 73.11 108.781 177.143 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 58.6 ttt180 -108.56 100.98 10.17 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.924 0.392 . . . . 75.22 110.224 -175.389 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.553 ' HA ' ' HA ' ' A' ' 30' ' ' CYS . 74.2 m -94.41 145.85 24.48 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.829 -0.623 . . . . 73.43 110.481 179.15 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.738 ' HG3' ' HG3' ' A' ' 27' ' ' LYS . 21.5 tpp180 -170.98 144.62 2.18 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.186 -0.672 . . . . 73.12 109.186 177.378 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.738 ' HG3' ' HG3' ' A' ' 26' ' ' ARG . 26.4 mtpp 58.54 32.35 22.04 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 115.912 -0.585 . . . . 75.12 111.268 175.79 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 86.44 -14.17 55.71 Favored Glycine 0 CA--C 1.522 0.477 0 CA-C-N 115.973 -0.558 . . . . 71.4 113.554 178.37 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.423 ' HA ' ' HB3' ' A' ' 8' ' ' PRO . 74.3 m-85 -103.75 168.87 8.86 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 117.247 0.523 . . . . 74.32 110.217 -178.861 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.553 ' HA ' ' HA ' ' A' ' 25' ' ' CYS . 26.5 p -146.01 121.99 10.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.716 0.293 . . . . 71.31 111.733 -177.203 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 45.2 t -90.2 106.83 17.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 N-CA-C 108.951 -0.759 . . . . 71.25 108.951 171.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 10.1 ptt180 -111.82 116.22 30.32 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.801 -0.636 . . . . 73.23 110.656 -174.545 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.474 ' HE ' ' HA ' ' A' ' 33' ' ' ARG . 2.1 tpm_? -83.87 113.16 20.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.035 -0.53 . . . . 75.21 109.95 179.317 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 61.2 mtp180 -94.05 118.93 32.21 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.819 0.342 . . . . 63.45 110.82 -179.651 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 45.3 mm -74.3 -23.5 18.43 Favored 'Isoleucine or valine' 0 C--O 1.236 0.373 0 N-CA-C 109.137 -0.69 . . . . 74.43 109.137 173.754 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 84.8 mtm180 . . . . . 0 C--O 1.252 1.198 0 CA-C-N 115.0 -1.0 . . . . 74.55 109.416 177.232 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.037 0 N-CA-C 110.257 -0.275 . . . . 51.55 110.257 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 87.3 m-85 -122.2 116.53 24.32 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 108.743 -0.836 . . . . 74.14 108.743 -179.207 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 27.0 pt -86.27 31.35 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 121.427 0.632 . . . . 72.12 111.147 -174.201 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 57.8 tp60 -104.84 121.51 43.81 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.191 -0.913 . . . . 72.04 109.904 -178.233 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 58.5 tp -71.52 96.72 1.56 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.978 0.418 . . . . 65.04 110.584 -179.765 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.9 m -89.78 137.83 32.0 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.969 -0.56 . . . . 74.24 109.81 174.21 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 16.3 ptpt -82.08 138.48 45.93 Favored Pre-proline 0 C--N 1.326 -0.416 0 CA-C-N 116.356 -0.384 . . . . 74.44 110.085 178.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 64.3 Cg_endo -71.44 -177.6 2.51 Favored 'Trans proline' 0 C--N 1.349 0.562 0 C-N-CA 122.705 2.27 . . . . 75.23 112.793 -176.64 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.557 ' SG ' ' N ' ' A' ' 30' ' ' CYS . 35.1 m -113.86 164.9 13.15 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.548 -0.751 . . . . 72.43 110.204 -178.063 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.458 ' O ' ' SG ' ' A' ' 15' ' ' CYS . 9.6 tp -89.1 168.0 1.6 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.638 0 CA-C-N 116.111 -0.495 . . . . 70.44 110.762 -175.637 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.424 ' N ' HG13 ' A' ' 10' ' ' ILE . 15.8 m -58.11 158.65 6.65 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-O 121.411 0.624 . . . . 60.5 112.511 -178.395 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -56.4 -42.42 77.93 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 115.473 -0.785 . . . . 53.42 112.188 -173.163 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.67 ' HE3' ' HA ' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -61.8 -23.05 65.97 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 120.729 0.3 . . . . 75.52 110.894 -179.347 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 34.2 mm-40 -95.93 -23.55 16.81 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.15 -0.477 . . . . 65.23 110.401 178.34 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.458 ' SG ' ' O ' ' A' ' 10' ' ' ILE . 70.8 m -75.82 -5.38 45.63 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.006 -0.543 . . . . 55.21 110.709 175.408 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 20.2 m -71.77 81.81 0.88 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.032 0.444 . . . . 73.35 110.408 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.473 HG13 ' HG2' ' A' ' 19' ' ' LYS . 8.0 tp -120.37 121.96 66.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.49 . . . . 74.34 109.969 178.355 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 58.3 t -84.5 107.55 15.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.098 -0.501 . . . . 73.51 110.439 -178.278 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.473 ' HG2' HG13 ' A' ' 17' ' ' ILE . 34.6 mmtp -138.5 -171.76 3.13 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-N 115.999 -0.546 . . . . 61.2 109.92 179.456 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -69.15 -12.99 62.16 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-O 121.45 0.643 . . . . 65.4 110.091 177.121 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 93.3 m-85 -125.26 173.88 8.49 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 115.17 -0.923 . . . . 74.04 108.996 172.692 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 11.6 ptt85 -145.61 151.26 37.8 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 110.199 -0.297 . . . . 74.2 110.199 173.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.603 ' HB1' ' HG2' ' A' ' 32' ' ' ARG . . . -118.51 159.3 23.77 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 115.974 -0.557 . . . . 73.11 111.923 -172.748 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 29.8 mmt180 -126.89 126.85 43.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.375 -0.83 . . . . 75.22 108.785 172.603 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.657 ' SG ' ' HB3' ' A' ' 30' ' ' CYS . 64.1 m -115.28 133.85 55.66 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.767 0.318 . . . . 73.43 111.365 -174.386 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 16.2 ptp180 -157.05 141.89 16.92 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 115.742 -0.663 . . . . 73.12 109.941 176.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 46.1 mtmt 51.93 33.11 11.01 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 123.215 0.606 . . . . 75.12 111.678 -179.322 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 75.25 20.14 79.19 Favored Glycine 0 CA--C 1.522 0.517 0 C-N-CA 121.102 -0.57 . . . . 71.4 113.183 178.483 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.427 ' O ' ' HA ' ' A' ' 25' ' ' CYS . 68.9 m-85 -122.74 128.38 50.43 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.901 -0.407 . . . . 74.32 109.901 174.678 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.657 ' HB3' ' SG ' ' A' ' 25' ' ' CYS . 15.0 p -113.21 118.07 33.65 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 110.153 -0.314 . . . . 71.31 110.153 177.749 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 60.1 t -109.65 127.91 66.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.262 -0.426 . . . . 71.25 110.549 -179.47 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.603 ' HG2' ' HB1' ' A' ' 23' ' ' ALA . 78.3 mtt85 -105.24 109.78 21.89 Favored 'General case' 0 C--O 1.236 0.368 0 N-CA-C 109.476 -0.564 . . . . 73.23 109.476 175.891 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -76.3 130.79 38.65 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.664 -0.495 . . . . 75.21 109.664 -178.555 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 9.2 mmm180 -65.76 92.55 0.15 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.14 -0.482 . . . . 63.45 110.707 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 58.6 mt -60.37 -36.6 70.17 Favored 'Isoleucine or valine' 0 C--O 1.235 0.292 0 CA-C-O 121.581 0.705 . . . . 74.43 109.239 172.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 8.9 tpt180 . . . . . 0 C--O 1.25 1.082 0 CA-C-N 114.768 -1.106 . . . . 74.55 108.359 173.324 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.036 0 CA-C-O 120.759 0.314 . . . . 51.55 110.56 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 24.8 p90 -145.99 136.43 24.0 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.54 -0.3 . . . . 74.14 110.193 178.274 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 31.7 pt -87.81 41.29 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 121.055 0.455 . . . . 72.12 112.137 -173.457 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 -78.16 77.66 4.66 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.466 0.651 . . . . 72.04 109.495 175.62 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 58.4 tp -99.22 139.82 34.3 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.353 -0.839 . . . . 65.04 110.899 -176.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.7 t -129.77 164.36 24.22 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.242 -0.651 . . . . 74.24 109.242 175.447 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 48.4 mtmt -117.66 150.01 46.09 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.737 -0.21 . . . . 74.44 110.481 -175.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -61.23 174.09 2.15 Favored 'Trans proline' 0 C--N 1.349 0.571 0 C-N-CA 122.968 2.445 . . . . 75.23 112.338 177.473 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.3 p -123.52 -179.72 4.45 Favored 'General case' 0 C--O 1.237 0.429 0 CA-C-N 116.162 -0.472 . . . . 72.43 111.036 -179.163 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 14.3 mm -81.75 162.5 3.43 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.418 0 CA-C-N 116.04 -0.527 . . . . 70.44 110.893 -173.743 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 38.4 p -66.95 164.54 17.38 Favored 'General case' 0 C--O 1.242 0.709 0 N-CA-C 113.189 0.811 . . . . 60.5 113.189 -173.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.888 ' HA ' ' SG ' ' A' ' 15' ' ' CYS . 10.9 p-10 -59.75 -34.19 72.64 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 114.895 -1.048 . . . . 53.42 110.979 -179.669 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 38.4 ttmt -59.21 -21.83 60.1 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 115.825 -0.625 . . . . 75.52 111.066 179.21 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -102.89 -46.78 4.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 65.23 110.515 -176.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.888 ' SG ' ' HA ' ' A' ' 12' ' ' ASP . 6.7 p -70.36 -29.84 66.62 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 116.499 -0.319 . . . . 55.21 111.6 -177.676 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.779 ' HA ' ' HD3' ' A' ' 19' ' ' LYS . 71.1 m -131.72 117.16 18.24 Favored 'General case' 0 CA--C 1.53 0.186 0 CA-C-O 120.756 0.312 . . . . 73.35 111.2 179.558 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 8.9 tt -156.91 116.88 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.264 -0.425 . . . . 74.34 110.199 175.256 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 10.1 m 40.58 29.34 0.11 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.438 0 C-N-CA 124.369 1.068 . . . . 73.51 113.57 177.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.779 ' HD3' ' HA ' ' A' ' 16' ' ' SER . 20.1 ptmt -108.46 163.11 13.5 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.631 -0.713 . . . . 61.2 109.931 -179.087 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -80.97 -28.2 35.72 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 120.79 0.329 . . . . 65.4 110.497 -178.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.572 ' HB2' ' HE2' ' A' ' 19' ' ' LYS . 61.6 m-85 -75.85 154.28 36.23 Favored 'General case' 0 C--O 1.233 0.216 0 N-CA-C 109.392 -0.596 . . . . 74.04 109.392 176.728 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 91.1 mtt180 -135.64 116.66 14.29 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.873 0.368 . . . . 74.2 111.643 -169.574 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -137.76 128.8 27.41 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.696 -0.683 . . . . 73.11 110.042 176.638 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 27.5 ttm180 -101.26 100.94 11.52 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.218 0.532 . . . . 75.22 109.832 176.319 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.706 ' SG ' ' SG ' ' A' ' 30' ' ' CYS . 59.4 m -93.82 121.07 34.9 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.474 -0.785 . . . . 73.43 109.73 179.376 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.605 ' HG3' ' HG3' ' A' ' 27' ' ' LYS . 26.2 tpt180 -158.13 144.65 17.54 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.508 -0.314 . . . . 73.12 110.688 -174.582 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.605 ' HG3' ' HG3' ' A' ' 26' ' ' ARG . 95.0 mttt 60.38 32.62 20.69 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 116.092 -0.504 . . . . 75.12 110.937 175.657 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 84.82 -12.99 55.66 Favored Glycine 0 N--CA 1.453 -0.227 0 CA-C-N 115.861 -0.609 . . . . 71.4 112.736 178.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 64.8 m-85 -102.07 172.28 7.0 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.857 -0.423 . . . . 74.32 109.857 -178.036 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.706 ' SG ' ' SG ' ' A' ' 25' ' ' CYS . 74.8 m -144.43 117.92 9.12 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.366 -0.379 . . . . 71.31 110.361 177.475 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 4.9 p -109.21 114.96 48.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 121.313 0.578 . . . . 71.25 110.229 176.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 38.2 ptt180 -114.87 118.34 33.24 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.852 -0.613 . . . . 73.23 109.836 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 10.8 tpt85 -84.97 96.33 9.34 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.998 -0.547 . . . . 75.21 110.25 -173.404 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 45.9 ttt-85 -87.11 98.4 11.27 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.005 -0.739 . . . . 63.45 109.005 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 61.4 mt -56.13 -55.11 20.27 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.328 0 CA-C-N 116.251 -0.431 . . . . 74.43 111.694 -174.584 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 . . . . . 0 C--O 1.254 1.291 0 CA-C-O 118.869 -0.586 . . . . 74.55 109.902 179.63 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.07 0 N-CA-C 110.366 -0.235 . . . . 51.55 110.366 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -104.98 76.15 1.23 Allowed 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 108.754 -0.832 . . . . 74.14 108.754 179.705 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 52.1 mt -89.3 82.97 2.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.462 -0.79 . . . . 72.12 110.699 -174.465 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 16.9 mm100 -109.97 83.39 1.75 Allowed 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.318 -0.623 . . . . 72.04 109.318 172.267 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 84.1 mt -68.95 118.55 12.01 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-N 116.004 -0.544 . . . . 65.04 110.713 -177.335 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.4 m -69.85 138.28 52.43 Favored 'General case' 0 C--O 1.237 0.413 0 N-CA-C 109.442 -0.577 . . . . 74.24 109.442 175.649 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 65.7 pttt -106.89 154.81 40.01 Favored Pre-proline 0 C--O 1.236 0.374 0 CA-C-N 116.608 -0.269 . . . . 74.44 111.1 -176.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_exo -68.04 171.04 13.11 Favored 'Trans proline' 0 C--O 1.238 0.488 0 C-N-CA 122.743 2.295 . . . . 75.23 111.17 171.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 58.1 m -113.76 -178.59 3.41 Favored 'General case' 0 C--O 1.239 0.521 0 CA-C-O 120.925 0.393 . . . . 72.43 111.024 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.463 ' O ' ' SG ' ' A' ' 15' ' ' CYS . 40.0 mt -71.07 174.76 0.69 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.446 0 N-CA-C 108.562 -0.903 . . . . 70.44 108.562 174.097 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 5.8 m -55.38 155.7 5.0 Favored 'General case' 0 C--O 1.24 0.604 0 CA-C-O 121.114 0.483 . . . . 60.5 111.551 -178.55 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -58.36 -31.36 67.55 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 115.738 -0.664 . . . . 53.42 110.838 -175.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 52.4 mtpt -62.33 -27.95 69.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.39 -0.823 . . . . 75.52 110.752 179.741 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 34.9 mm-40 -102.0 -20.99 14.58 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.991 -0.55 . . . . 65.23 110.843 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.463 ' SG ' ' O ' ' A' ' 10' ' ' ILE . 98.0 m -60.13 -11.74 6.82 Favored 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 112.458 0.54 . . . . 55.21 112.458 -179.279 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 24.4 p -69.16 81.56 0.34 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.291 0.567 . . . . 73.35 109.807 176.205 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 68.2 mt -98.67 -55.28 6.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.525 -0.761 . . . . 74.34 110.005 179.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.627 HG13 ' H ' ' A' ' 20' ' ' ASN . 46.8 t -61.33 136.46 24.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 115.617 -0.719 . . . . 73.51 110.534 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 16.1 tppt? -69.59 -3.27 14.22 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-O 121.249 0.547 . . . . 61.2 111.493 -176.547 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.627 ' H ' HG13 ' A' ' 18' ' ' VAL . 19.8 m120 -97.78 3.11 50.07 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.749 -0.659 . . . . 65.4 109.946 177.296 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 88.4 m-85 53.91 17.77 1.43 Allowed 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 123.678 0.791 . . . . 74.04 112.557 178.321 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 6.9 tpp180 -93.59 85.01 4.76 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-O 121.428 0.632 . . . . 74.2 110.483 -176.756 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -164.23 153.21 13.47 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 114.918 -1.037 . . . . 73.11 109.328 176.198 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 45.5 ttp180 -147.56 132.72 18.34 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.855 0.36 . . . . 75.22 111.172 174.391 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.458 ' HA ' ' O ' ' A' ' 29' ' ' TYR . 81.1 m -118.09 135.14 54.38 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.772 -0.649 . . . . 73.43 110.362 174.565 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 19.3 tpt180 -149.71 136.28 19.24 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.018 -0.734 . . . . 73.12 109.018 179.03 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 60.4 mttp 51.62 32.4 9.1 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 121.419 0.628 . . . . 75.12 109.869 -175.129 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 84.88 -27.42 4.9 Favored Glycine 0 N--CA 1.451 -0.341 0 CA-C-N 115.272 -0.876 . . . . 71.4 113.053 -178.467 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.458 ' O ' ' HA ' ' A' ' 25' ' ' CYS . 8.2 t80 -69.01 146.87 52.35 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 117.088 0.444 . . . . 74.32 110.621 -176.187 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 3.0 m -122.92 137.31 54.98 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.21 -0.45 . . . . 71.31 110.802 -171.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 8.1 p -129.19 129.57 67.63 Favored 'Isoleucine or valine' 0 C--O 1.24 0.6 0 N-CA-C 109.98 -0.378 . . . . 71.25 109.98 174.048 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 5.6 ptp180 -129.88 132.75 46.52 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 115.849 -0.614 . . . . 73.23 110.467 -178.055 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 5.3 mmp_? -118.72 105.73 11.86 Favored 'General case' 0 C--O 1.236 0.342 0 N-CA-C 109.859 -0.423 . . . . 75.21 109.859 178.129 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.466 ' HG3' ' O ' ' A' ' 34' ' ' ARG . 13.9 ptm180 -81.97 85.8 6.65 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-O 121.553 0.692 . . . . 63.45 110.151 178.794 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.439 ' O ' HG12 ' A' ' 35' ' ' ILE . 12.9 tt -75.27 33.27 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.543 0.691 0 CA-C-O 121.623 0.725 . . . . 74.43 110.832 178.59 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.442 ' H ' ' C ' ' A' ' 34' ' ' ARG . 12.8 ptm180 . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.718 -0.658 . . . . 74.55 109.555 -174.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.009 0 CA-C-O 120.742 0.306 . . . . 51.55 110.592 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -92.1 67.06 5.02 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 108.859 -0.793 . . . . 74.14 108.859 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 68.2 mt -67.11 128.97 31.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.135 -0.939 . . . . 72.12 110.845 -173.756 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 89.3 mt-30 -126.61 105.23 8.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 72.04 110.171 178.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 91.9 mt -93.76 140.9 29.11 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.306 -0.627 . . . . 65.04 109.306 175.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.3 m -79.54 132.17 36.23 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.02 0.438 . . . . 74.24 110.57 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.435 ' HA ' ' HD3' ' A' ' 8' ' ' PRO . 0.0 OUTLIER -99.5 143.33 26.24 Favored Pre-proline 0 C--N 1.324 -0.536 0 CA-C-N 115.723 -0.672 . . . . 74.44 109.807 -179.021 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' A' ' 7' ' ' LYS . 21.2 Cg_exo -66.15 166.11 22.11 Favored 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 122.599 2.199 . . . . 75.23 112.048 178.657 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 2.3 p -143.98 -177.21 5.32 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.079 -0.509 . . . . 72.43 110.654 -177.394 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.447 ' CG2' ' HB2' ' A' ' 14' ' ' GLU . 16.9 mt -75.59 160.86 4.96 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.435 0 CA-C-N 116.163 -0.471 . . . . 70.44 110.933 -174.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 16.0 p -89.73 177.6 6.48 Favored 'General case' 0 C--O 1.246 0.9 0 N-CA-C 113.143 0.794 . . . . 60.5 113.143 -173.186 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -49.86 -43.31 49.0 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 115.251 -0.886 . . . . 53.42 110.763 -176.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.5 tppp? -49.88 -33.31 16.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 114.991 -1.004 . . . . 75.52 111.934 -175.632 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.447 ' HB2' ' CG2' ' A' ' 10' ' ' ILE . 42.0 mt-10 -116.74 -8.95 11.35 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 116.541 -0.299 . . . . 65.23 111.441 -174.217 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 71.5 m -80.96 -11.78 59.51 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 116.51 -0.314 . . . . 55.21 110.774 170.426 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 35.9 m -68.56 85.57 0.3 Allowed 'General case' 0 CA--C 1.535 0.402 0 CA-C-O 120.953 0.406 . . . . 73.35 110.465 178.213 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.626 HG21 ' H ' ' A' ' 19' ' ' LYS . 50.0 mm -121.25 147.85 24.92 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.32 0 CA-C-N 115.831 -0.622 . . . . 74.34 109.953 -179.476 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 60.3 t -58.72 -30.51 42.28 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.335 0 CA-C-O 120.962 0.41 . . . . 73.51 111.326 -179.224 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.626 ' H ' HG21 ' A' ' 17' ' ' ILE . 54.7 mtmt -78.54 -3.72 45.08 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 116.181 -0.463 . . . . 61.2 111.435 -179.04 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 85.0 m-20 -110.0 82.56 1.61 Allowed 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 109.312 -0.625 . . . . 65.4 109.312 178.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 74.0 m-85 -57.18 -31.59 65.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.515 -0.766 . . . . 74.04 111.225 -178.15 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 3.9 tmm_? -156.03 106.56 2.43 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.564 -0.532 . . . . 74.2 109.564 177.087 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -154.21 148.28 25.74 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.0 -0.545 . . . . 73.11 110.365 179.184 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 72.1 mtt85 -144.21 123.77 13.23 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 122.838 0.455 . . . . 75.22 109.829 178.545 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.466 ' SG ' ' SG ' ' A' ' 30' ' ' CYS . 31.9 m -119.37 120.45 36.93 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.469 -0.567 . . . . 73.43 109.469 -179.213 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 15.5 ttm180 -147.84 138.6 23.22 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 121.109 -0.236 . . . . 73.12 111.1 -169.638 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 68.4 mttm 54.97 33.19 19.63 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 115.872 -0.604 . . . . 75.12 111.651 177.534 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 93.02 -15.45 62.83 Favored Glycine 0 CA--C 1.516 0.118 0 CA-C-N 115.87 -0.605 . . . . 71.4 113.096 176.36 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 71.3 m-85 -93.74 150.87 20.04 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 110.092 -0.336 . . . . 74.32 110.092 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.466 ' SG ' ' SG ' ' A' ' 25' ' ' CYS . 84.5 m -124.95 123.3 39.59 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-O 120.904 0.383 . . . . 71.31 110.843 176.846 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 48.9 t -110.24 117.54 54.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.721 -0.672 . . . . 71.25 109.779 177.092 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 30.2 ttm180 -136.94 145.5 44.31 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.06 -0.718 . . . . 73.23 109.06 179.145 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 16.7 tpt180 -68.21 89.41 0.32 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.942 0.401 . . . . 75.21 110.023 179.469 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.405 HH11 ' HD3' ' A' ' 34' ' ' ARG . 14.0 ttm-85 -70.01 91.1 0.66 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.96 -0.564 . . . . 63.45 110.122 179.77 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 68.7 mt -65.72 -43.91 93.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.177 -0.465 . . . . 74.43 110.743 179.762 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 23.3 tpp180 . . . . . 0 C--O 1.25 1.13 0 CA-C-O 118.541 -0.742 . . . . 74.55 109.667 179.695 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 0.978 0 CA-C-O 120.698 0.285 . . . . 51.55 110.305 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -120.14 94.31 4.34 Favored 'General case' 0 C--O 1.236 0.345 0 N-CA-C 109.732 -0.47 . . . . 74.14 109.732 179.247 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 7.3 tp -77.55 122.41 32.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 120.965 0.412 . . . . 72.12 110.279 -178.667 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 19.8 mm-40 -131.78 121.58 24.39 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.229 -0.441 . . . . 72.04 110.332 -179.173 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 91.1 mt -113.96 148.85 36.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.113 -0.494 . . . . 65.04 109.812 178.175 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.9 p -116.22 174.82 5.85 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 116.376 -0.375 . . . . 74.24 110.374 -179.743 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 20.1 ptmt -108.03 101.09 39.67 Favored Pre-proline 0 CA--C 1.533 0.314 0 CA-C-N 116.477 -0.329 . . . . 74.44 110.568 179.368 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 69.8 Cg_endo -85.85 -175.25 1.8 Allowed 'Trans proline' 0 C--O 1.236 0.423 0 C-N-CA 122.932 2.421 . . . . 75.23 112.018 178.36 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.433 ' O ' ' HA2' ' A' ' 28' ' ' GLY . 0.8 OUTLIER -144.66 -175.24 4.58 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.233 -0.44 . . . . 72.43 110.949 -178.173 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.0 pp -86.48 179.74 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 N-CA-C 112.631 0.604 . . . . 70.44 112.631 -174.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 54.9 p -94.91 178.35 5.6 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-N 115.5 -0.773 . . . . 60.5 111.256 -177.616 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.529 ' HA ' ' HB3' ' A' ' 15' ' ' CYS . 27.8 m-20 -50.83 -29.67 12.33 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 115.727 -0.67 . . . . 53.42 111.428 178.517 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 32.9 mmtp -65.05 -7.81 13.61 Favored 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 112.431 0.53 . . . . 75.52 112.431 -175.196 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -130.59 -28.8 2.01 Favored 'General case' 0 N--CA 1.47 0.539 0 N-CA-C 109.279 -0.637 . . . . 65.23 109.279 172.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.605 ' SG ' ' HB1' ' A' ' 23' ' ' ALA . 44.4 t -66.4 -51.72 54.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.321 -0.854 . . . . 55.21 110.514 177.249 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 18.9 t -96.42 83.52 3.55 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-O 121.502 0.668 . . . . 73.35 109.999 -179.366 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 7.3 tp -131.65 -34.02 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.216 -0.902 . . . . 74.34 109.534 175.338 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 27.1 m -91.88 140.94 15.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.814 -0.63 . . . . 73.51 110.451 177.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 16.9 ptpt -97.93 11.78 36.29 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.881 -0.599 . . . . 61.2 110.184 176.591 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -72.18 -37.4 69.31 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 115.684 -0.689 . . . . 65.4 110.651 179.654 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 43.0 p90 -146.91 176.97 9.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.986 -0.552 . . . . 74.04 110.482 -179.003 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.637 ' HG3' ' HB2' ' A' ' 33' ' ' ARG . 13.4 ptt180 -109.24 102.2 11.16 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.859 -0.61 . . . . 74.2 110.621 -177.006 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.605 ' HB1' ' SG ' ' A' ' 15' ' ' CYS . . . -107.05 123.03 47.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.784 -0.644 . . . . 73.11 110.475 -179.71 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.97 103.17 11.62 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.228 -0.656 . . . . 75.22 109.228 177.291 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.45 ' HA ' ' HA ' ' A' ' 30' ' ' CYS . 59.4 m -121.2 118.43 29.62 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.874 -0.417 . . . . 73.43 109.874 -178.832 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 19.1 tpt180 -143.07 141.53 31.29 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.757 -0.201 . . . . 73.12 110.842 -174.417 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 33.0 mtmm 54.35 33.01 17.53 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 123.337 0.655 . . . . 75.12 112.136 178.408 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.433 ' HA2' ' O ' ' A' ' 9' ' ' CYS . . . 76.34 14.71 82.09 Favored Glycine 0 CA--C 1.517 0.199 0 CA-C-N 116.176 -0.465 . . . . 71.4 113.271 177.166 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 42.0 t80 -124.38 128.05 48.49 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.496 -0.927 . . . . 74.32 108.496 175.381 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.45 ' HA ' ' HA ' ' A' ' 25' ' ' CYS . 4.8 p -120.56 133.44 55.39 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.569 0.581 . . . . 71.31 112.569 -169.879 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 10.1 m -133.3 119.1 34.1 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.249 0 CA-C-N 115.677 -0.692 . . . . 71.25 109.983 172.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 20.1 ptt180 -101.05 118.65 37.41 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 116.253 -0.431 . . . . 73.23 110.181 179.168 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.637 ' HB2' ' HG3' ' A' ' 22' ' ' ARG . 9.1 mmm180 -86.34 139.16 31.23 Favored 'General case' 0 C--O 1.235 0.299 0 N-CA-C 109.395 -0.594 . . . . 75.21 109.395 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 81.9 mtm180 -85.74 159.07 19.86 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.292 0.568 . . . . 63.45 111.904 -175.073 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 64.3 mt -121.56 -45.24 2.25 Favored 'Isoleucine or valine' 0 C--O 1.236 0.36 0 N-CA-C 107.982 -1.118 . . . . 74.43 107.982 171.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 49.7 ttt180 . . . . . 0 C--O 1.253 1.252 0 CA-C-N 114.882 -1.054 . . . . 74.55 108.966 168.857 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.093 0 N-CA-C 110.314 -0.254 . . . . 51.55 110.314 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 -88.17 56.14 3.72 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.003 -0.74 . . . . 74.14 109.003 -178.694 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.6 pp -65.49 164.26 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.357 -0.838 . . . . 72.12 111.476 -173.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 65.6 tt0 -68.59 103.32 1.67 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.877 -0.601 . . . . 72.04 111.436 -176.01 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 66.6 mt -92.44 -16.11 26.29 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 115.952 -0.567 . . . . 65.04 110.584 175.273 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.0 m -80.04 129.11 34.24 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.513 -0.551 . . . . 74.24 109.513 177.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 48.7 mtmt -115.88 151.08 46.02 Favored Pre-proline 0 C--N 1.323 -0.544 0 CA-C-N 116.267 -0.424 . . . . 74.44 111.396 -171.341 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.426 ' HB2' ' O ' ' A' ' 28' ' ' GLY . 85.5 Cg_endo -80.22 -158.9 0.1 OUTLIER 'Trans proline' 0 C--N 1.35 0.654 0 C-N-CA 122.781 2.321 . . . . 75.23 110.95 171.697 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 56.3 m -136.31 -173.72 3.48 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-O 120.627 0.251 . . . . 72.43 110.425 179.633 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.598 HG12 ' SG ' ' A' ' 15' ' ' CYS . 0.2 OUTLIER -55.38 156.11 1.07 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.409 0 CA-C-N 115.932 -0.576 . . . . 70.44 111.22 176.884 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 61.7 p -71.71 174.33 6.95 Favored 'General case' 0 C--O 1.241 0.619 0 N-CA-C 112.562 0.578 . . . . 60.5 112.562 -171.564 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -50.61 -50.04 55.13 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 115.149 -0.932 . . . . 53.42 111.134 -177.78 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 24.2 tptm -61.32 -24.45 66.45 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.475 -0.784 . . . . 75.52 111.398 -177.625 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -94.12 -29.3 15.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.314 -0.403 . . . . 65.23 110.954 -174.623 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.598 ' SG ' HG12 ' A' ' 10' ' ' ILE . 77.9 m -82.18 79.69 8.6 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-O 120.97 0.414 . . . . 55.21 110.576 177.308 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.402 ' O ' ' HB2' ' A' ' 20' ' ' ASN . 40.0 t -95.39 165.3 12.43 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.874 -0.603 . . . . 73.35 110.634 177.642 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 39.8 pt -78.06 1.36 2.35 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.295 0 CA-C-N 116.097 -0.502 . . . . 74.34 111.681 -176.524 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 57.4 t -48.06 -34.22 4.44 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.52 0 CA-C-O 121.002 0.43 . . . . 73.51 111.533 -179.47 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -148.75 6.84 0.73 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.986 -0.552 . . . . 61.2 110.374 175.56 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.45 ' HB3' ' HB2' ' A' ' 23' ' ' ALA . 91.1 m-20 -121.42 74.9 1.14 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.012 -0.54 . . . . 65.4 110.284 -176.645 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 69.1 t80 -74.33 -41.73 60.62 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.26 -0.644 . . . . 74.04 109.26 177.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 65.6 mtt180 -106.79 85.24 2.12 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-N 115.638 -0.71 . . . . 74.2 109.632 175.765 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.45 ' HB2' ' HB3' ' A' ' 20' ' ' ASN . . . -164.14 131.35 3.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.641 -0.709 . . . . 73.11 110.148 179.467 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 40.2 ttt85 -123.66 100.99 7.06 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 110.01 -0.367 . . . . 75.22 110.01 176.563 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.451 ' HA ' ' O ' ' A' ' 29' ' ' TYR . 60.7 m -106.4 116.25 31.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.796 -0.638 . . . . 73.43 109.384 175.199 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 58.2 mtp85 -137.61 130.89 30.79 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.425 -0.583 . . . . 73.12 109.425 174.527 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm 57.9 33.04 22.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.828 -0.624 . . . . 75.12 110.059 -177.684 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.426 ' O ' ' HB2' ' A' ' 8' ' ' PRO . . . 82.89 -15.88 29.85 Favored Glycine 0 C--N 1.331 0.271 0 CA-C-N 115.618 -0.719 . . . . 71.4 113.041 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.451 ' O ' ' HA ' ' A' ' 25' ' ' CYS . 81.3 m-85 -81.32 128.03 33.38 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 117.051 0.426 . . . . 74.32 109.875 -178.763 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 8.7 p -120.13 128.86 53.83 Favored 'General case' 0 C--O 1.238 0.487 0 CA-C-N 115.976 -0.556 . . . . 71.31 111.768 -170.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 57.6 t -129.66 121.93 53.87 Favored 'Isoleucine or valine' 0 C--O 1.235 0.315 0 CA-C-N 115.812 -0.631 . . . . 71.25 109.824 174.685 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 9.7 mmm180 -91.91 109.71 21.05 Favored 'General case' 0 C--O 1.233 0.187 0 N-CA-C 109.284 -0.636 . . . . 73.23 109.284 177.366 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.432 ' CZ ' ' HA ' ' A' ' 33' ' ' ARG . 2.5 tpm_? -82.95 86.02 7.05 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.949 0.404 . . . . 75.21 110.769 -175.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 22.4 ptt180 -101.6 168.38 9.52 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 109.353 -0.61 . . . . 63.45 109.353 173.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 11.8 tt -62.62 -32.91 57.08 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.508 0 N-CA-C 111.96 0.356 . . . . 74.43 111.96 -173.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 . . . . . 0 C--O 1.248 0.994 0 CA-C-O 118.968 -0.539 . . . . 74.55 109.841 179.96 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.153 0 CA-C-O 120.52 0.2 . . . . 51.55 110.466 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 -125.19 78.72 1.74 Allowed 'General case' 0 CA--C 1.522 -0.129 0 N-CA-C 109.245 -0.65 . . . . 74.14 109.245 -178.387 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 26.3 pt -110.04 165.36 5.74 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.771 0 CA-C-N 116.047 -0.524 . . . . 72.12 110.512 -179.642 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 17.0 mm-40 54.67 50.36 16.05 Favored 'General case' 0 CA--C 1.533 0.299 0 O-C-N 123.589 0.555 . . . . 72.04 111.359 177.36 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -63.27 103.39 0.49 Allowed 'General case' 0 C--O 1.235 0.329 0 CA-C-N 115.894 -0.593 . . . . 65.04 110.125 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.1 m -108.58 161.11 15.38 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.087 -0.506 . . . . 74.24 110.314 -178.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 13.2 mptt -72.56 156.62 90.02 Favored Pre-proline 0 C--O 1.236 0.392 0 CA-C-N 116.311 -0.404 . . . . 74.44 110.482 178.533 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_exo -49.87 167.3 0.21 Allowed 'Trans proline' 0 C--N 1.352 0.737 0 C-N-CA 123.148 2.565 . . . . 75.23 113.712 179.683 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.83 ' SG ' HD11 ' A' ' 10' ' ' ILE . 52.7 t -144.18 -179.95 6.83 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.404 -0.816 . . . . 72.43 109.593 -173.441 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.83 HD11 ' SG ' ' A' ' 9' ' ' CYS . 0.2 OUTLIER -76.76 172.84 1.05 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.292 0 CA-C-O 120.841 0.353 . . . . 70.44 111.265 -176.261 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 20.0 m -91.6 168.48 11.47 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 116.225 -0.443 . . . . 60.5 111.173 -176.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.419 ' N ' ' HB2' ' A' ' 25' ' ' CYS . 25.0 t70 -53.23 -50.57 64.48 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 112.747 0.647 . . . . 53.42 112.747 -169.778 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.777 ' HB3' ' HZ3' ' A' ' 13' ' ' LYS . 4.5 mmmp? -55.63 -31.06 61.99 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 116.336 -0.393 . . . . 75.52 110.608 179.4 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -85.69 -32.53 21.89 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.029 -0.532 . . . . 65.23 109.989 -175.738 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.601 ' SG ' HG12 ' A' ' 10' ' ' ILE . 57.4 m -68.71 -27.2 65.73 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 115.99 -0.55 . . . . 55.21 110.537 177.358 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 18.0 m -80.74 96.13 6.84 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.785 -0.643 . . . . 73.35 110.202 179.176 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.59 HG12 HG23 ' A' ' 18' ' ' VAL . 10.2 tt -148.93 123.5 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.362 -0.381 . . . . 74.34 110.592 179.819 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.59 HG23 HG12 ' A' ' 17' ' ' ILE . 24.2 m 37.21 -65.17 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.542 0.65 0 N-CA-C 115.767 1.766 . . . . 73.51 115.767 -177.508 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.551 ' N ' ' O ' ' A' ' 17' ' ' ILE . 0.9 OUTLIER -84.62 89.39 7.46 Favored 'General case' 0 C--N 1.315 -0.919 0 N-CA-C 109.175 -0.676 . . . . 61.2 109.175 176.195 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 56.1 t30 -82.81 75.57 9.7 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-O 121.515 0.674 . . . . 65.4 110.155 -175.411 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 57.5 t80 -64.89 163.2 14.82 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.199 -0.91 . . . . 74.04 109.912 174.503 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 43.7 ttm180 -81.3 88.91 6.05 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.986 -0.552 . . . . 74.2 109.965 -178.127 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -139.97 175.73 9.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.133 0.492 . . . . 73.11 111.524 -175.715 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 49.8 ttm-85 -151.05 139.45 20.41 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.629 -0.878 . . . . 75.22 108.629 171.615 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.445 ' HA ' ' O ' ' A' ' 29' ' ' TYR . 21.5 m -130.07 134.79 47.61 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.726 0.298 . . . . 73.43 110.466 179.7 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.559 ' HG2' ' HG3' ' A' ' 27' ' ' LYS . 68.7 ttt180 -160.39 143.89 13.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.349 -0.387 . . . . 73.12 109.979 -179.394 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.559 ' HG3' ' HG2' ' A' ' 26' ' ' ARG . 48.2 mtmt 57.33 32.47 21.81 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-O 121.148 0.499 . . . . 75.12 111.013 179.351 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 72.58 20.33 79.48 Favored Glycine 0 N--CA 1.451 -0.338 0 CA-C-N 115.819 -0.628 . . . . 71.4 113.241 -179.672 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.445 ' O ' ' HA ' ' A' ' 25' ' ' CYS . 93.4 m-85 -115.33 127.88 55.72 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.749 -0.463 . . . . 74.32 109.749 175.538 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 89.6 m -106.73 118.1 35.8 Favored 'General case' 0 C--O 1.235 0.306 0 N-CA-C 109.723 -0.473 . . . . 71.31 109.723 175.412 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 9.1 p -121.95 136.71 57.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 121.093 0.473 . . . . 71.25 110.996 -179.482 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 94.4 mtt180 -83.87 113.65 21.09 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.861 -0.609 . . . . 73.23 109.43 176.012 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 85.1 mtm180 -80.52 63.55 5.01 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.619 0.724 . . . . 75.21 110.421 -179.61 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 21.5 tpp180 -91.87 84.08 5.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.405 -0.816 . . . . 63.45 110.272 -179.158 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 49.9 mm -89.96 -43.86 14.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 N-CA-C 108.974 -0.751 . . . . 74.43 108.974 172.435 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 . . . . . 0 C--O 1.246 0.892 0 CA-C-N 115.081 -0.963 . . . . 74.55 108.671 176.142 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.93 0 CA-C-O 121.016 0.436 . . . . 51.55 110.872 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 71.1 t80 -152.57 102.81 2.75 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 108.633 -0.877 . . . . 74.14 108.633 178.179 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 10.7 tt -89.31 121.12 39.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 121.106 0.479 . . . . 72.12 111.032 -175.452 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -127.18 141.72 51.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.825 -0.625 . . . . 72.04 109.534 175.399 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 84.1 mt -90.07 174.71 7.49 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.284 -0.416 . . . . 65.04 110.927 -176.306 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.1 t -84.78 149.06 26.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.034 -0.53 . . . . 74.24 109.67 177.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.516 ' HD2' ' N ' ' A' ' 7' ' ' LYS . 0.1 OUTLIER -101.56 146.87 32.99 Favored Pre-proline 0 C--N 1.326 -0.436 0 CA-C-N 116.446 -0.343 . . . . 74.44 110.419 -176.02 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_endo -64.06 176.4 2.53 Favored 'Trans proline' 0 C--N 1.352 0.746 0 C-N-CA 122.728 2.285 . . . . 75.23 112.402 178.082 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 28.1 m -123.09 -171.67 2.34 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.735 -0.666 . . . . 72.43 110.683 -173.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.45 HG13 ' SG ' ' A' ' 15' ' ' CYS . 24.6 pt -69.76 157.97 6.31 Favored 'Isoleucine or valine' 0 C--O 1.233 0.235 0 CA-C-N 115.918 -0.583 . . . . 70.44 110.472 173.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 9.2 p -92.61 173.56 7.72 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-O 121.005 0.431 . . . . 60.5 111.742 -176.276 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.5 ' O ' ' HB2' ' A' ' 16' ' ' SER . 11.2 t70 -50.73 -30.65 14.43 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 115.34 -0.845 . . . . 53.42 111.149 -178.739 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 23.1 tptm -48.79 -37.59 19.57 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 115.868 -0.605 . . . . 75.52 111.156 177.795 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 30.9 mm-40 -104.59 -46.91 4.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 65.23 111.003 -179.233 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.45 ' SG ' HG13 ' A' ' 10' ' ' ILE . 4.6 p -97.81 86.35 3.75 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.374 0.607 . . . . 55.21 109.959 -178.343 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.5 ' HB2' ' O ' ' A' ' 12' ' ' ASP . 31.1 t -131.85 -174.89 3.55 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.403 -0.817 . . . . 73.35 110.867 -178.866 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.497 ' O ' HG12 ' A' ' 18' ' ' VAL . 13.3 tt -64.55 148.43 11.84 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.575 0 CA-C-N 115.794 -0.639 . . . . 74.34 112.341 -174.827 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.497 HG12 ' O ' ' A' ' 17' ' ' ILE . 2.8 p 58.32 9.91 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.478 0.934 0 C-N-CA 124.981 1.313 . . . . 73.51 113.362 172.731 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -84.14 164.03 19.43 Favored 'General case' 0 C--N 1.327 -0.382 0 O-C-N 121.963 -0.461 . . . . 61.2 110.347 176.15 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -47.2 -59.97 2.8 Favored 'General case' 0 N--CA 1.465 0.317 0 O-C-N 123.547 0.529 . . . . 65.4 112.282 -172.19 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 6.1 p90 -84.8 129.34 34.83 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.224 0.535 . . . . 74.04 111.085 -175.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 13.9 ttm180 -81.46 93.69 6.68 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 115.398 -0.819 . . . . 74.2 110.084 -175.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -149.08 147.19 28.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 73.11 110.701 -179.4 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 22.9 mmt180 -122.76 114.32 20.38 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.682 -0.488 . . . . 75.22 109.682 175.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 64.0 m -101.92 145.86 28.65 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.027 -0.533 . . . . 73.43 110.475 -179.372 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 33.7 ttm-85 -145.8 127.29 15.05 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.408 -0.59 . . . . 73.12 109.408 179.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 46.6 mmtm 50.93 32.89 7.92 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 116.272 -0.422 . . . . 75.12 111.186 178.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 99.9 -27.2 21.36 Favored Glycine 0 CA--C 1.52 0.374 0 CA-C-N 115.793 -0.639 . . . . 71.4 113.532 175.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -87.83 139.82 30.14 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 117.619 0.709 . . . . 74.32 110.765 -176.352 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 28.4 p -106.53 128.35 54.04 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-O 120.878 0.37 . . . . 71.31 111.131 -177.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 61.6 t -114.49 120.17 63.45 Favored 'Isoleucine or valine' 0 C--O 1.235 0.299 0 CA-C-N 115.767 -0.651 . . . . 71.25 109.286 174.759 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 43.2 mtm180 -116.66 114.9 24.7 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 110.15 -0.315 . . . . 73.23 110.15 -178.559 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 6.6 tpp180 -121.93 88.03 2.86 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.612 -0.514 . . . . 75.21 109.612 177.435 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 44.2 ptt85 -84.54 -4.18 58.82 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 115.819 -0.628 . . . . 63.45 110.388 -179.166 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 56.8 mt -80.16 69.75 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 121.971 0.891 . . . . 74.43 110.103 -175.581 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 30.7 mmm180 . . . . . 0 C--O 1.249 1.058 0 CA-C-N 114.46 -1.245 . . . . 74.55 109.255 172.81 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.094 0 N-CA-C 110.081 -0.34 . . . . 51.55 110.081 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 62.2 t80 -112.63 86.44 2.36 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 108.027 -1.101 . . . . 74.14 108.027 177.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 11.0 tt -110.32 130.12 64.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.583 -0.735 . . . . 72.12 111.865 -171.118 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -148.14 142.52 26.31 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 115.551 -0.749 . . . . 72.04 109.145 171.2 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 94.7 mt -62.43 142.24 57.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.943 -0.571 . . . . 65.04 112.355 -171.69 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.7 t -76.76 153.37 35.04 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 115.676 -0.693 . . . . 74.24 109.722 176.656 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.626 ' HD2' ' N ' ' A' ' 7' ' ' LYS . 0.1 OUTLIER -95.22 148.81 35.26 Favored Pre-proline 0 C--O 1.236 0.362 0 CA-C-N 116.511 -0.313 . . . . 74.44 111.162 -172.95 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 7' ' ' LYS . 13.5 Cg_exo -69.37 -171.49 0.44 Allowed 'Trans proline' 0 C--N 1.355 0.879 0 C-N-CA 123.364 2.709 . . . . 75.23 112.707 -178.564 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 64.4 m -119.76 -172.03 2.25 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.508 -0.769 . . . . 72.43 110.999 -176.463 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 30.4 pt -65.5 177.51 0.32 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.272 0 CA-C-N 116.027 -0.533 . . . . 70.44 111.418 178.771 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 14.4 p -96.78 161.57 13.81 Favored 'General case' 0 C--O 1.242 0.667 0 CA-C-N 116.075 -0.511 . . . . 60.5 111.484 -177.258 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.657 ' HA ' ' SG ' ' A' ' 15' ' ' CYS . 30.8 t70 -56.04 -30.81 62.45 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 115.229 -0.896 . . . . 53.42 111.223 179.686 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 23.3 tptm -59.61 -35.26 73.99 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 116.016 -0.538 . . . . 75.52 110.213 178.579 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 31.8 mm-40 -84.64 -47.28 10.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.883 -0.599 . . . . 65.23 109.86 -178.692 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.657 ' SG ' ' HA ' ' A' ' 12' ' ' ASP . 28.1 p -88.62 48.71 1.67 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.185 0.517 . . . . 55.21 109.766 178.896 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 23.3 t -88.21 -170.4 2.95 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.78 -0.645 . . . . 73.35 110.831 -175.213 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.743 HG12 HG11 ' A' ' 18' ' ' VAL . 11.6 tt -54.26 123.24 4.87 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.338 0 CA-C-N 116.017 -0.538 . . . . 74.34 111.738 -177.588 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.743 HG11 HG12 ' A' ' 17' ' ' ILE . 7.8 p 32.4 91.05 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 C-N-CA 124.802 1.241 . . . . 73.51 114.116 177.644 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 34.0 mmtp -103.03 -172.78 2.17 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 114.935 -1.029 . . . . 61.2 109.166 172.711 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -70.08 -10.33 58.37 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-O 121.192 0.52 . . . . 65.4 110.109 176.541 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 34.4 p90 -132.07 139.35 48.49 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.569 -0.741 . . . . 74.04 109.686 177.325 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 40.8 ttm180 -86.7 99.37 11.71 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.907 -0.405 . . . . 74.2 109.907 -179.668 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -145.26 139.47 27.15 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.262 -0.427 . . . . 73.11 110.655 -178.289 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 31.0 mmt180 -130.88 122.99 28.01 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.263 -0.426 . . . . 75.22 109.963 175.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 37.4 m -88.32 145.93 25.57 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.03 -0.532 . . . . 73.43 110.512 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 14.6 ttm180 -137.27 101.14 4.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.281 -0.418 . . . . 73.12 110.294 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 43.4 mmtm 54.48 40.33 31.73 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 121.229 0.538 . . . . 75.12 111.308 176.324 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 100.25 -23.04 37.42 Favored Glycine 0 N--CA 1.453 -0.205 0 CA-C-N 115.743 -0.662 . . . . 71.4 112.851 178.238 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -80.79 165.72 21.63 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.713 -0.476 . . . . 74.32 109.713 176.598 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 13.8 p -136.35 123.33 21.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.849 0.357 . . . . 71.31 110.793 177.318 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 50.3 t -110.76 119.37 59.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.933 -0.576 . . . . 71.25 109.843 176.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 77.7 mtm180 -115.91 109.7 17.96 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.601 -0.518 . . . . 73.23 109.601 177.64 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.2 tpp180 -105.51 87.26 2.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.965 -0.561 . . . . 75.21 111.223 -172.524 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 21.4 ptt180 -97.6 -4.83 36.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.444 -0.798 . . . . 63.45 109.36 171.613 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 22.3 mt -82.01 64.95 0.39 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.195 0 CA-C-N 115.211 -0.904 . . . . 74.43 109.646 -178.156 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 25.4 mmm180 . . . . . 0 C--O 1.246 0.906 0 CA-C-N 115.626 -0.715 . . . . 74.55 109.836 178.731 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.193 0 CA-C-O 120.912 0.387 . . . . 51.55 110.57 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -125.09 88.55 2.9 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.381 -0.6 . . . . 74.14 109.381 177.319 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 42.2 mm -99.45 85.55 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.929 -0.578 . . . . 72.12 109.514 -179.097 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 31.6 mm-40 -110.71 99.91 8.77 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.046 -0.524 . . . . 72.04 109.836 177.748 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 91.2 mt -95.28 95.77 8.72 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.715 -0.675 . . . . 65.04 110.24 -177.475 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.0 t -86.19 -168.42 2.23 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.607 -0.724 . . . . 74.24 109.437 177.458 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.531 ' NZ ' ' HB2' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -144.54 149.39 43.74 Favored Pre-proline 0 C--N 1.327 -0.383 0 CA-C-O 120.562 0.22 . . . . 74.44 110.839 -179.692 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 17.0 Cg_exo -68.8 -176.03 1.11 Allowed 'Trans proline' 0 C--N 1.348 0.533 0 C-N-CA 122.737 2.291 . . . . 75.23 110.674 169.355 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 53.4 m -113.97 171.69 7.44 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.786 0.327 . . . . 72.43 110.556 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.52 ' O ' ' SG ' ' A' ' 15' ' ' CYS . 18.5 tt -62.92 167.86 0.82 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.597 0 CA-C-N 115.598 -0.728 . . . . 70.44 110.849 -177.463 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -56.43 155.43 7.11 Favored 'General case' 0 CA--C 1.543 0.686 0 CA-C-O 121.723 0.773 . . . . 60.5 112.938 -175.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 18.9 p-10 -53.41 -47.09 69.88 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 114.768 -1.105 . . . . 53.42 112.688 -170.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 31.5 mtmm -65.38 -23.28 66.93 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.154 -0.476 . . . . 75.52 110.815 -176.431 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -90.22 -31.61 16.94 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.11 -0.496 . . . . 65.23 110.01 -177.219 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.52 ' SG ' ' O ' ' A' ' 10' ' ' ILE . 59.4 m -72.47 -19.38 61.57 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 115.8 -0.636 . . . . 55.21 110.384 174.326 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 38.7 t -74.04 81.2 1.72 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.936 -0.574 . . . . 73.35 110.553 -179.479 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 6.9 tp -94.84 134.98 30.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.583 -0.735 . . . . 74.34 109.323 173.251 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 13.4 m -105.5 76.43 0.45 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.339 0 CA-C-O 121.249 0.547 . . . . 73.51 111.497 -176.67 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 38.9 mmtm -148.39 56.71 1.05 Allowed 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 115.934 -0.576 . . . . 61.2 110.777 178.166 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 43.5 m-80 73.88 -64.81 0.38 Allowed 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 123.639 0.776 . . . . 65.4 111.664 175.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 7.7 p90 -62.78 137.62 58.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.872 0.368 . . . . 74.04 110.223 -179.7 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.426 ' HA ' ' CZ ' ' A' ' 22' ' ' ARG . 2.5 tpm_? -113.54 97.02 6.18 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.123 0.487 . . . . 74.2 111.93 -174.389 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -96.12 123.29 39.67 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.999 -1.112 . . . . 73.11 107.999 166.34 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.87 116.81 17.68 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.976 0.417 . . . . 75.22 109.929 -176.691 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.62 ' SG ' ' HB3' ' A' ' 30' ' ' CYS . 71.7 m -91.8 113.32 25.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.902 -0.59 . . . . 73.43 110.873 179.281 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 15.4 ptt180 -112.71 121.15 43.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.914 -0.584 . . . . 73.12 109.831 176.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 56.2 mtpt 56.5 32.91 21.64 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 116.071 -0.513 . . . . 75.12 110.921 178.274 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 92.1 -23.26 27.66 Favored Glycine 0 C--N 1.334 0.42 0 CA-C-N 115.935 -0.575 . . . . 71.4 112.504 179.139 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 95.7 m-85 -89.8 128.02 36.07 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 109.989 -0.374 . . . . 74.32 109.989 -178.265 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.62 ' HB3' ' SG ' ' A' ' 25' ' ' CYS . 1.8 p -106.7 129.17 54.64 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.346 -0.388 . . . . 71.31 111.298 -171.688 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 34.8 m -108.81 141.17 24.79 Favored 'Isoleucine or valine' 0 C--O 1.236 0.351 0 CA-C-N 116.011 -0.54 . . . . 71.25 110.23 176.106 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 13.2 ptt180 -114.1 109.59 18.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.208 0.528 . . . . 73.23 110.324 179.635 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.449 ' HD2' ' OXT' ' A' ' 36' ' ' ARG . 31.3 mmt180 -95.18 136.07 35.97 Favored 'General case' 0 C--O 1.237 0.429 0 CA-C-N 115.658 -0.701 . . . . 75.21 110.779 -177.174 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.444 ' HG3' ' H ' ' A' ' 35' ' ' ILE . 29.4 ptt180 -157.57 -58.57 0.08 Allowed 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 116.434 -0.348 . . . . 63.45 111.418 -179.019 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.444 ' H ' ' HG3' ' A' ' 34' ' ' ARG . 3.9 tp -81.39 -33.16 12.37 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.5 0 N-CA-C 108.619 -0.882 . . . . 74.43 108.619 174.691 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.449 ' OXT' ' HD2' ' A' ' 33' ' ' ARG . 31.8 ttm180 . . . . . 0 C--O 1.252 1.219 0 CA-C-N 114.274 -1.33 . . . . 74.55 107.53 171.621 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.078 0 N-CA-C 110.057 -0.349 . . . . 51.55 110.057 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 61.5 m-85 -89.02 60.69 5.54 Favored 'General case' 0 C--O 1.233 0.211 0 N-CA-C 108.746 -0.835 . . . . 74.14 108.746 -177.204 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 32.0 pt -72.33 140.12 18.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.104 -0.953 . . . . 72.12 111.373 -173.613 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 52.0 mt-30 -123.99 128.79 49.9 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.855 -0.611 . . . . 72.04 109.886 178.628 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 46.1 tp -96.11 102.9 14.75 Favored 'General case' 0 C--O 1.237 0.428 0 N-CA-C 109.649 -0.5 . . . . 65.04 109.649 176.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.3 t -74.34 154.3 38.93 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.846 -0.615 . . . . 74.24 110.162 -177.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 56.8 tptt -101.27 103.64 27.73 Favored Pre-proline 0 C--O 1.236 0.368 0 CA-C-N 116.295 -0.411 . . . . 74.44 110.337 178.206 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -91.86 -169.18 0.26 Allowed 'Trans proline' 0 N--CA 1.457 -0.649 0 C-N-CA 122.971 2.447 . . . . 75.23 111.43 174.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 97.0 m -146.77 158.76 43.99 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.207 -0.451 . . . . 72.43 110.349 177.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 26.8 mm -87.34 165.96 2.02 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.315 0 N-CA-C 108.954 -0.758 . . . . 70.44 108.954 177.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 32.4 p -55.65 168.42 0.42 Allowed 'General case' 0 C--O 1.243 0.756 0 CA-C-O 121.834 0.826 . . . . 60.5 112.912 -174.55 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -55.36 -31.06 61.45 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 114.959 -1.018 . . . . 53.42 110.86 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.7 ' HZ2' ' HB3' ' A' ' 13' ' ' LYS . 8.3 mtpm? -57.46 -34.34 68.9 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 115.737 -0.665 . . . . 75.52 111.291 177.814 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.2 tp10 -88.84 -42.21 12.01 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 115.977 -0.556 . . . . 65.23 110.263 -179.556 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 90.5 m -60.41 -31.01 69.98 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 116.037 -0.529 . . . . 55.21 111.379 -179.535 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 11.3 p -70.65 93.28 0.91 Allowed 'General case' 0 C--O 1.235 0.328 0 CA-C-O 121.068 0.461 . . . . 73.35 110.421 177.544 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 9.8 tp -130.94 160.05 42.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.612 -0.722 . . . . 74.34 109.246 -179.814 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.552 HG11 ' HG2' ' A' ' 19' ' ' LYS . 48.4 t -56.3 136.65 18.83 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.335 0 O-C-N 123.228 0.33 . . . . 73.51 111.385 -177.55 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.552 ' HG2' HG11 ' A' ' 18' ' ' VAL . 13.7 mmmm 59.87 38.95 20.96 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 115.611 -0.722 . . . . 61.2 111.928 -179.511 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 58.8 t30 -137.66 101.92 4.61 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 108.742 -0.836 . . . . 65.4 108.742 177.029 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 84.9 m-85 -52.62 171.38 0.06 Allowed 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 114.564 -1.198 . . . . 74.04 111.704 179.15 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 21.0 mmm180 -81.31 114.73 20.29 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.559 0.695 . . . . 74.2 112.71 -168.094 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -123.86 144.5 49.71 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 114.526 -1.216 . . . . 73.11 108.369 174.412 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.49 100.94 13.13 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.956 0.407 . . . . 75.22 109.979 -171.313 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 39.9 m -104.29 128.25 52.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.733 -0.667 . . . . 73.43 110.018 177.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.519 ' HG2' ' HG3' ' A' ' 27' ' ' LYS . 65.2 ttt180 -168.43 145.09 3.85 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 116.37 -0.377 . . . . 73.12 110.099 -177.462 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.519 ' HG3' ' HG2' ' A' ' 26' ' ' ARG . 54.2 mtpt 62.4 32.9 16.63 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 122.928 0.491 . . . . 75.12 110.942 177.105 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 78.53 -0.97 73.95 Favored Glycine 0 CA--C 1.519 0.282 0 CA-C-N 115.878 -0.601 . . . . 71.4 112.959 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -106.46 157.89 17.31 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.755 0.312 . . . . 74.32 110.287 179.753 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 4.9 p -135.99 117.71 15.02 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-N 116.131 -0.486 . . . . 71.31 110.03 178.231 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 59.3 t -112.25 122.58 66.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.259 -0.428 . . . . 71.25 110.659 -177.12 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.496 ' HD3' ' N ' ' A' ' 32' ' ' ARG . 0.5 OUTLIER -93.9 118.78 31.94 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.033 -0.729 . . . . 73.23 109.033 176.513 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 33.9 mtp-105 -58.3 133.61 55.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.075 -0.511 . . . . 75.21 110.819 -176.38 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 6.8 ptm180 -87.44 152.08 22.53 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.968 -0.56 . . . . 63.45 110.402 -177.718 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 13.0 tt -54.35 -37.04 35.76 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.432 0 C-N-CA 122.978 0.511 . . . . 74.43 111.879 -177.737 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 54.5 mtp180 . . . . . 0 C--O 1.246 0.871 0 CA-C-O 118.538 -0.744 . . . . 74.55 109.713 -179.384 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.029 0 N-CA-C 110.499 -0.186 . . . . 51.55 110.499 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -136.0 72.97 1.44 Allowed 'General case' 0 C--O 1.233 0.229 0 CA-C-O 121.16 0.505 . . . . 74.14 109.692 178.592 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 31.1 pt -75.44 156.31 6.04 Favored 'Isoleucine or valine' 0 C--O 1.236 0.355 0 CA-C-N 115.638 -0.71 . . . . 72.12 110.69 -178.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -111.71 131.74 55.1 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.062 -0.517 . . . . 72.04 109.714 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -82.42 143.77 30.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.02 0.438 . . . . 65.04 111.203 -176.422 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 44.4 m -113.91 139.81 48.89 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 108.93 -0.767 . . . . 74.24 108.93 175.002 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.507 ' H ' ' HD3' ' A' ' 7' ' ' LYS . 0.2 OUTLIER -134.69 158.63 74.63 Favored Pre-proline 0 C--N 1.327 -0.384 0 N-CA-C 110.12 -0.326 . . . . 74.44 110.12 -175.661 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 61.8 Cg_endo -72.51 -168.2 0.38 Allowed 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 122.352 2.035 . . . . 75.23 111.905 176.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 92.3 m -114.12 -171.92 2.0 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.209 -0.451 . . . . 72.43 110.337 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.439 HD12 ' HB3' ' A' ' 14' ' ' GLU . 1.6 pp -76.32 179.03 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.922 -0.581 . . . . 70.44 111.681 178.276 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 14.0 m -72.81 158.65 35.15 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-N 115.984 -0.553 . . . . 60.5 111.55 -176.555 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -56.17 -37.22 69.27 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 116.023 -0.535 . . . . 53.42 111.142 -176.433 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 46.6 mmtm -61.16 -29.86 70.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.972 -0.558 . . . . 75.52 110.118 178.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.439 ' HB3' HD12 ' A' ' 10' ' ' ILE . 6.7 tp10 -89.15 -22.34 22.88 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 115.667 -0.697 . . . . 65.23 109.884 178.421 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 65.9 m -71.91 10.37 0.72 Allowed 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 116.022 -0.535 . . . . 55.21 111.772 177.449 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 29.2 t -68.25 81.71 0.24 Allowed 'General case' 0 CA--C 1.533 0.315 0 CA-C-O 121.05 0.452 . . . . 73.35 110.436 179.427 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 66.5 mt -91.6 116.89 33.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.831 -0.622 . . . . 74.34 109.678 177.568 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 25.3 t -82.53 73.4 0.82 Allowed 'Isoleucine or valine' 0 C--O 1.238 0.468 0 CA-C-O 121.492 0.663 . . . . 73.51 110.41 -179.08 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -141.94 179.16 7.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.128 -0.942 . . . . 61.2 109.458 177.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -77.06 -25.59 52.58 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.735 -0.469 . . . . 65.4 109.735 176.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 96.0 m-85 -75.99 137.82 40.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.668 -0.696 . . . . 74.04 109.861 176.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 15.6 tpp180 -128.39 133.0 48.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.475 -0.329 . . . . 74.2 110.174 -178.467 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -114.74 172.49 7.0 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.306 -0.406 . . . . 73.11 110.785 -179.04 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 40.2 mmm-85 -122.89 127.89 49.58 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.136 -0.69 . . . . 75.22 109.136 178.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 67.6 m -125.28 134.08 52.42 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.769 0.319 . . . . 73.43 110.585 179.452 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 55.7 ttt180 -158.11 133.12 8.57 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.505 -0.554 . . . . 73.12 109.505 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.656 ' HZ3' ' HB3' ' A' ' 27' ' ' LYS . 3.2 mmmp? 54.98 32.34 17.87 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-O 121.172 0.51 . . . . 75.12 110.098 -176.732 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 77.9 -19.33 4.34 Favored Glycine 0 CA--C 1.522 0.504 0 CA-C-N 115.82 -0.627 . . . . 71.4 112.72 -177.341 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 7.9 t80 -68.14 134.27 50.27 Favored 'General case' 0 C--O 1.236 0.382 0 O-C-N 122.483 -0.422 . . . . 74.32 110.342 -179.454 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.1 p -111.24 118.69 36.61 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.053 -0.521 . . . . 71.31 110.956 -176.545 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 61.7 t -113.74 139.95 36.69 Favored 'Isoleucine or valine' 0 C--O 1.233 0.232 0 CA-C-N 115.633 -0.712 . . . . 71.25 109.569 178.027 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.466 ' HG3' ' HB3' ' A' ' 34' ' ' ARG . 28.5 ptt180 -140.31 146.46 38.54 Favored 'General case' 0 C--O 1.235 0.336 0 N-CA-C 110.353 -0.24 . . . . 73.23 110.353 -177.679 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.456 ' HG3' ' O ' ' A' ' 33' ' ' ARG . 32.0 ptt85 -75.28 91.58 2.69 Favored 'General case' 0 CA--C 1.53 0.203 0 N-CA-C 108.708 -0.849 . . . . 75.21 108.708 171.637 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.466 ' HB3' ' HG3' ' A' ' 32' ' ' ARG . 32.6 ptt180 -102.34 144.83 30.33 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.826 -0.625 . . . . 63.45 111.959 -170.313 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.531 HG21 ' HG3' ' A' ' 36' ' ' ARG . 5.2 tp -98.06 -20.42 5.6 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.99 0 N-CA-C 108.222 -1.029 . . . . 74.43 108.222 165.491 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.531 ' HG3' HG21 ' A' ' 35' ' ' ILE . 18.7 mtp180 . . . . . 0 C--O 1.247 0.924 0 CA-C-N 114.602 -1.181 . . . . 74.55 109.481 179.75 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.09 0 N-CA-C 110.451 -0.203 . . . . 51.55 110.451 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 99.7 m-85 -130.51 104.67 7.37 Favored 'General case' 0 C--O 1.235 0.336 0 N-CA-C 109.705 -0.48 . . . . 74.14 109.705 -179.745 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 61.9 mt -76.42 90.87 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 120.999 0.428 . . . . 72.12 109.994 178.53 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.447 ' O ' ' HG2' ' A' ' 4' ' ' GLN . 0.0 OUTLIER -71.49 86.85 0.87 Allowed 'General case' 0 CA--C 1.531 0.244 0 CA-C-O 121.604 0.716 . . . . 72.04 110.093 178.329 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.0 tt -74.69 117.22 16.28 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.322 -0.854 . . . . 65.04 110.152 -178.654 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.1 m -150.26 131.84 14.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.875 -0.602 . . . . 74.24 109.665 175.013 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.48 ' O ' ' SG ' ' A' ' 30' ' ' CYS . 67.0 mttm -118.54 124.2 28.66 Favored Pre-proline 0 C--N 1.32 -0.677 0 CA-C-N 115.755 -0.657 . . . . 74.44 110.034 -175.824 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.533 ' HA ' ' O ' ' A' ' 28' ' ' GLY . 15.5 Cg_endo -56.26 126.76 23.41 Favored 'Trans proline' 0 C--N 1.352 0.746 0 C-N-CA 122.685 2.256 . . . . 75.23 111.587 -179.17 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.685 ' SG ' ' HB3' ' A' ' 25' ' ' CYS . 19.8 p -122.08 170.8 9.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.983 0.42 . . . . 72.43 111.471 -177.134 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 6.2 mm -87.09 177.25 0.61 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.613 0 CA-C-N 115.848 -0.615 . . . . 70.44 110.033 -174.779 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 13.8 m -55.38 162.57 1.48 Allowed 'General case' 0 CA--C 1.538 0.482 0 N-CA-C 112.554 0.575 . . . . 60.5 112.554 -176.42 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -54.94 -35.25 64.03 Favored 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 112.798 0.666 . . . . 53.42 112.798 -172.708 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.401 ' HE2' ' HB3' ' A' ' 13' ' ' LYS . 16.8 ptpt -61.24 -22.81 65.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.806 0.336 . . . . 75.52 111.261 179.816 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 25.8 mm-40 -92.49 -40.31 10.9 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.306 -0.627 . . . . 65.23 109.306 174.201 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.508 ' HB2' ' HB2' ' A' ' 25' ' ' CYS . 34.3 t -51.81 -54.36 29.78 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 114.685 -1.143 . . . . 55.21 111.094 -178.522 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.501 ' HB3' ' HB3' ' A' ' 23' ' ' ALA . 35.4 p -120.14 89.13 3.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.026 -0.534 . . . . 73.35 110.714 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 10.1 tt -122.0 -42.8 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.876 -0.602 . . . . 74.34 109.587 173.541 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.7 p -79.12 -39.3 21.19 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.187 0 CA-C-N 115.959 -0.564 . . . . 73.51 110.532 177.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 54.8 mtmt -135.81 102.72 5.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.798 -0.637 . . . . 61.2 109.936 179.645 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.489 ' HA ' ' HB2' ' A' ' 16' ' ' SER . 2.4 p-10 -104.3 80.18 1.68 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.332 0.587 . . . . 65.4 110.773 -178.243 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 5.1 p90 -113.79 -68.18 0.94 Allowed 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 115.54 -0.755 . . . . 74.04 109.779 176.087 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 69.3 mtp180 -151.21 85.41 1.33 Allowed 'General case' 0 C--O 1.235 0.33 0 N-CA-C 109.604 -0.517 . . . . 74.2 109.604 176.685 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.501 ' HB3' ' HB3' ' A' ' 16' ' ' SER . . . -142.02 118.68 11.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.791 -0.641 . . . . 73.11 109.67 179.073 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 78.5 mtp180 -125.6 100.93 6.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.031 0.444 . . . . 75.22 110.289 -177.243 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.685 ' HB3' ' SG ' ' A' ' 9' ' ' CYS . 63.0 m -113.49 143.35 44.67 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 108.843 -0.799 . . . . 73.43 108.843 175.491 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 20.6 ttt180 -170.87 126.87 0.72 Allowed 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.935 -0.306 . . . . 73.12 111.321 -172.201 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 52.3 mttm 54.98 34.94 23.49 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 115.83 -0.623 . . . . 75.12 112.046 177.367 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.533 ' O ' ' HA ' ' A' ' 8' ' ' PRO . . . 94.05 -24.83 24.9 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.99 -0.624 . . . . 71.4 112.093 179.142 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 44.5 m-85 -76.66 152.61 35.73 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 110.132 -0.322 . . . . 74.32 110.132 -178.333 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.48 ' SG ' ' O ' ' A' ' 7' ' ' LYS . 31.0 m -134.07 129.7 36.4 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 116.243 -0.435 . . . . 71.31 111.003 -174.298 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 48.5 t -132.58 114.32 22.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.043 -0.526 . . . . 71.25 109.683 173.462 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.3 tmm_? -141.84 113.28 7.67 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 107.87 -1.159 . . . . 73.23 107.87 178.769 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.474 ' HG2' ' H ' ' A' ' 34' ' ' ARG . 11.0 ttt180 -134.11 -168.6 2.16 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.049 0.452 . . . . 75.21 111.176 -170.407 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.474 ' H ' ' HG2' ' A' ' 33' ' ' ARG . 26.8 ptt180 -103.74 -165.97 1.21 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.176 -0.92 . . . . 63.45 110.251 -177.539 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 13.6 tt -53.63 -23.85 8.59 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.504 0 C-N-CA 123.501 0.721 . . . . 74.43 112.129 179.453 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.544 ' NE ' ' HA ' ' A' ' 36' ' ' ARG . 2.8 mmp_? . . . . . 0 C--O 1.246 0.898 0 CA-C-O 118.245 -0.883 . . . . 74.55 110.13 178.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.457 ' HB3' HD13 ' A' ' 3' ' ' ILE . . . . . . . . 0 N--CA 1.481 1.105 0 N-CA-C 110.234 -0.284 . . . . 51.55 110.234 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -109.69 23.7 14.06 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 120.703 0.287 . . . . 74.14 111.218 -175.004 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.457 HD13 ' HB3' ' A' ' 1' ' ' ALA . 2.0 mp -72.04 108.04 3.3 Favored 'Isoleucine or valine' 0 C--O 1.236 0.361 0 N-CA-C 110.015 -0.365 . . . . 72.12 110.015 178.185 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -89.05 160.65 16.97 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.257 -0.429 . . . . 72.04 109.914 177.322 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -75.32 117.81 17.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.451 -0.34 . . . . 65.04 110.33 -178.669 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.2 m -57.96 147.89 27.62 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-N 116.151 -0.477 . . . . 74.24 110.929 178.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 26.7 mtpp -117.52 96.43 49.34 Favored Pre-proline 0 C--N 1.331 -0.197 0 CA-C-N 116.105 -0.498 . . . . 74.44 111.265 179.375 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_endo -80.74 -166.19 0.39 Allowed 'Trans proline' 0 N--CA 1.461 -0.392 0 C-N-CA 122.84 2.36 . . . . 75.23 110.249 169.314 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.42 ' SG ' ' N ' ' A' ' 10' ' ' ILE . 51.7 t -113.94 -178.36 3.35 Favored 'General case' 0 C--N 1.313 -0.988 0 N-CA-C 108.564 -0.902 . . . . 72.43 108.564 178.13 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.722 HD13 ' HG2' ' A' ' 14' ' ' GLU . 12.8 tt -98.86 161.06 3.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 C-N-CA 120.648 -0.421 . . . . 70.44 110.523 -176.567 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 15.5 m -56.6 155.75 7.07 Favored 'General case' 0 CA--C 1.535 0.396 0 N-CA-C 113.095 0.776 . . . . 60.5 113.095 -171.537 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.413 ' HA ' ' SG ' ' A' ' 15' ' ' CYS . 4.6 p-10 -53.43 -41.28 65.91 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 115.0 -1.0 . . . . 53.42 111.605 -179.576 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 17.5 ttpp -55.24 -34.81 64.32 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.285 0.564 . . . . 75.52 110.709 177.716 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.722 ' HG2' HD13 ' A' ' 10' ' ' ILE . 17.1 tp10 -94.6 -13.91 25.49 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.685 -0.689 . . . . 65.23 110.042 -176.869 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.413 ' SG ' ' HA ' ' A' ' 12' ' ' ASP . 72.0 m -70.07 -51.43 31.95 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 116.091 -0.504 . . . . 55.21 110.402 172.362 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 15.8 m -102.89 91.73 4.27 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 116.025 -0.534 . . . . 73.35 111.177 -176.581 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.428 ' N ' HD13 ' A' ' 17' ' ' ILE . 3.4 mp -90.8 70.47 0.7 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.153 0 N-CA-C 108.952 -0.759 . . . . 74.34 108.952 178.232 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 9.7 m 40.72 24.84 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.416 0 C-N-CA 124.343 1.057 . . . . 73.51 112.904 -175.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.0 tppp? -98.15 152.45 19.34 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.669 -0.696 . . . . 61.2 110.285 -176.104 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -77.32 67.16 3.22 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-O 121.423 0.63 . . . . 65.4 111.056 179.697 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 49.0 m-85 -147.38 152.66 38.53 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 108.552 -0.907 . . . . 74.04 108.552 174.392 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 38.3 ttm180 -142.74 129.94 20.93 Favored 'General case' 0 C--O 1.238 0.454 0 CA-C-O 121.275 0.56 . . . . 74.2 111.398 -176.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -149.31 155.07 39.96 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 114.912 -1.04 . . . . 73.11 108.379 176.102 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 70.8 ttt180 -95.02 102.6 14.42 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.811 0.339 . . . . 75.22 110.334 -176.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.474 ' SG ' ' SG ' ' A' ' 30' ' ' CYS . 32.0 m -102.78 113.36 26.72 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.84 -0.618 . . . . 73.43 109.766 177.411 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.44 ' NH1' ' HD1' ' A' ' 29' ' ' TYR . 2.4 tmm_? -134.28 126.09 29.04 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.87 -0.418 . . . . 73.12 109.87 -177.742 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 53.3 mtpt 55.76 32.88 20.34 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 123.17 0.588 . . . . 75.12 110.91 -175.493 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 78.9 0.42 81.61 Favored Glycine 0 C--O 1.224 -0.473 0 CA-C-N 115.871 -0.604 . . . . 71.4 113.179 178.172 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.44 ' HD1' ' NH1' ' A' ' 26' ' ' ARG . 25.5 m-85 -94.68 127.95 41.02 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 108.001 -1.111 . . . . 74.32 108.001 174.865 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.474 ' SG ' ' SG ' ' A' ' 25' ' ' CYS . 83.7 m -108.67 129.48 55.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.79 0.329 . . . . 71.31 111.004 -177.381 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 16.8 m -134.76 120.53 31.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 N-CA-C 109.477 -0.564 . . . . 71.25 109.477 174.358 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 33.7 ttt180 -81.65 109.67 16.29 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 110.027 -0.36 . . . . 73.23 110.027 -178.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -119.86 89.04 3.05 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.733 -0.84 . . . . 75.21 108.733 177.467 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.51 154.76 26.13 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.015 -0.735 . . . . 63.45 109.015 177.203 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 64.0 mt -51.08 -52.75 17.09 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.266 0 O-C-N 123.435 0.459 . . . . 74.43 111.138 -175.767 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 11.7 ptp180 . . . . . 0 C--O 1.25 1.088 0 CA-C-O 118.911 -0.566 . . . . 74.55 109.5 178.526 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.421 ' HA ' ' HD3' ' A' ' 8' ' ' PRO . 18.1 ptpt . . . . . 0 C--O 1.233 0.187 0 N-CA-C 110.356 -0.238 . . . . 74.44 110.356 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 7' ' ' LYS . 24.3 Cg_exo -64.86 -178.18 0.7 Allowed 'Trans proline' 0 C--N 1.35 0.609 0 C-N-CA 123.083 2.522 . . . . 75.23 113.155 -178.251 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.409 ' HB3' HD13 ' A' ' 10' ' ' ILE . 97.0 m -113.76 -179.34 3.61 Favored 'General case' 0 C--O 1.238 0.452 0 CA-C-N 115.919 -0.582 . . . . 72.43 110.768 178.702 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.56 HG12 ' SG ' ' A' ' 15' ' ' CYS . 0.2 OUTLIER -57.32 164.35 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.392 0 CA-C-N 116.035 -0.53 . . . . 70.44 111.747 178.387 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 14.8 m -70.58 160.19 32.96 Favored 'General case' 0 C--O 1.239 0.544 0 CA-C-N 115.729 -0.669 . . . . 60.5 111.569 -176.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -55.25 -35.03 64.55 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 115.775 -0.648 . . . . 53.42 110.767 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 51.5 mtpt -54.05 -38.6 65.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.523 -0.762 . . . . 75.52 110.655 176.51 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -89.78 -25.12 21.27 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.468 -0.787 . . . . 65.23 110.168 -176.828 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.56 ' SG ' HG12 ' A' ' 10' ' ' ILE . 36.9 m -79.95 9.29 5.55 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 115.89 -0.595 . . . . 55.21 111.48 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 48.9 m -102.87 177.33 4.87 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-O 120.77 0.319 . . . . 42.34 111.11 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 33.7 pt -66.22 -1.19 1.04 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.403 0 CA-C-N 116.117 -0.492 . . . . 74.34 112.255 -172.109 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 38.9 t -55.99 -36.08 43.27 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.239 0 CA-C-O 121.283 0.563 . . . . 73.51 109.89 173.812 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -101.25 12.07 38.19 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 115.481 -0.781 . . . . 61.2 111.091 179.402 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 77.88 -8.11 1.72 Allowed 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 123.649 0.78 . . . . 65.4 111.527 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 90.4 m-85 -94.13 173.22 7.76 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.421 -0.354 . . . . 61.22 110.979 178.643 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 11.3 ptt180 -153.58 98.92 2.27 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-O 121.46 0.648 . . . . 74.15 110.754 -179.134 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -137.49 163.9 30.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.837 -0.619 . . . . 72.32 110.038 179.002 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 53.6 ttt180 -103.91 112.13 24.97 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.357 -0.609 . . . . 75.22 109.357 178.659 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.446 ' HA ' ' O ' ' A' ' 29' ' ' TYR . 70.9 m -117.37 118.51 32.43 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.26 0.553 . . . . 73.43 110.152 -178.625 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 57.5 ttt180 -135.32 117.36 15.34 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.57 -0.741 . . . . 73.12 110.087 -175.202 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt 56.33 32.97 21.47 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 121.365 0.602 . . . . 75.12 110.526 -178.268 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 91.31 -20.95 37.48 Favored Glycine 0 N--CA 1.45 -0.381 0 CA-C-N 115.393 -0.821 . . . . 71.4 112.615 178.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.446 ' O ' ' HA ' ' A' ' 25' ' ' CYS . 4.3 t80 -71.4 128.04 34.55 Favored 'General case' 0 C--N 1.333 -0.151 0 N-CA-C 109.036 -0.727 . . . . 61.31 109.036 -179.406 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.2 p -115.39 118.34 32.95 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.924 0.393 . . . . 71.31 111.233 -174.335 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 18.2 m -135.9 128.87 47.1 Favored 'Isoleucine or valine' 0 C--O 1.233 0.225 0 CA-C-N 116.028 -0.533 . . . . 71.25 110.379 178.48 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 3.4 tmm_? -87.2 109.81 19.73 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 108.262 -1.014 . . . . 72.35 108.262 175.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 30.0 mmm180 . . . . . 0 C--N 1.325 -0.468 0 CA-C-N 115.969 -0.559 . . . . 75.21 111.688 -171.726 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.453 ' NZ ' ' HB3' ' A' ' 7' ' ' LYS . 6.3 ttpm? . . . . . 0 N--CA 1.456 -0.15 0 N-CA-C 110.534 -0.173 . . . . 74.44 110.534 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 81.9 Cg_endo -85.19 -169.7 0.66 Allowed 'Trans proline' 0 N--CA 1.456 -0.678 0 C-N-CA 122.577 2.184 . . . . 75.23 111.506 173.589 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.427 ' SG ' ' N ' ' A' ' 30' ' ' CYS . 32.7 m -113.61 -171.45 1.89 Allowed 'General case' 0 C--N 1.317 -0.808 0 N-CA-C 108.284 -1.006 . . . . 72.43 108.284 176.555 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.662 ' HB ' ' SG ' ' A' ' 15' ' ' CYS . 35.6 mt -52.98 138.45 12.14 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.394 0 N-CA-C 108.723 -0.843 . . . . 70.44 108.723 169.917 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 26.0 m -74.35 161.39 29.91 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 112.088 0.403 . . . . 60.5 112.088 -171.05 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -50.24 -50.03 51.15 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 115.63 -0.714 . . . . 53.42 110.664 -178.53 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.425 ' HE3' ' HB2' ' A' ' 13' ' ' LYS . 38.7 mtmt -62.84 -21.94 66.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 114.633 -1.167 . . . . 75.52 111.63 -176.096 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.591 ' HB2' HG22 ' A' ' 10' ' ' ILE . 29.6 mm-40 -98.59 -33.6 10.91 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.094 -0.503 . . . . 65.23 111.402 -173.493 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.662 ' SG ' ' HB ' ' A' ' 10' ' ' ILE . 61.7 m -80.24 -61.81 1.87 Allowed 'General case' 0 C--O 1.238 0.456 0 CA-C-O 120.87 0.367 . . . . 55.21 110.989 -179.153 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 13.5 t -81.25 81.49 7.41 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-O 121.627 0.727 . . . . 42.34 110.678 -171.548 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 48.7 mm -110.37 -42.76 5.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 N-CA-C 108.169 -1.049 . . . . 74.34 108.169 171.232 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 27.8 m -102.52 133.88 44.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 114.85 -1.068 . . . . 73.51 109.612 173.313 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -104.22 42.71 1.16 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.145 0.498 . . . . 61.2 109.933 -178.91 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -136.58 96.64 3.38 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.516 -0.765 . . . . 65.4 110.568 -178.626 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 87.9 t80 53.92 81.73 0.09 Allowed 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 115.641 -0.709 . . . . 61.22 110.865 175.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.6 tpp85 -156.03 165.73 35.58 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.113 -0.494 . . . . 74.15 110.439 -177.217 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.09 125.74 27.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.474 -0.33 . . . . 72.32 110.338 176.193 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 55.9 mtm180 -93.81 101.03 13.12 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 110.057 -0.349 . . . . 75.22 110.057 -178.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 61.0 m -89.72 125.03 35.12 Favored 'General case' 0 C--O 1.238 0.46 0 CA-C-N 116.222 -0.445 . . . . 73.43 110.361 179.624 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 61.4 mtp180 -127.54 134.13 49.76 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-N 115.994 -0.548 . . . . 73.12 110.277 178.218 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 67.2 mttm 60.73 32.59 20.24 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 115.835 -0.62 . . . . 75.12 110.866 175.691 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 83.49 -6.04 74.92 Favored Glycine 0 N--CA 1.45 -0.368 0 CA-C-N 115.576 -0.738 . . . . 71.4 113.324 178.658 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -108.01 156.9 18.72 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 117.38 0.59 . . . . 61.31 110.014 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.427 ' N ' ' SG ' ' A' ' 9' ' ' CYS . 9.2 p -106.34 128.16 53.8 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-O 121.178 0.513 . . . . 71.31 111.654 -173.25 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 60.8 t -117.08 138.92 46.17 Favored 'Isoleucine or valine' 0 C--O 1.237 0.446 0 CA-C-N 115.562 -0.745 . . . . 71.25 109.974 178.34 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 31.7 mmt180 -97.01 125.06 41.17 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 121.11 0.481 . . . . 72.35 110.822 -175.488 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 15.4 ttt180 . . . . . 0 C--N 1.325 -0.47 0 CA-C-N 115.263 -0.881 . . . . 75.21 110.902 178.15 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 61.7 tttm . . . . . 0 CA--C 1.531 0.232 0 CA-C-O 120.733 0.301 . . . . 74.44 110.276 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 67.9 Cg_endo -85.24 -164.83 0.25 Allowed 'Trans proline' 0 C--N 1.348 0.516 0 C-N-CA 123.033 2.489 . . . . 75.23 112.31 -178.189 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 56.0 m -119.43 -173.04 2.44 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.045 -0.525 . . . . 72.43 110.047 179.399 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 46.2 mm -85.6 154.44 3.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 N-CA-C 109.72 -0.474 . . . . 70.44 109.72 177.599 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 33.2 p -69.56 158.68 34.79 Favored 'General case' 0 C--O 1.24 0.591 0 CA-C-O 121.133 0.492 . . . . 60.5 111.986 -176.695 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.617 ' HA ' ' SG ' ' A' ' 15' ' ' CYS . 11.7 t70 -50.76 -32.06 18.6 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 115.166 -0.925 . . . . 53.42 111.025 178.876 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 58.8 tptt -52.88 -34.58 55.32 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 115.332 -0.849 . . . . 75.52 111.909 -178.77 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -108.39 -37.81 5.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.523 -0.308 . . . . 65.23 111.135 -177.461 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.617 ' SG ' ' HA ' ' A' ' 12' ' ' ASP . 21.1 p -80.26 19.66 0.74 Allowed 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 111.854 0.316 . . . . 55.21 111.854 -176.43 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 29.8 m -57.34 113.19 1.65 Allowed 'General case' 0 CA--C 1.533 0.316 0 N-CA-C 109.23 -0.655 . . . . 42.34 109.23 172.156 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 18.6 pt -67.9 83.99 0.12 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.325 0 CA-C-O 121.844 0.831 . . . . 74.34 113.05 -169.186 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 26.9 m -123.65 14.37 5.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.017 -0.992 . . . . 73.51 109.29 171.043 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.572 ' HG3' ' H ' ' A' ' 20' ' ' ASN . 40.4 tptt -110.09 -176.92 3.12 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 115.128 -0.942 . . . . 61.2 109.372 -176.156 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.572 ' H ' ' HG3' ' A' ' 19' ' ' LYS . 17.6 m120 -81.06 39.28 0.5 Allowed 'General case' 0 N--CA 1.47 0.553 0 CA-C-O 120.961 0.41 . . . . 65.4 111.195 178.39 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 6.6 t80 -151.13 179.59 8.15 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 108.954 -0.758 . . . . 61.22 108.954 179.772 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 20.4 ptt180 -156.15 103.26 2.18 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-O 121.302 0.572 . . . . 74.15 111.835 -175.361 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.444 ' HA ' ' O ' ' A' ' 31' ' ' VAL . . . -148.32 119.9 8.0 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 115.513 -0.767 . . . . 72.32 110.343 178.4 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 18.1 tpp85 -93.69 110.15 21.78 Favored 'General case' 0 C--N 1.332 -0.184 0 N-CA-C 109.287 -0.634 . . . . 75.22 109.287 177.815 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.619 ' HA ' ' HA ' ' A' ' 30' ' ' CYS . 50.9 m -84.58 133.59 34.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.295 -0.411 . . . . 73.43 111.673 -174.003 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.406 ' HG2' ' HG2' ' A' ' 27' ' ' LYS . 20.9 ttt180 -159.49 144.85 15.73 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.148 -0.686 . . . . 73.12 109.148 178.743 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.406 ' HG2' ' HG2' ' A' ' 26' ' ' ARG . 34.2 mmtp 58.84 32.77 22.55 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 116.215 -0.448 . . . . 75.12 110.639 -178.764 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 79.97 -11.96 32.64 Favored Glycine 0 CA--C 1.52 0.367 0 CA-C-N 115.847 -0.615 . . . . 71.4 112.934 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 31.2 m-85 -99.33 171.32 8.05 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 110.066 -0.346 . . . . 61.31 110.066 -179.734 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.619 ' HA ' ' HA ' ' A' ' 25' ' ' CYS . 27.0 p -128.36 118.23 22.82 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 110.04 -0.356 . . . . 71.31 110.04 175.813 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.444 ' O ' ' HA ' ' A' ' 23' ' ' ALA . 23.3 t -82.67 102.14 8.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 N-CA-C 109.098 -0.705 . . . . 71.25 109.098 178.163 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 15.7 ptp180 -94.65 116.12 28.37 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.07 -0.968 . . . . 72.35 110.43 -176.55 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 20.1 tpp180 . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 115.725 -0.67 . . . . 75.21 110.598 -176.109 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 21.5 pttm . . . . . 0 C--O 1.235 0.313 0 N-CA-C 109.888 -0.412 . . . . 74.44 109.888 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_exo -65.0 -155.01 0.03 OUTLIER 'Trans proline' 0 CA--C 1.535 0.553 0 C-N-CA 122.842 2.362 . . . . 75.23 112.012 176.167 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 59.3 m -113.75 -177.35 3.11 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.95 0.405 . . . . 72.43 110.399 -177.839 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.614 HD13 ' H ' ' A' ' 10' ' ' ILE . 0.2 OUTLIER -68.99 167.76 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.779 -0.646 . . . . 70.44 110.298 175.116 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 17.1 m -71.8 160.48 32.51 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.238 -0.437 . . . . 60.5 111.108 -177.256 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.646 ' HA ' ' SG ' ' A' ' 15' ' ' CYS . 21.9 p-10 -59.85 -39.43 85.16 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.945 -0.57 . . . . 53.42 111.422 -176.919 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.465 ' HD3' ' N ' ' A' ' 14' ' ' GLU . 0.0 OUTLIER -66.98 -15.85 63.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.118 -0.492 . . . . 75.52 111.201 177.046 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.465 ' N ' ' HD3' ' A' ' 13' ' ' LYS . 9.3 tp10 -96.58 -38.41 9.98 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.166 -0.47 . . . . 65.23 110.617 -174.614 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.646 ' SG ' ' HA ' ' A' ' 12' ' ' ASP . 4.8 p -73.15 -20.16 60.97 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 116.491 -0.322 . . . . 55.21 111.382 179.582 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 13.6 p -90.88 91.27 8.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.962 0.41 . . . . 42.34 109.969 176.266 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 57.8 mt -96.64 -75.87 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.142 -0.481 . . . . 74.34 111.008 -177.079 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.54 HG22 ' HE ' ' A' ' 22' ' ' ARG . 31.4 m -91.26 145.87 6.93 Favored 'Isoleucine or valine' 0 C--O 1.233 0.22 0 CA-C-N 116.344 -0.389 . . . . 73.51 110.924 -177.087 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 31.9 mtmm -81.81 94.15 6.99 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.714 -0.675 . . . . 61.2 110.722 -177.828 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -171.41 -77.69 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 114.984 -1.007 . . . . 65.4 108.88 177.752 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 79.6 m-85 -153.55 137.93 16.69 Favored 'General case' 0 CA--C 1.512 -0.484 0 N-CA-C 109.004 -0.739 . . . . 61.22 109.004 173.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.54 ' HE ' HG22 ' A' ' 18' ' ' VAL . 8.9 mmt180 -156.08 166.74 32.55 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 115.627 -0.715 . . . . 74.15 109.978 -173.583 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.72 132.18 48.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.307 -0.406 . . . . 72.32 110.401 -177.626 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 35.2 mmt180 -95.61 117.18 29.98 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.632 -0.507 . . . . 75.22 109.632 -178.055 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.51 ' HB2' ' HA ' ' A' ' 12' ' ' ASP . 61.1 m -103.74 143.71 32.43 Favored 'General case' 0 C--O 1.238 0.466 0 CA-C-O 121.113 0.482 . . . . 73.43 111.202 -174.655 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 28.6 ptt180 -151.83 127.97 10.47 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 115.23 -0.896 . . . . 73.12 109.773 -177.448 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 56.18 32.43 20.2 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 122.9 0.48 . . . . 75.12 111.278 -178.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 85.37 -11.09 61.94 Favored Glycine 0 CA--C 1.521 0.434 0 C-N-CA 121.277 -0.487 . . . . 71.4 113.315 179.247 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 51.0 m-85 -90.62 140.38 29.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 117.187 0.494 . . . . 61.31 109.672 178.663 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 28.6 p -106.58 131.53 53.63 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.997 0.427 . . . . 71.31 110.937 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 33.9 t -103.6 109.79 28.1 Favored 'Isoleucine or valine' 0 C--O 1.237 0.44 0 N-CA-C 109.21 -0.663 . . . . 71.25 109.21 174.702 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 13.7 ptp180 -133.3 119.05 19.25 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.574 -0.739 . . . . 72.35 110.121 -177.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 24.2 mtm180 . . . . . 0 C--O 1.233 0.215 0 N-CA-C 109.831 -0.433 . . . . 75.21 109.831 178.224 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 92.9 mttt . . . . . 0 C--O 1.237 0.433 0 N-CA-C 109.725 -0.472 . . . . 74.44 109.725 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.452 ' HB3' ' HA ' ' A' ' 29' ' ' TYR . 14.0 Cg_exo -70.37 -151.24 0.03 OUTLIER 'Trans proline' 0 CA--C 1.534 0.52 0 C-N-CA 123.237 2.625 . . . . 75.23 111.739 177.336 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.434 ' HB2' ' HB3' ' A' ' 30' ' ' CYS . 62.9 m -126.67 175.11 8.21 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 116.634 -0.257 . . . . 72.43 110.382 -178.002 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.43 HG22 ' N ' ' A' ' 11' ' ' SER . 23.8 mm -68.13 167.24 1.65 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.443 0 N-CA-C 109.319 -0.623 . . . . 70.44 109.319 177.343 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.43 ' N ' HG22 ' A' ' 10' ' ' ILE . 20.2 m -55.19 160.43 2.16 Favored 'General case' 0 C--O 1.243 0.712 0 CA-C-O 121.714 0.769 . . . . 60.5 112.733 -176.114 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -56.16 -33.24 65.04 Favored 'General case' 0 N--CA 1.461 0.117 0 CA-C-N 115.046 -0.979 . . . . 53.42 111.621 -176.927 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -55.95 -36.83 68.23 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 121.187 0.518 . . . . 75.52 110.459 177.152 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -80.91 -43.74 19.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.583 -0.735 . . . . 65.23 109.683 -179.761 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 70.7 m -69.41 -15.05 63.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.688 -0.687 . . . . 55.21 111.633 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 45.1 t -67.74 85.46 0.21 Allowed 'General case' 0 C--O 1.236 0.379 0 CA-C-O 121.113 0.483 . . . . 42.34 109.927 178.306 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 31.0 pt -118.53 -168.81 0.47 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.548 0 CA-C-N 115.478 -0.783 . . . . 74.34 110.967 -178.244 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 30.3 m -60.38 153.2 4.82 Favored 'Isoleucine or valine' 0 C--O 1.235 0.317 0 CA-C-N 116.027 -0.533 . . . . 73.51 110.88 177.661 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 35.4 mttm -76.77 -5.66 49.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.265 0.555 . . . . 61.2 110.464 -176.311 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -67.51 -26.12 66.19 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.099 -0.955 . . . . 65.4 110.202 -179.23 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 59.8 m-85 -114.06 145.8 41.09 Favored 'General case' 0 C--O 1.236 0.343 0 N-CA-C 109.043 -0.725 . . . . 61.22 109.043 170.884 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.592 ' HA ' ' NE ' ' A' ' 22' ' ' ARG . 4.9 mmp_? -114.35 108.22 16.61 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.745 0.783 . . . . 74.15 111.901 -177.327 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -153.98 112.27 3.59 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 114.297 -1.319 . . . . 72.32 108.781 177.143 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 58.6 ttt180 -108.56 100.98 10.17 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.924 0.392 . . . . 75.22 110.224 -175.389 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.559 ' HA ' ' HA ' ' A' ' 30' ' ' CYS . 74.2 m -94.41 145.85 24.48 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.829 -0.623 . . . . 73.43 110.481 179.15 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.747 ' HG3' ' HG3' ' A' ' 27' ' ' LYS . 21.5 tpp180 -170.98 144.62 2.18 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.186 -0.672 . . . . 73.12 109.186 177.378 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.747 ' HG3' ' HG3' ' A' ' 26' ' ' ARG . 26.4 mtpp 58.54 32.35 22.04 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 115.912 -0.585 . . . . 75.12 111.268 175.79 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 86.44 -14.17 55.71 Favored Glycine 0 CA--C 1.522 0.477 0 CA-C-N 115.973 -0.558 . . . . 71.4 113.554 178.37 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.452 ' HA ' ' HB3' ' A' ' 8' ' ' PRO . 74.3 m-85 -103.75 168.87 8.86 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 117.247 0.523 . . . . 61.31 110.217 -178.861 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.559 ' HA ' ' HA ' ' A' ' 25' ' ' CYS . 26.5 p -146.01 121.99 10.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.716 0.293 . . . . 71.31 111.733 -177.203 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 45.2 t -90.2 106.83 17.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 N-CA-C 108.951 -0.759 . . . . 71.25 108.951 171.866 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 10.1 ptt180 -111.82 116.22 30.32 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.801 -0.636 . . . . 72.35 110.656 -174.545 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.523 ' HE ' ' HA ' ' A' ' 33' ' ' ARG . 2.1 tpm_? . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.035 -0.53 . . . . 75.21 109.95 179.317 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 16.3 ptpt . . . . . 0 C--O 1.235 0.298 0 N-CA-C 110.085 -0.339 . . . . 74.44 110.085 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 64.3 Cg_endo -71.44 -177.6 2.51 Favored 'Trans proline' 0 C--N 1.349 0.562 0 C-N-CA 122.705 2.27 . . . . 75.23 112.793 -176.64 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.557 ' SG ' ' N ' ' A' ' 30' ' ' CYS . 35.1 m -113.86 164.9 13.15 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.548 -0.751 . . . . 72.43 110.204 -178.063 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.458 ' O ' ' SG ' ' A' ' 15' ' ' CYS . 9.6 tp -89.1 168.0 1.6 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.638 0 CA-C-N 116.111 -0.495 . . . . 70.44 110.762 -175.637 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.419 ' N ' HG13 ' A' ' 10' ' ' ILE . 15.8 m -58.11 158.65 6.65 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-O 121.411 0.624 . . . . 60.5 112.511 -178.395 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -56.4 -42.42 77.93 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 115.473 -0.785 . . . . 53.42 112.188 -173.163 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.677 ' HE3' ' HA ' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -61.8 -23.05 65.97 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 120.729 0.3 . . . . 75.52 110.894 -179.347 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 34.2 mm-40 -95.93 -23.55 16.81 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.15 -0.477 . . . . 65.23 110.401 178.34 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.458 ' SG ' ' O ' ' A' ' 10' ' ' ILE . 70.8 m -75.82 -5.38 45.63 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.006 -0.543 . . . . 55.21 110.709 175.408 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 20.2 m -71.77 81.81 0.88 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.032 0.444 . . . . 42.34 110.408 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.505 HG13 ' HG2' ' A' ' 19' ' ' LYS . 8.0 tp -120.37 121.96 66.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.49 . . . . 74.34 109.969 178.355 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 58.3 t -84.5 107.55 15.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.098 -0.501 . . . . 73.51 110.439 -178.278 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.505 ' HG2' HG13 ' A' ' 17' ' ' ILE . 34.6 mmtp -138.5 -171.76 3.13 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-N 115.999 -0.546 . . . . 61.2 109.92 179.456 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -69.15 -12.99 62.16 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-O 121.45 0.643 . . . . 65.4 110.091 177.121 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 93.3 m-85 -125.26 173.88 8.49 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 115.17 -0.923 . . . . 61.22 108.996 172.692 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 11.6 ptt85 -145.61 151.26 37.8 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 110.199 -0.297 . . . . 74.15 110.199 173.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.678 ' HB2' ' HG2' ' A' ' 32' ' ' ARG . . . -118.51 159.3 23.77 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 115.974 -0.557 . . . . 72.32 111.923 -172.748 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 29.8 mmt180 -126.89 126.85 43.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.375 -0.83 . . . . 75.22 108.785 172.603 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.683 ' SG ' ' HB3' ' A' ' 30' ' ' CYS . 64.1 m -115.28 133.85 55.66 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.767 0.318 . . . . 73.43 111.365 -174.386 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 16.2 ptp180 -157.05 141.89 16.92 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 115.742 -0.663 . . . . 73.12 109.941 176.919 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 46.1 mtmt 51.93 33.11 11.01 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 123.215 0.606 . . . . 75.12 111.678 -179.322 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 75.25 20.14 79.19 Favored Glycine 0 CA--C 1.522 0.517 0 C-N-CA 121.102 -0.57 . . . . 71.4 113.183 178.483 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.446 ' O ' ' HA ' ' A' ' 25' ' ' CYS . 68.9 m-85 -122.74 128.38 50.43 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.901 -0.407 . . . . 61.31 109.901 174.678 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.683 ' HB3' ' SG ' ' A' ' 25' ' ' CYS . 15.0 p -113.21 118.07 33.65 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 110.153 -0.314 . . . . 71.31 110.153 177.749 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 60.1 t -109.65 127.91 66.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.262 -0.426 . . . . 71.25 110.549 -179.47 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.678 ' HG2' ' HB2' ' A' ' 23' ' ' ALA . 78.3 mtt85 -105.24 109.78 21.89 Favored 'General case' 0 C--O 1.236 0.368 0 N-CA-C 109.476 -0.564 . . . . 72.35 109.476 175.891 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.326 -0.417 0 N-CA-C 109.664 -0.495 . . . . 75.21 109.664 -178.555 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 48.4 mtmt . . . . . 0 C--O 1.235 0.306 0 N-CA-C 110.481 -0.192 . . . . 74.44 110.481 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -61.23 174.09 2.15 Favored 'Trans proline' 0 C--N 1.349 0.571 0 C-N-CA 122.968 2.445 . . . . 75.23 112.338 177.473 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.3 p -123.52 -179.72 4.45 Favored 'General case' 0 C--O 1.237 0.429 0 CA-C-N 116.162 -0.472 . . . . 72.43 111.036 -179.163 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.402 HG22 ' N ' ' A' ' 11' ' ' SER . 14.3 mm -81.75 162.5 3.43 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.418 0 CA-C-N 116.04 -0.527 . . . . 70.44 110.893 -173.743 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.402 ' N ' HG22 ' A' ' 10' ' ' ILE . 38.4 p -66.95 164.54 17.38 Favored 'General case' 0 C--O 1.242 0.709 0 N-CA-C 113.189 0.811 . . . . 60.5 113.189 -173.834 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.898 ' HA ' ' SG ' ' A' ' 15' ' ' CYS . 10.9 p-10 -59.75 -34.19 72.64 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 114.895 -1.048 . . . . 53.42 110.979 -179.669 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 38.4 ttmt -59.21 -21.83 60.1 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 115.825 -0.625 . . . . 75.52 111.066 179.21 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -102.89 -46.78 4.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 65.23 110.515 -176.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.898 ' SG ' ' HA ' ' A' ' 12' ' ' ASP . 6.7 p -70.36 -29.84 66.62 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 116.499 -0.319 . . . . 55.21 111.6 -177.676 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.801 ' HA ' ' HD3' ' A' ' 19' ' ' LYS . 71.1 m -131.72 117.16 18.24 Favored 'General case' 0 CA--C 1.53 0.186 0 CA-C-O 120.756 0.312 . . . . 42.34 111.2 179.558 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 8.9 tt -156.91 116.88 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.264 -0.425 . . . . 74.34 110.199 175.256 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 10.1 m 40.58 29.34 0.11 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.438 0 C-N-CA 124.369 1.068 . . . . 73.51 113.57 177.834 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.801 ' HD3' ' HA ' ' A' ' 16' ' ' SER . 20.1 ptmt -108.46 163.11 13.5 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.631 -0.713 . . . . 61.2 109.931 -179.087 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -80.97 -28.2 35.72 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 120.79 0.329 . . . . 65.4 110.497 -178.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.605 ' HB2' ' HE2' ' A' ' 19' ' ' LYS . 61.6 m-85 -75.85 154.28 36.23 Favored 'General case' 0 C--O 1.233 0.216 0 N-CA-C 109.392 -0.596 . . . . 61.22 109.392 176.728 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 91.1 mtt180 -135.64 116.66 14.29 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.873 0.368 . . . . 74.15 111.643 -169.574 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -137.76 128.8 27.41 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.696 -0.683 . . . . 72.32 110.042 176.638 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 27.5 ttm180 -101.26 100.94 11.52 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.218 0.532 . . . . 75.22 109.832 176.319 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.706 ' SG ' ' SG ' ' A' ' 30' ' ' CYS . 59.4 m -93.82 121.07 34.9 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.474 -0.785 . . . . 73.43 109.73 179.376 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.63 ' HG3' ' HG3' ' A' ' 27' ' ' LYS . 26.2 tpt180 -158.13 144.65 17.54 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.508 -0.314 . . . . 73.12 110.688 -174.582 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.63 ' HG3' ' HG3' ' A' ' 26' ' ' ARG . 95.0 mttt 60.38 32.62 20.69 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 116.092 -0.504 . . . . 75.12 110.937 175.657 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 84.82 -12.99 55.66 Favored Glycine 0 N--CA 1.453 -0.227 0 CA-C-N 115.861 -0.609 . . . . 71.4 112.736 178.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 64.8 m-85 -102.07 172.28 7.0 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.857 -0.423 . . . . 61.31 109.857 -178.036 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.706 ' SG ' ' SG ' ' A' ' 25' ' ' CYS . 74.8 m -144.43 117.92 9.12 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.366 -0.379 . . . . 71.31 110.361 177.475 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 4.9 p -109.21 114.96 48.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 121.313 0.578 . . . . 71.25 110.229 176.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 38.2 ptt180 -114.87 118.34 33.24 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.852 -0.613 . . . . 72.35 109.836 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 10.8 tpt85 . . . . . 0 C--N 1.325 -0.48 0 CA-C-N 115.998 -0.547 . . . . 75.21 110.25 -173.404 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 65.7 pttt . . . . . 0 C--O 1.236 0.374 0 CA-C-O 120.46 0.172 . . . . 74.44 111.1 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_exo -68.04 171.04 13.11 Favored 'Trans proline' 0 C--O 1.238 0.488 0 C-N-CA 122.743 2.295 . . . . 75.23 111.17 171.847 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 58.1 m -113.76 -178.59 3.41 Favored 'General case' 0 C--O 1.239 0.521 0 CA-C-O 120.925 0.393 . . . . 72.43 111.024 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.535 HG22 ' H ' ' A' ' 11' ' ' SER . 40.0 mt -71.07 174.76 0.69 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.446 0 N-CA-C 108.562 -0.903 . . . . 70.44 108.562 174.097 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.535 ' H ' HG22 ' A' ' 10' ' ' ILE . 5.8 m -55.38 155.7 5.0 Favored 'General case' 0 C--O 1.24 0.604 0 CA-C-O 121.114 0.483 . . . . 60.5 111.551 -178.55 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -58.36 -31.36 67.55 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 115.738 -0.664 . . . . 53.42 110.838 -175.837 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 52.4 mtpt -62.33 -27.95 69.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.39 -0.823 . . . . 75.52 110.752 179.741 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 34.9 mm-40 -102.0 -20.99 14.58 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.991 -0.55 . . . . 65.23 110.843 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.463 ' SG ' ' O ' ' A' ' 10' ' ' ILE . 98.0 m -60.13 -11.74 6.82 Favored 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 112.458 0.54 . . . . 55.21 112.458 -179.279 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 24.4 p -69.16 81.56 0.34 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.291 0.567 . . . . 42.34 109.807 176.205 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 68.2 mt -98.67 -55.28 6.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.525 -0.761 . . . . 74.34 110.005 179.795 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.709 HG12 ' H ' ' A' ' 20' ' ' ASN . 46.8 t -61.33 136.46 24.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 115.617 -0.719 . . . . 73.51 110.534 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 16.1 tppt? -69.59 -3.27 14.22 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-O 121.249 0.547 . . . . 61.2 111.493 -176.547 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.709 ' H ' HG12 ' A' ' 18' ' ' VAL . 19.8 m120 -97.78 3.11 50.07 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.749 -0.659 . . . . 65.4 109.946 177.296 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 88.4 m-85 53.91 17.77 1.43 Allowed 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 123.678 0.791 . . . . 61.22 112.557 178.321 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 6.9 tpp180 -93.59 85.01 4.76 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-O 121.428 0.632 . . . . 74.15 110.483 -176.756 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -164.23 153.21 13.47 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 114.918 -1.037 . . . . 72.32 109.328 176.198 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.407 HH11 ' HD3' ' A' ' 24' ' ' ARG . 45.5 ttp180 -147.56 132.72 18.34 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.855 0.36 . . . . 75.22 111.172 174.391 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.468 ' HA ' ' O ' ' A' ' 29' ' ' TYR . 81.1 m -118.09 135.14 54.38 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.772 -0.649 . . . . 73.43 110.362 174.565 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 19.3 tpt180 -149.71 136.28 19.24 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.018 -0.734 . . . . 73.12 109.018 179.03 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 60.4 mttp 51.62 32.4 9.1 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 121.419 0.628 . . . . 75.12 109.869 -175.129 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 84.88 -27.42 4.9 Favored Glycine 0 N--CA 1.451 -0.341 0 CA-C-N 115.272 -0.876 . . . . 71.4 113.053 -178.467 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.468 ' O ' ' HA ' ' A' ' 25' ' ' CYS . 8.2 t80 -69.01 146.87 52.35 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 117.088 0.444 . . . . 61.31 110.621 -176.187 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 3.0 m -122.92 137.31 54.98 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.21 -0.45 . . . . 71.31 110.802 -171.814 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 8.1 p -129.19 129.57 67.63 Favored 'Isoleucine or valine' 0 C--O 1.24 0.6 0 N-CA-C 109.98 -0.378 . . . . 71.25 109.98 174.048 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 5.6 ptp180 -129.88 132.75 46.52 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 115.849 -0.614 . . . . 72.35 110.467 -178.055 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 5.3 mmp_? . . . . . 0 C--O 1.236 0.342 0 N-CA-C 109.859 -0.423 . . . . 75.21 109.859 178.129 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.449 ' HA ' ' HD3' ' A' ' 8' ' ' PRO . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.183 0 N-CA-C 109.807 -0.442 . . . . 74.44 109.807 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.449 ' HD3' ' HA ' ' A' ' 7' ' ' LYS . 21.2 Cg_exo -66.15 166.11 22.11 Favored 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 122.599 2.199 . . . . 75.23 112.048 178.657 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 2.3 p -143.98 -177.21 5.32 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.079 -0.509 . . . . 72.43 110.654 -177.394 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.459 ' CG2' ' HB2' ' A' ' 14' ' ' GLU . 16.9 mt -75.59 160.86 4.96 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.435 0 CA-C-N 116.163 -0.471 . . . . 70.44 110.933 -174.913 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 16.0 p -89.73 177.6 6.48 Favored 'General case' 0 C--O 1.246 0.9 0 N-CA-C 113.143 0.794 . . . . 60.5 113.143 -173.186 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -49.86 -43.31 49.0 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 115.251 -0.886 . . . . 53.42 110.763 -176.839 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.5 tppp? -49.88 -33.31 16.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 114.991 -1.004 . . . . 75.52 111.934 -175.632 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.459 ' HB2' ' CG2' ' A' ' 10' ' ' ILE . 42.0 mt-10 -116.74 -8.95 11.35 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 116.541 -0.299 . . . . 65.23 111.441 -174.217 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 71.5 m -80.96 -11.78 59.51 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 116.51 -0.314 . . . . 55.21 110.774 170.426 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 35.9 m -68.56 85.57 0.3 Allowed 'General case' 0 CA--C 1.535 0.402 0 CA-C-O 120.953 0.406 . . . . 42.34 110.465 178.213 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.681 HG22 ' H ' ' A' ' 19' ' ' LYS . 50.0 mm -121.25 147.85 24.92 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.32 0 CA-C-N 115.831 -0.622 . . . . 74.34 109.953 -179.476 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 60.3 t -58.72 -30.51 42.28 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.335 0 CA-C-O 120.962 0.41 . . . . 73.51 111.326 -179.224 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.681 ' H ' HG22 ' A' ' 17' ' ' ILE . 54.7 mtmt -78.54 -3.72 45.08 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 116.181 -0.463 . . . . 61.2 111.435 -179.04 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 85.0 m-20 -110.0 82.56 1.61 Allowed 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 109.312 -0.625 . . . . 65.4 109.312 178.893 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 74.0 m-85 -57.18 -31.59 65.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.515 -0.766 . . . . 61.22 111.225 -178.15 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 3.9 tmm_? -156.03 106.56 2.43 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.564 -0.532 . . . . 74.15 109.564 177.087 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -154.21 148.28 25.74 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.0 -0.545 . . . . 72.32 110.365 179.184 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 72.1 mtt85 -144.21 123.77 13.23 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 122.838 0.455 . . . . 75.22 109.829 178.545 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.466 ' SG ' ' SG ' ' A' ' 30' ' ' CYS . 31.9 m -119.37 120.45 36.93 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.469 -0.567 . . . . 73.43 109.469 -179.213 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 15.5 ttm180 -147.84 138.6 23.22 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 121.109 -0.236 . . . . 73.12 111.1 -169.638 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 68.4 mttm 54.97 33.19 19.63 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 115.872 -0.604 . . . . 75.12 111.651 177.534 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 93.02 -15.45 62.83 Favored Glycine 0 CA--C 1.516 0.118 0 CA-C-N 115.87 -0.605 . . . . 71.4 113.096 176.36 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 71.3 m-85 -93.74 150.87 20.04 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 110.092 -0.336 . . . . 61.31 110.092 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.466 ' SG ' ' SG ' ' A' ' 25' ' ' CYS . 84.5 m -124.95 123.3 39.59 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-O 120.904 0.383 . . . . 71.31 110.843 176.846 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 48.9 t -110.24 117.54 54.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.721 -0.672 . . . . 71.25 109.779 177.092 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 30.2 ttm180 -136.94 145.5 44.31 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.06 -0.718 . . . . 72.35 109.06 179.145 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.423 HH11 ' HD2' ' A' ' 33' ' ' ARG . 16.7 tpt180 . . . . . 0 C--N 1.328 -0.33 0 CA-C-O 120.942 0.401 . . . . 75.21 110.023 179.469 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 20.1 ptmt . . . . . 0 CA--C 1.533 0.314 0 CA-C-O 120.745 0.307 . . . . 74.44 110.568 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 69.8 Cg_endo -85.85 -175.25 1.8 Allowed 'Trans proline' 0 C--O 1.236 0.423 0 C-N-CA 122.932 2.421 . . . . 75.23 112.018 178.36 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.447 ' O ' ' HA2' ' A' ' 28' ' ' GLY . 0.8 OUTLIER -144.66 -175.24 4.58 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.233 -0.44 . . . . 72.43 110.949 -178.173 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.0 pp -86.48 179.74 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 N-CA-C 112.631 0.604 . . . . 70.44 112.631 -174.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 54.9 p -94.91 178.35 5.6 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-N 115.5 -0.773 . . . . 60.5 111.256 -177.616 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.561 ' HA ' ' HB3' ' A' ' 15' ' ' CYS . 27.8 m-20 -50.83 -29.67 12.33 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 115.727 -0.67 . . . . 53.42 111.428 178.517 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 32.9 mmtp -65.05 -7.81 13.61 Favored 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 112.431 0.53 . . . . 75.52 112.431 -175.196 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -130.59 -28.8 2.01 Favored 'General case' 0 N--CA 1.47 0.539 0 N-CA-C 109.279 -0.637 . . . . 65.23 109.279 172.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.69 ' SG ' ' HB1' ' A' ' 23' ' ' ALA . 44.4 t -66.4 -51.72 54.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.321 -0.854 . . . . 55.21 110.514 177.249 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 18.9 t -96.42 83.52 3.55 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-O 121.502 0.668 . . . . 42.34 109.999 -179.366 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.421 HG23 HG13 ' A' ' 18' ' ' VAL . 7.3 tp -131.65 -34.02 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.216 -0.902 . . . . 74.34 109.534 175.338 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.421 HG13 HG23 ' A' ' 17' ' ' ILE . 27.1 m -91.88 140.94 15.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.814 -0.63 . . . . 73.51 110.451 177.835 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 16.9 ptpt -97.93 11.78 36.29 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.881 -0.599 . . . . 61.2 110.184 176.591 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -72.18 -37.4 69.31 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 115.684 -0.689 . . . . 65.4 110.651 179.654 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 43.0 p90 -146.91 176.97 9.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.986 -0.552 . . . . 61.22 110.482 -179.003 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.641 ' HG3' ' HB2' ' A' ' 33' ' ' ARG . 13.4 ptt180 -109.24 102.2 11.16 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.859 -0.61 . . . . 74.15 110.621 -177.006 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.69 ' HB1' ' SG ' ' A' ' 15' ' ' CYS . . . -107.05 123.03 47.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.784 -0.644 . . . . 72.32 110.475 -179.71 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.97 103.17 11.62 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.228 -0.656 . . . . 75.22 109.228 177.291 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.448 ' HA ' ' HA ' ' A' ' 30' ' ' CYS . 59.4 m -121.2 118.43 29.62 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.874 -0.417 . . . . 73.43 109.874 -178.832 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 19.1 tpt180 -143.07 141.53 31.29 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.757 -0.201 . . . . 73.12 110.842 -174.417 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 33.0 mtmm 54.35 33.01 17.53 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 123.337 0.655 . . . . 75.12 112.136 178.408 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.447 ' HA2' ' O ' ' A' ' 9' ' ' CYS . . . 76.34 14.71 82.09 Favored Glycine 0 CA--C 1.517 0.199 0 CA-C-N 116.176 -0.465 . . . . 71.4 113.271 177.166 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 42.0 t80 -124.38 128.05 48.49 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.496 -0.927 . . . . 61.31 108.496 175.381 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.448 ' HA ' ' HA ' ' A' ' 25' ' ' CYS . 4.8 p -120.56 133.44 55.39 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.569 0.581 . . . . 71.31 112.569 -169.879 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 10.1 m -133.3 119.1 34.1 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.249 0 CA-C-N 115.677 -0.692 . . . . 71.25 109.983 172.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 20.1 ptt180 -101.05 118.65 37.41 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 116.253 -0.431 . . . . 72.35 110.181 179.168 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.641 ' HB2' ' HG3' ' A' ' 22' ' ' ARG . 9.1 mmm180 . . . . . 0 C--O 1.235 0.299 0 N-CA-C 109.395 -0.594 . . . . 75.21 109.395 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 48.7 mtmt . . . . . 0 C--O 1.233 0.188 0 CA-C-O 120.619 0.247 . . . . 74.44 111.396 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.44 ' HB2' ' O ' ' A' ' 28' ' ' GLY . 85.5 Cg_endo -80.22 -158.9 0.1 OUTLIER 'Trans proline' 0 C--N 1.35 0.654 0 C-N-CA 122.781 2.321 . . . . 75.23 110.95 171.697 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.404 ' HB3' HD13 ' A' ' 10' ' ' ILE . 56.3 m -136.31 -173.72 3.48 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-O 120.627 0.251 . . . . 72.43 110.425 179.633 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.594 HG12 ' SG ' ' A' ' 15' ' ' CYS . 0.2 OUTLIER -55.38 156.11 1.07 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.409 0 CA-C-N 115.932 -0.576 . . . . 70.44 111.22 176.884 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 61.7 p -71.71 174.33 6.95 Favored 'General case' 0 C--O 1.241 0.619 0 N-CA-C 112.562 0.578 . . . . 60.5 112.562 -171.564 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -50.61 -50.04 55.13 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 115.149 -0.932 . . . . 53.42 111.134 -177.78 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 24.2 tptm -61.32 -24.45 66.45 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.475 -0.784 . . . . 75.52 111.398 -177.625 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -94.12 -29.3 15.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.314 -0.403 . . . . 65.23 110.954 -174.623 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.594 ' SG ' HG12 ' A' ' 10' ' ' ILE . 77.9 m -82.18 79.69 8.6 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-O 120.97 0.414 . . . . 55.21 110.576 177.308 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.4 ' O ' ' HB2' ' A' ' 20' ' ' ASN . 40.0 t -95.39 165.3 12.43 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.874 -0.603 . . . . 42.34 110.634 177.642 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 39.8 pt -78.06 1.36 2.35 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.295 0 CA-C-N 116.097 -0.502 . . . . 74.34 111.681 -176.524 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 57.4 t -48.06 -34.22 4.44 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.52 0 CA-C-O 121.002 0.43 . . . . 73.51 111.533 -179.47 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -148.75 6.84 0.73 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.986 -0.552 . . . . 61.2 110.374 175.56 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.49 ' HB3' ' HB3' ' A' ' 23' ' ' ALA . 91.1 m-20 -121.42 74.9 1.14 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.012 -0.54 . . . . 65.4 110.284 -176.645 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 69.1 t80 -74.33 -41.73 60.62 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.26 -0.644 . . . . 61.22 109.26 177.907 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 65.6 mtt180 -106.79 85.24 2.12 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-N 115.638 -0.71 . . . . 74.15 109.632 175.765 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.49 ' HB3' ' HB3' ' A' ' 20' ' ' ASN . . . -164.14 131.35 3.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.641 -0.709 . . . . 72.32 110.148 179.467 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 40.2 ttt85 -123.66 100.99 7.06 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 110.01 -0.367 . . . . 75.22 110.01 176.563 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.449 ' HA ' ' O ' ' A' ' 29' ' ' TYR . 60.7 m -106.4 116.25 31.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.796 -0.638 . . . . 73.43 109.384 175.199 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 58.2 mtp85 -137.61 130.89 30.79 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.425 -0.583 . . . . 73.12 109.425 174.527 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm 57.9 33.04 22.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.828 -0.624 . . . . 75.12 110.059 -177.684 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.44 ' O ' ' HB2' ' A' ' 8' ' ' PRO . . . 82.89 -15.88 29.85 Favored Glycine 0 C--N 1.331 0.271 0 CA-C-N 115.618 -0.719 . . . . 71.4 113.041 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.449 ' O ' ' HA ' ' A' ' 25' ' ' CYS . 81.3 m-85 -81.32 128.03 33.38 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 117.051 0.426 . . . . 61.31 109.875 -178.763 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 8.7 p -120.13 128.86 53.83 Favored 'General case' 0 C--O 1.238 0.487 0 CA-C-N 115.976 -0.556 . . . . 71.31 111.768 -170.798 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 57.6 t -129.66 121.93 53.87 Favored 'Isoleucine or valine' 0 C--O 1.235 0.315 0 CA-C-N 115.812 -0.631 . . . . 71.25 109.824 174.685 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.408 HH11 ' HD3' ' A' ' 32' ' ' ARG . 9.7 mmm180 -91.91 109.71 21.05 Favored 'General case' 0 C--O 1.233 0.187 0 N-CA-C 109.284 -0.636 . . . . 72.35 109.284 177.366 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.443 ' CZ ' ' HA ' ' A' ' 33' ' ' ARG . 2.5 tpm_? . . . . . 0 C--N 1.326 -0.449 0 CA-C-O 120.949 0.404 . . . . 75.21 110.769 -175.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 13.2 mptt . . . . . 0 C--O 1.236 0.392 0 N-CA-C 110.482 -0.192 . . . . 74.44 110.482 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_exo -49.87 167.3 0.21 Allowed 'Trans proline' 0 C--N 1.352 0.737 0 C-N-CA 123.148 2.565 . . . . 75.23 113.712 179.683 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.84 ' SG ' HD13 ' A' ' 10' ' ' ILE . 52.7 t -144.18 -179.95 6.83 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.404 -0.816 . . . . 72.43 109.593 -173.441 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.84 HD13 ' SG ' ' A' ' 9' ' ' CYS . 0.2 OUTLIER -76.76 172.84 1.05 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.292 0 CA-C-O 120.841 0.353 . . . . 70.44 111.265 -176.261 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 20.0 m -91.6 168.48 11.47 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 116.225 -0.443 . . . . 60.5 111.173 -176.894 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.435 ' N ' ' HB2' ' A' ' 25' ' ' CYS . 25.0 t70 -53.23 -50.57 64.48 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 112.747 0.647 . . . . 53.42 112.747 -169.778 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.477 ' NZ ' ' HB3' ' A' ' 13' ' ' LYS . 4.5 mmmp? -55.63 -31.06 61.99 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 116.336 -0.393 . . . . 75.52 110.608 179.4 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -85.69 -32.53 21.89 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.029 -0.532 . . . . 65.23 109.989 -175.738 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.599 ' SG ' HG12 ' A' ' 10' ' ' ILE . 57.4 m -68.71 -27.2 65.73 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 115.99 -0.55 . . . . 55.21 110.537 177.358 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 18.0 m -80.74 96.13 6.84 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.785 -0.643 . . . . 42.34 110.202 179.176 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.649 HG12 HG22 ' A' ' 18' ' ' VAL . 10.2 tt -148.93 123.5 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.362 -0.381 . . . . 74.34 110.592 179.819 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.649 HG22 HG12 ' A' ' 17' ' ' ILE . 24.2 m 37.21 -65.17 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.542 0.65 0 N-CA-C 115.767 1.766 . . . . 73.51 115.767 -177.508 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.551 ' N ' ' O ' ' A' ' 17' ' ' ILE . 0.9 OUTLIER -84.62 89.39 7.46 Favored 'General case' 0 C--N 1.315 -0.919 0 N-CA-C 109.175 -0.676 . . . . 61.2 109.175 176.195 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 56.1 t30 -82.81 75.57 9.7 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-O 121.515 0.674 . . . . 65.4 110.155 -175.411 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 57.5 t80 -64.89 163.2 14.82 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.199 -0.91 . . . . 61.22 109.912 174.503 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 43.7 ttm180 -81.3 88.91 6.05 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.986 -0.552 . . . . 74.15 109.965 -178.127 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -139.97 175.73 9.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.133 0.492 . . . . 72.32 111.524 -175.715 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 49.8 ttm-85 -151.05 139.45 20.41 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.629 -0.878 . . . . 75.22 108.629 171.615 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.463 ' HA ' ' O ' ' A' ' 29' ' ' TYR . 21.5 m -130.07 134.79 47.61 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.726 0.298 . . . . 73.43 110.466 179.7 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.578 ' HG2' ' HG3' ' A' ' 27' ' ' LYS . 68.7 ttt180 -160.39 143.89 13.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.349 -0.387 . . . . 73.12 109.979 -179.394 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.578 ' HG3' ' HG2' ' A' ' 26' ' ' ARG . 48.2 mtmt 57.33 32.47 21.81 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-O 121.148 0.499 . . . . 75.12 111.013 179.351 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 72.58 20.33 79.48 Favored Glycine 0 N--CA 1.451 -0.338 0 CA-C-N 115.819 -0.628 . . . . 71.4 113.241 -179.672 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.463 ' O ' ' HA ' ' A' ' 25' ' ' CYS . 93.4 m-85 -115.33 127.88 55.72 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.749 -0.463 . . . . 61.31 109.749 175.538 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 89.6 m -106.73 118.1 35.8 Favored 'General case' 0 C--O 1.235 0.306 0 N-CA-C 109.723 -0.473 . . . . 71.31 109.723 175.412 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 9.1 p -121.95 136.71 57.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 121.093 0.473 . . . . 71.25 110.996 -179.482 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 94.4 mtt180 -83.87 113.65 21.09 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.861 -0.609 . . . . 72.35 109.43 176.012 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 85.1 mtm180 . . . . . 0 C--N 1.327 -0.378 0 CA-C-O 121.619 0.724 . . . . 75.21 110.421 -179.61 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.526 ' HD2' ' N ' ' A' ' 7' ' ' LYS . 0.1 OUTLIER . . . . . 0 C--O 1.235 0.306 0 N-CA-C 110.419 -0.215 . . . . 74.44 110.419 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_endo -64.06 176.4 2.53 Favored 'Trans proline' 0 C--N 1.352 0.746 0 C-N-CA 122.728 2.285 . . . . 75.23 112.402 178.082 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 28.1 m -123.09 -171.67 2.34 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.735 -0.666 . . . . 72.43 110.683 -173.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.452 HG13 ' SG ' ' A' ' 15' ' ' CYS . 24.6 pt -69.76 157.97 6.31 Favored 'Isoleucine or valine' 0 C--O 1.233 0.235 0 CA-C-N 115.918 -0.583 . . . . 70.44 110.472 173.941 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 9.2 p -92.61 173.56 7.72 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-O 121.005 0.431 . . . . 60.5 111.742 -176.276 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.518 ' O ' ' HB2' ' A' ' 16' ' ' SER . 11.2 t70 -50.73 -30.65 14.43 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 115.34 -0.845 . . . . 53.42 111.149 -178.739 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 23.1 tptm -48.79 -37.59 19.57 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 115.868 -0.605 . . . . 75.52 111.156 177.795 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 30.9 mm-40 -104.59 -46.91 4.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 65.23 111.003 -179.233 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.452 ' SG ' HG13 ' A' ' 10' ' ' ILE . 4.6 p -97.81 86.35 3.75 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.374 0.607 . . . . 55.21 109.959 -178.343 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.518 ' HB2' ' O ' ' A' ' 12' ' ' ASP . 31.1 t -131.85 -174.89 3.55 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.403 -0.817 . . . . 42.34 110.867 -178.866 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.523 ' O ' HG12 ' A' ' 18' ' ' VAL . 13.3 tt -64.55 148.43 11.84 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.575 0 CA-C-N 115.794 -0.639 . . . . 74.34 112.341 -174.827 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.523 HG12 ' O ' ' A' ' 17' ' ' ILE . 2.8 p 58.32 9.91 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.478 0.934 0 C-N-CA 124.981 1.313 . . . . 73.51 113.362 172.731 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -84.14 164.03 19.43 Favored 'General case' 0 C--N 1.327 -0.382 0 O-C-N 121.963 -0.461 . . . . 61.2 110.347 176.15 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -47.2 -59.97 2.8 Favored 'General case' 0 N--CA 1.465 0.317 0 O-C-N 123.547 0.529 . . . . 65.4 112.282 -172.19 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 6.1 p90 -84.8 129.34 34.83 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.224 0.535 . . . . 61.22 111.085 -175.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 13.9 ttm180 -81.46 93.69 6.68 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 115.398 -0.819 . . . . 74.15 110.084 -175.809 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -149.08 147.19 28.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 72.32 110.701 -179.4 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 22.9 mmt180 -122.76 114.32 20.38 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.682 -0.488 . . . . 75.22 109.682 175.898 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 64.0 m -101.92 145.86 28.65 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.027 -0.533 . . . . 73.43 110.475 -179.372 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 33.7 ttm-85 -145.8 127.29 15.05 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.408 -0.59 . . . . 73.12 109.408 179.815 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 46.6 mmtm 50.93 32.89 7.92 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 116.272 -0.422 . . . . 75.12 111.186 178.812 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 99.9 -27.2 21.36 Favored Glycine 0 CA--C 1.52 0.374 0 CA-C-N 115.793 -0.639 . . . . 71.4 113.532 175.835 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -87.83 139.82 30.14 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 117.619 0.709 . . . . 61.31 110.765 -176.352 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 28.4 p -106.53 128.35 54.04 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-O 120.878 0.37 . . . . 71.31 111.131 -177.851 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 61.6 t -114.49 120.17 63.45 Favored 'Isoleucine or valine' 0 C--O 1.235 0.299 0 CA-C-N 115.767 -0.651 . . . . 71.25 109.286 174.759 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 43.2 mtm180 -116.66 114.9 24.7 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 110.15 -0.315 . . . . 72.35 110.15 -178.559 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 6.6 tpp180 . . . . . 0 C--N 1.325 -0.468 0 N-CA-C 109.612 -0.514 . . . . 75.21 109.612 177.435 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.638 ' HD2' ' N ' ' A' ' 7' ' ' LYS . 0.1 OUTLIER . . . . . 0 C--O 1.236 0.362 0 CA-C-O 120.489 0.185 . . . . 74.44 111.162 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.437 ' HD3' ' HA ' ' A' ' 7' ' ' LYS . 13.5 Cg_exo -69.37 -171.49 0.44 Allowed 'Trans proline' 0 C--N 1.355 0.879 0 C-N-CA 123.364 2.709 . . . . 75.23 112.707 -178.564 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 64.4 m -119.76 -172.03 2.25 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.508 -0.769 . . . . 72.43 110.999 -176.463 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 30.4 pt -65.5 177.51 0.32 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.272 0 CA-C-N 116.027 -0.533 . . . . 70.44 111.418 178.771 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 14.4 p -96.78 161.57 13.81 Favored 'General case' 0 C--O 1.242 0.667 0 CA-C-N 116.075 -0.511 . . . . 60.5 111.484 -177.258 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.667 ' HA ' ' SG ' ' A' ' 15' ' ' CYS . 30.8 t70 -56.04 -30.81 62.45 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 115.229 -0.896 . . . . 53.42 111.223 179.686 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 23.3 tptm -59.61 -35.26 73.99 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 116.016 -0.538 . . . . 75.52 110.213 178.579 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 31.8 mm-40 -84.64 -47.28 10.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.883 -0.599 . . . . 65.23 109.86 -178.692 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.667 ' SG ' ' HA ' ' A' ' 12' ' ' ASP . 28.1 p -88.62 48.71 1.67 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.185 0.517 . . . . 55.21 109.766 178.896 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 23.3 t -88.21 -170.4 2.95 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.78 -0.645 . . . . 42.34 110.831 -175.213 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.763 HG12 HG12 ' A' ' 18' ' ' VAL . 11.6 tt -54.26 123.24 4.87 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.338 0 CA-C-N 116.017 -0.538 . . . . 74.34 111.738 -177.588 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.763 HG12 HG12 ' A' ' 17' ' ' ILE . 7.8 p 32.4 91.05 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 C-N-CA 124.802 1.241 . . . . 73.51 114.116 177.644 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 34.0 mmtp -103.03 -172.78 2.17 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 114.935 -1.029 . . . . 61.2 109.166 172.711 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -70.08 -10.33 58.37 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-O 121.192 0.52 . . . . 65.4 110.109 176.541 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 34.4 p90 -132.07 139.35 48.49 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.569 -0.741 . . . . 61.22 109.686 177.325 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 40.8 ttm180 -86.7 99.37 11.71 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.907 -0.405 . . . . 74.15 109.907 -179.668 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -145.26 139.47 27.15 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.262 -0.427 . . . . 72.32 110.655 -178.289 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 31.0 mmt180 -130.88 122.99 28.01 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.263 -0.426 . . . . 75.22 109.963 175.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 37.4 m -88.32 145.93 25.57 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.03 -0.532 . . . . 73.43 110.512 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.408 HH11 ' HD3' ' A' ' 26' ' ' ARG . 14.6 ttm180 -137.27 101.14 4.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.281 -0.418 . . . . 73.12 110.294 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 43.4 mmtm 54.48 40.33 31.73 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 121.229 0.538 . . . . 75.12 111.308 176.324 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 100.25 -23.04 37.42 Favored Glycine 0 N--CA 1.453 -0.205 0 CA-C-N 115.743 -0.662 . . . . 71.4 112.851 178.238 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -80.79 165.72 21.63 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.713 -0.476 . . . . 61.31 109.713 176.598 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 13.8 p -136.35 123.33 21.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.849 0.357 . . . . 71.31 110.793 177.318 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 50.3 t -110.76 119.37 59.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.933 -0.576 . . . . 71.25 109.843 176.901 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 77.7 mtm180 -115.91 109.7 17.96 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.601 -0.518 . . . . 72.35 109.601 177.64 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.2 tpp180 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 115.965 -0.561 . . . . 75.21 111.223 -172.524 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.531 ' NZ ' ' HB2' ' A' ' 7' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.562 0.22 . . . . 74.44 110.839 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 7' ' ' LYS . 17.0 Cg_exo -68.8 -176.03 1.11 Allowed 'Trans proline' 0 C--N 1.348 0.533 0 C-N-CA 122.737 2.291 . . . . 75.23 110.674 169.355 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 53.4 m -113.97 171.69 7.44 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.786 0.327 . . . . 72.43 110.556 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.52 ' O ' ' SG ' ' A' ' 15' ' ' CYS . 18.5 tt -62.92 167.86 0.82 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.597 0 CA-C-N 115.598 -0.728 . . . . 70.44 110.849 -177.463 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -56.43 155.43 7.11 Favored 'General case' 0 CA--C 1.543 0.686 0 CA-C-O 121.723 0.773 . . . . 60.5 112.938 -175.926 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 18.9 p-10 -53.41 -47.09 69.88 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 114.768 -1.105 . . . . 53.42 112.688 -170.87 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 31.5 mtmm -65.38 -23.28 66.93 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.154 -0.476 . . . . 75.52 110.815 -176.431 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -90.22 -31.61 16.94 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.11 -0.496 . . . . 65.23 110.01 -177.219 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.52 ' SG ' ' O ' ' A' ' 10' ' ' ILE . 59.4 m -72.47 -19.38 61.57 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 115.8 -0.636 . . . . 55.21 110.384 174.326 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 38.7 t -74.04 81.2 1.72 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.936 -0.574 . . . . 42.34 110.553 -179.479 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.405 ' H ' HH22 ' A' ' 22' ' ' ARG . 6.9 tp -94.84 134.98 30.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.583 -0.735 . . . . 74.34 109.323 173.251 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 13.4 m -105.5 76.43 0.45 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.339 0 CA-C-O 121.249 0.547 . . . . 73.51 111.497 -176.67 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.41 ' HD3' ' HA ' ' A' ' 19' ' ' LYS . 38.9 mmtm -148.39 56.71 1.05 Allowed 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 115.934 -0.576 . . . . 61.2 110.777 178.166 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 43.5 m-80 73.88 -64.81 0.38 Allowed 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 123.639 0.776 . . . . 65.4 111.664 175.914 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 7.7 p90 -62.78 137.62 58.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.872 0.368 . . . . 61.22 110.223 -179.7 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.431 ' HA ' ' CZ ' ' A' ' 22' ' ' ARG . 2.5 tpm_? -113.54 97.02 6.18 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.123 0.487 . . . . 74.15 111.93 -174.389 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -96.12 123.29 39.67 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.999 -1.112 . . . . 72.32 107.999 166.34 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.87 116.81 17.68 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.976 0.417 . . . . 75.22 109.929 -176.691 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.642 ' SG ' ' HB3' ' A' ' 30' ' ' CYS . 71.7 m -91.8 113.32 25.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.902 -0.59 . . . . 73.43 110.873 179.281 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 15.4 ptt180 -112.71 121.15 43.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.914 -0.584 . . . . 73.12 109.831 176.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 56.2 mtpt 56.5 32.91 21.64 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 116.071 -0.513 . . . . 75.12 110.921 178.274 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 92.1 -23.26 27.66 Favored Glycine 0 C--N 1.334 0.42 0 CA-C-N 115.935 -0.575 . . . . 71.4 112.504 179.139 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 95.7 m-85 -89.8 128.02 36.07 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 109.989 -0.374 . . . . 61.31 109.989 -178.265 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.642 ' HB3' ' SG ' ' A' ' 25' ' ' CYS . 1.8 p -106.7 129.17 54.64 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.346 -0.388 . . . . 71.31 111.298 -171.688 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 34.8 m -108.81 141.17 24.79 Favored 'Isoleucine or valine' 0 C--O 1.236 0.351 0 CA-C-N 116.011 -0.54 . . . . 71.25 110.23 176.106 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 13.2 ptt180 -114.1 109.59 18.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.208 0.528 . . . . 72.35 110.324 179.635 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.425 ' HB2' ' HB3' ' A' ' 22' ' ' ARG . 31.3 mmt180 . . . . . 0 C--O 1.237 0.429 0 CA-C-N 115.658 -0.701 . . . . 75.21 110.779 -177.174 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 56.8 tptt . . . . . 0 C--O 1.236 0.368 0 N-CA-C 110.337 -0.245 . . . . 74.44 110.337 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -91.86 -169.18 0.26 Allowed 'Trans proline' 0 N--CA 1.457 -0.649 0 C-N-CA 122.971 2.447 . . . . 75.23 111.43 174.84 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 97.0 m -146.77 158.76 43.99 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.207 -0.451 . . . . 72.43 110.349 177.828 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.421 HG22 ' N ' ' A' ' 11' ' ' SER . 26.8 mm -87.34 165.96 2.02 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.315 0 N-CA-C 108.954 -0.758 . . . . 70.44 108.954 177.844 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.421 ' N ' HG22 ' A' ' 10' ' ' ILE . 32.4 p -55.65 168.42 0.42 Allowed 'General case' 0 C--O 1.243 0.756 0 CA-C-O 121.834 0.826 . . . . 60.5 112.912 -174.55 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -55.36 -31.06 61.45 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 114.959 -1.018 . . . . 53.42 110.86 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.457 ' NZ ' ' HB3' ' A' ' 13' ' ' LYS . 8.3 mtpm? -57.46 -34.34 68.9 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 115.737 -0.665 . . . . 75.52 111.291 177.814 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.2 tp10 -88.84 -42.21 12.01 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 115.977 -0.556 . . . . 65.23 110.263 -179.556 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 90.5 m -60.41 -31.01 69.98 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 116.037 -0.529 . . . . 55.21 111.379 -179.535 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 11.3 p -70.65 93.28 0.91 Allowed 'General case' 0 C--O 1.235 0.328 0 CA-C-O 121.068 0.461 . . . . 42.34 110.421 177.544 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 9.8 tp -130.94 160.05 42.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.612 -0.722 . . . . 74.34 109.246 -179.814 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.563 HG12 ' HG2' ' A' ' 19' ' ' LYS . 48.4 t -56.3 136.65 18.83 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.335 0 O-C-N 123.228 0.33 . . . . 73.51 111.385 -177.55 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.563 ' HG2' HG12 ' A' ' 18' ' ' VAL . 13.7 mmmm 59.87 38.95 20.96 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 115.611 -0.722 . . . . 61.2 111.928 -179.511 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 58.8 t30 -137.66 101.92 4.61 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 108.742 -0.836 . . . . 65.4 108.742 177.029 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 84.9 m-85 -52.62 171.38 0.06 Allowed 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 114.564 -1.198 . . . . 61.22 111.704 179.15 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 21.0 mmm180 -81.31 114.73 20.29 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.559 0.695 . . . . 74.15 112.71 -168.094 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -123.86 144.5 49.71 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 114.526 -1.216 . . . . 72.32 108.369 174.412 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.49 100.94 13.13 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.956 0.407 . . . . 75.22 109.979 -171.313 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 39.9 m -104.29 128.25 52.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.733 -0.667 . . . . 73.43 110.018 177.89 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.529 ' HG2' ' HG3' ' A' ' 27' ' ' LYS . 65.2 ttt180 -168.43 145.09 3.85 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 116.37 -0.377 . . . . 73.12 110.099 -177.462 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.529 ' HG3' ' HG2' ' A' ' 26' ' ' ARG . 54.2 mtpt 62.4 32.9 16.63 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 122.928 0.491 . . . . 75.12 110.942 177.105 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 78.53 -0.97 73.95 Favored Glycine 0 CA--C 1.519 0.282 0 CA-C-N 115.878 -0.601 . . . . 71.4 112.959 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -106.46 157.89 17.31 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.755 0.312 . . . . 61.31 110.287 179.753 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 4.9 p -135.99 117.71 15.02 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-N 116.131 -0.486 . . . . 71.31 110.03 178.231 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 59.3 t -112.25 122.58 66.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.259 -0.428 . . . . 71.25 110.659 -177.12 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.489 ' HD3' ' N ' ' A' ' 32' ' ' ARG . 0.5 OUTLIER -93.9 118.78 31.94 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.033 -0.729 . . . . 72.35 109.033 176.513 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 33.9 mtp-105 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.075 -0.511 . . . . 75.21 110.819 -176.38 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.234 0.262 0 N-CA-C 110.12 -0.326 . . . . 74.44 110.12 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 61.8 Cg_endo -72.51 -168.2 0.38 Allowed 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 122.352 2.035 . . . . 75.23 111.905 176.918 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 92.3 m -114.12 -171.92 2.0 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.209 -0.451 . . . . 72.43 110.337 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.44 HD13 ' HB3' ' A' ' 14' ' ' GLU . 1.6 pp -76.32 179.03 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.922 -0.581 . . . . 70.44 111.681 178.276 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 14.0 m -72.81 158.65 35.15 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-N 115.984 -0.553 . . . . 60.5 111.55 -176.555 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -56.17 -37.22 69.27 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 116.023 -0.535 . . . . 53.42 111.142 -176.433 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 46.6 mmtm -61.16 -29.86 70.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.972 -0.558 . . . . 75.52 110.118 178.909 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.44 ' HB3' HD13 ' A' ' 10' ' ' ILE . 6.7 tp10 -89.15 -22.34 22.88 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 115.667 -0.697 . . . . 65.23 109.884 178.421 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 65.9 m -71.91 10.37 0.72 Allowed 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 116.022 -0.535 . . . . 55.21 111.772 177.449 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 29.2 t -68.25 81.71 0.24 Allowed 'General case' 0 CA--C 1.533 0.315 0 CA-C-O 121.05 0.452 . . . . 42.34 110.436 179.427 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 66.5 mt -91.6 116.89 33.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.831 -0.622 . . . . 74.34 109.678 177.568 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 25.3 t -82.53 73.4 0.82 Allowed 'Isoleucine or valine' 0 C--O 1.238 0.468 0 CA-C-O 121.492 0.663 . . . . 73.51 110.41 -179.08 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -141.94 179.16 7.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.128 -0.942 . . . . 61.2 109.458 177.93 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -77.06 -25.59 52.58 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.735 -0.469 . . . . 65.4 109.735 176.839 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 96.0 m-85 -75.99 137.82 40.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.668 -0.696 . . . . 61.22 109.861 176.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 15.6 tpp180 -128.39 133.0 48.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.475 -0.329 . . . . 74.15 110.174 -178.467 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -114.74 172.49 7.0 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.306 -0.406 . . . . 72.32 110.785 -179.04 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 40.2 mmm-85 -122.89 127.89 49.58 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.136 -0.69 . . . . 75.22 109.136 178.877 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 67.6 m -125.28 134.08 52.42 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.769 0.319 . . . . 73.43 110.585 179.452 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 55.7 ttt180 -158.11 133.12 8.57 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.505 -0.554 . . . . 73.12 109.505 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.568 ' NZ ' ' HB3' ' A' ' 27' ' ' LYS . 3.2 mmmp? 54.98 32.34 17.87 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-O 121.172 0.51 . . . . 75.12 110.098 -176.732 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 77.9 -19.33 4.34 Favored Glycine 0 CA--C 1.522 0.504 0 CA-C-N 115.82 -0.627 . . . . 71.4 112.72 -177.341 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 7.9 t80 -68.14 134.27 50.27 Favored 'General case' 0 C--O 1.236 0.382 0 O-C-N 122.483 -0.422 . . . . 61.31 110.342 -179.454 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.1 p -111.24 118.69 36.61 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.053 -0.521 . . . . 71.31 110.956 -176.545 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 61.7 t -113.74 139.95 36.69 Favored 'Isoleucine or valine' 0 C--O 1.233 0.232 0 CA-C-N 115.633 -0.712 . . . . 71.25 109.569 178.027 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 28.5 ptt180 -140.31 146.46 38.54 Favored 'General case' 0 C--O 1.235 0.336 0 N-CA-C 110.353 -0.24 . . . . 72.35 110.353 -177.679 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.463 ' HG3' ' O ' ' A' ' 33' ' ' ARG . 32.0 ptt85 . . . . . 0 CA--C 1.53 0.203 0 N-CA-C 108.708 -0.849 . . . . 75.21 108.708 171.637 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.48 ' O ' ' SG ' ' A' ' 30' ' ' CYS . 67.0 mttm . . . . . 0 CA--C 1.53 0.177 0 N-CA-C 110.034 -0.358 . . . . 74.44 110.034 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.558 ' HA ' ' O ' ' A' ' 28' ' ' GLY . 15.5 Cg_endo -56.26 126.76 23.41 Favored 'Trans proline' 0 C--N 1.352 0.746 0 C-N-CA 122.685 2.256 . . . . 75.23 111.587 -179.17 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.669 ' SG ' ' SG ' ' A' ' 25' ' ' CYS . 19.8 p -122.08 170.8 9.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.983 0.42 . . . . 72.43 111.471 -177.134 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.621 HG22 ' H ' ' A' ' 11' ' ' SER . 6.2 mm -87.09 177.25 0.61 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.613 0 CA-C-N 115.848 -0.615 . . . . 70.44 110.033 -174.779 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.621 ' H ' HG22 ' A' ' 10' ' ' ILE . 13.8 m -55.38 162.57 1.48 Allowed 'General case' 0 CA--C 1.538 0.482 0 N-CA-C 112.554 0.575 . . . . 60.5 112.554 -176.42 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -54.94 -35.25 64.03 Favored 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 112.798 0.666 . . . . 53.42 112.798 -172.708 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.41 ' HE2' ' HB3' ' A' ' 13' ' ' LYS . 16.8 ptpt -61.24 -22.81 65.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.806 0.336 . . . . 75.52 111.261 179.816 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 25.8 mm-40 -92.49 -40.31 10.9 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.306 -0.627 . . . . 65.23 109.306 174.201 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.499 ' HB2' ' HB2' ' A' ' 25' ' ' CYS . 34.3 t -51.81 -54.36 29.78 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 114.685 -1.143 . . . . 55.21 111.094 -178.522 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.521 ' HB3' ' HB3' ' A' ' 23' ' ' ALA . 35.4 p -120.14 89.13 3.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.026 -0.534 . . . . 42.34 110.714 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 10.1 tt -122.0 -42.8 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.876 -0.602 . . . . 74.34 109.587 173.541 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.7 p -79.12 -39.3 21.19 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.187 0 CA-C-N 115.959 -0.564 . . . . 73.51 110.532 177.893 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 54.8 mtmt -135.81 102.72 5.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.798 -0.637 . . . . 61.2 109.936 179.645 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.516 ' HA ' ' HB2' ' A' ' 16' ' ' SER . 2.4 p-10 -104.3 80.18 1.68 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.332 0.587 . . . . 65.4 110.773 -178.243 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 5.1 p90 -113.79 -68.18 0.94 Allowed 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 115.54 -0.755 . . . . 61.22 109.779 176.087 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 69.3 mtp180 -151.21 85.41 1.33 Allowed 'General case' 0 C--O 1.235 0.33 0 N-CA-C 109.604 -0.517 . . . . 74.15 109.604 176.685 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.521 ' HB3' ' HB3' ' A' ' 16' ' ' SER . . . -142.02 118.68 11.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.791 -0.641 . . . . 72.32 109.67 179.073 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 78.5 mtp180 -125.6 100.93 6.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.031 0.444 . . . . 75.22 110.289 -177.243 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.669 ' SG ' ' SG ' ' A' ' 9' ' ' CYS . 63.0 m -113.49 143.35 44.67 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 108.843 -0.799 . . . . 73.43 108.843 175.491 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 20.6 ttt180 -170.87 126.87 0.72 Allowed 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.935 -0.306 . . . . 73.12 111.321 -172.201 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 52.3 mttm 54.98 34.94 23.49 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 115.83 -0.623 . . . . 75.12 112.046 177.367 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.558 ' O ' ' HA ' ' A' ' 8' ' ' PRO . . . 94.05 -24.83 24.9 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.99 -0.624 . . . . 71.4 112.093 179.142 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 44.5 m-85 -76.66 152.61 35.73 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 110.132 -0.322 . . . . 61.31 110.132 -178.333 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.48 ' SG ' ' O ' ' A' ' 7' ' ' LYS . 31.0 m -134.07 129.7 36.4 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 116.243 -0.435 . . . . 71.31 111.003 -174.298 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 48.5 t -132.58 114.32 22.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.043 -0.526 . . . . 71.25 109.683 173.462 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.3 tmm_? -141.84 113.28 7.67 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 107.87 -1.159 . . . . 72.35 107.87 178.769 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 11.0 ttt180 . . . . . 0 C--N 1.326 -0.434 0 CA-C-O 121.049 0.452 . . . . 75.21 111.176 -170.407 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 26.7 mtpp . . . . . 0 CA--C 1.529 0.153 0 CA-C-O 120.626 0.25 . . . . 74.44 111.265 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_endo -80.74 -166.19 0.39 Allowed 'Trans proline' 0 N--CA 1.461 -0.392 0 C-N-CA 122.84 2.36 . . . . 75.23 110.249 169.314 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.423 ' SG ' ' N ' ' A' ' 10' ' ' ILE . 51.7 t -113.94 -178.36 3.35 Favored 'General case' 0 C--N 1.313 -0.988 0 N-CA-C 108.564 -0.902 . . . . 72.43 108.564 178.13 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.748 HD13 ' HG2' ' A' ' 14' ' ' GLU . 12.8 tt -98.86 161.06 3.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 C-N-CA 120.648 -0.421 . . . . 70.44 110.523 -176.567 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 15.5 m -56.6 155.75 7.07 Favored 'General case' 0 CA--C 1.535 0.396 0 N-CA-C 113.095 0.776 . . . . 60.5 113.095 -171.537 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.424 ' HA ' ' SG ' ' A' ' 15' ' ' CYS . 4.6 p-10 -53.43 -41.28 65.91 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 115.0 -1.0 . . . . 53.42 111.605 -179.576 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 17.5 ttpp -55.24 -34.81 64.32 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.285 0.564 . . . . 75.52 110.709 177.716 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.748 ' HG2' HD13 ' A' ' 10' ' ' ILE . 17.1 tp10 -94.6 -13.91 25.49 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.685 -0.689 . . . . 65.23 110.042 -176.869 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.424 ' SG ' ' HA ' ' A' ' 12' ' ' ASP . 72.0 m -70.07 -51.43 31.95 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 116.091 -0.504 . . . . 55.21 110.402 172.362 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 15.8 m -102.89 91.73 4.27 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 116.025 -0.534 . . . . 42.34 111.177 -176.581 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.496 ' N ' HD12 ' A' ' 17' ' ' ILE . 3.4 mp -90.8 70.47 0.7 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.153 0 N-CA-C 108.952 -0.759 . . . . 74.34 108.952 178.232 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 9.7 m 40.72 24.84 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.416 0 C-N-CA 124.343 1.057 . . . . 73.51 112.904 -175.93 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.0 tppp? -98.15 152.45 19.34 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.669 -0.696 . . . . 61.2 110.285 -176.104 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 57.9 t30 -77.32 67.16 3.22 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-O 121.423 0.63 . . . . 65.4 111.056 179.697 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 49.0 m-85 -147.38 152.66 38.53 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 108.552 -0.907 . . . . 61.22 108.552 174.392 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 38.3 ttm180 -142.74 129.94 20.93 Favored 'General case' 0 C--O 1.238 0.454 0 CA-C-O 121.275 0.56 . . . . 74.15 111.398 -176.893 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -149.31 155.07 39.96 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 114.912 -1.04 . . . . 72.32 108.379 176.102 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 70.8 ttt180 -95.02 102.6 14.42 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.811 0.339 . . . . 75.22 110.334 -176.839 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.478 ' SG ' ' SG ' ' A' ' 30' ' ' CYS . 32.0 m -102.78 113.36 26.72 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.84 -0.618 . . . . 73.43 109.766 177.411 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.439 ' NH1' ' HD1' ' A' ' 29' ' ' TYR . 2.4 tmm_? -134.28 126.09 29.04 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.87 -0.418 . . . . 73.12 109.87 -177.742 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 53.3 mtpt 55.76 32.88 20.34 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 123.17 0.588 . . . . 75.12 110.91 -175.493 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 78.9 0.42 81.61 Favored Glycine 0 C--O 1.224 -0.473 0 CA-C-N 115.871 -0.604 . . . . 71.4 113.179 178.172 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.439 ' HD1' ' NH1' ' A' ' 26' ' ' ARG . 25.5 m-85 -94.68 127.95 41.02 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 108.001 -1.111 . . . . 61.31 108.001 174.865 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.478 ' SG ' ' SG ' ' A' ' 25' ' ' CYS . 83.7 m -108.67 129.48 55.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.79 0.329 . . . . 71.31 111.004 -177.381 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 16.8 m -134.76 120.53 31.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 N-CA-C 109.477 -0.564 . . . . 71.25 109.477 174.358 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.4 HH11 ' HD3' ' A' ' 32' ' ' ARG . 33.7 ttt180 -81.65 109.67 16.29 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 110.027 -0.36 . . . . 72.35 110.027 -178.856 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 N-CA-C 108.733 -0.84 . . . . 75.21 108.733 177.467 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.102 0 CA-C-O 120.561 0.22 . . . . 51.55 110.54 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -113.46 90.67 3.41 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.19 -0.67 . . . . 61.45 109.19 178.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 8.6 tt -63.44 110.17 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.043 -0.526 . . . . 71.14 110.144 -177.396 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 9.5 pt20 -140.74 153.02 45.73 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.169 -0.469 . . . . 72.04 110.652 -173.403 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 56.6 tp -89.52 117.86 28.73 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.562 -0.533 . . . . 65.04 109.562 176.196 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.3 t -61.83 141.98 57.61 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-O 120.981 0.42 . . . . 74.24 110.586 -179.633 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.421 ' HA ' ' HD3' ' A' ' 8' ' ' PRO . 18.1 ptpt -121.75 149.08 52.44 Favored Pre-proline 0 C--N 1.326 -0.445 0 CA-C-N 115.544 -0.753 . . . . 74.44 110.356 -177.268 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 7' ' ' LYS . 24.3 Cg_exo -64.86 -178.18 0.7 Allowed 'Trans proline' 0 C--N 1.35 0.609 0 C-N-CA 123.083 2.522 . . . . 75.23 113.155 -178.251 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.409 ' HB3' HD13 ' A' ' 10' ' ' ILE . 97.0 m -113.76 -179.34 3.61 Favored 'General case' 0 C--O 1.238 0.452 0 CA-C-N 115.919 -0.582 . . . . 72.43 110.768 178.702 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.56 HG12 ' SG ' ' A' ' 15' ' ' CYS . 0.2 OUTLIER -57.32 164.35 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.392 0 CA-C-N 116.035 -0.53 . . . . 70.44 111.747 178.387 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 14.8 m -70.58 160.19 32.96 Favored 'General case' 0 C--O 1.239 0.544 0 CA-C-N 115.729 -0.669 . . . . 60.5 111.569 -176.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -55.25 -35.03 64.55 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 115.775 -0.648 . . . . 53.42 110.767 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 51.5 mtpt -54.05 -38.6 65.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.523 -0.762 . . . . 75.52 110.655 176.51 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -89.78 -25.12 21.27 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.468 -0.787 . . . . 65.23 110.168 -176.828 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.56 ' SG ' HG12 ' A' ' 10' ' ' ILE . 36.9 m -79.95 9.29 5.55 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 115.89 -0.595 . . . . 55.21 111.48 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 48.9 m -102.87 177.33 4.87 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-O 120.77 0.319 . . . . 42.34 111.11 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 33.7 pt -66.22 -1.19 1.04 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.403 0 CA-C-N 116.117 -0.492 . . . . 74.34 112.255 -172.109 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 38.9 t -55.99 -36.08 43.27 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.239 0 CA-C-O 121.283 0.563 . . . . 73.51 109.89 173.812 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -101.25 12.07 38.19 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 115.481 -0.781 . . . . 61.2 111.091 179.402 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 77.88 -8.11 1.72 Allowed 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 123.649 0.78 . . . . 65.4 111.527 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 90.4 m-85 -94.13 173.22 7.76 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.421 -0.354 . . . . 61.22 110.979 178.643 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 11.3 ptt180 -153.58 98.92 2.27 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-O 121.46 0.648 . . . . 74.15 110.754 -179.134 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -137.49 163.9 30.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.837 -0.619 . . . . 72.32 110.038 179.002 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 53.6 ttt180 -103.91 112.13 24.97 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.357 -0.609 . . . . 75.22 109.357 178.659 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.446 ' HA ' ' O ' ' A' ' 29' ' ' TYR . 70.9 m -117.37 118.51 32.43 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.26 0.553 . . . . 73.43 110.152 -178.625 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 57.5 ttt180 -135.32 117.36 15.34 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.57 -0.741 . . . . 73.12 110.087 -175.202 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt 56.33 32.97 21.47 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 121.365 0.602 . . . . 75.12 110.526 -178.268 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 91.31 -20.95 37.48 Favored Glycine 0 N--CA 1.45 -0.381 0 CA-C-N 115.393 -0.821 . . . . 71.4 112.615 178.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.446 ' O ' ' HA ' ' A' ' 25' ' ' CYS . 4.3 t80 -71.4 128.04 34.55 Favored 'General case' 0 C--N 1.333 -0.151 0 N-CA-C 109.036 -0.727 . . . . 61.31 109.036 -179.406 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.2 p -115.39 118.34 32.95 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.924 0.393 . . . . 71.31 111.233 -174.335 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 18.2 m -135.9 128.87 47.1 Favored 'Isoleucine or valine' 0 C--O 1.233 0.225 0 CA-C-N 116.028 -0.533 . . . . 71.25 110.379 178.48 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.541 HH12 ' HG2' ' A' ' 34' ' ' ARG . 3.4 tmm_? -87.2 109.81 19.73 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 108.262 -1.014 . . . . 72.35 108.262 175.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 30.0 mmm180 -100.52 174.04 6.27 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.969 -0.559 . . . . 75.21 111.688 -171.726 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.541 ' HG2' HH12 ' A' ' 32' ' ' ARG . 25.2 mmm180 -117.63 154.1 32.16 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.467 -0.788 . . . . 63.45 109.092 171.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 10.4 tt -70.74 -36.9 66.84 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.673 0 CA-C-O 121.222 0.534 . . . . 74.43 109.608 174.154 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 40.4 ttm180 . . . . . 0 C--O 1.247 0.961 0 CA-C-N 115.535 -0.757 . . . . 74.55 109.378 179.121 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.003 0 CA-C-O 121.002 0.43 . . . . 51.55 110.033 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 84.1 t80 -151.87 120.42 6.46 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.818 -0.628 . . . . 61.45 109.54 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 58.0 mt -58.19 109.33 0.35 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.318 0 CA-C-N 116.453 -0.339 . . . . 71.14 110.424 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 87.0 mm-40 -70.85 98.85 1.64 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.091 -0.504 . . . . 72.04 110.591 -179.322 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 61.6 tp -70.06 93.93 0.84 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.077 -0.51 . . . . 65.04 110.074 176.316 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.5 t -73.29 147.82 44.16 Favored 'General case' 0 C--O 1.238 0.452 0 N-CA-C 109.355 -0.609 . . . . 74.24 109.355 176.553 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.453 ' NZ ' ' HB3' ' A' ' 7' ' ' LYS . 6.3 ttpm? -126.08 106.28 25.23 Favored Pre-proline 0 C--N 1.322 -0.589 0 CA-C-N 116.378 -0.373 . . . . 74.44 110.534 -179.01 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 81.9 Cg_endo -85.19 -169.7 0.66 Allowed 'Trans proline' 0 N--CA 1.456 -0.678 0 C-N-CA 122.577 2.184 . . . . 75.23 111.506 173.589 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.427 ' SG ' ' N ' ' A' ' 30' ' ' CYS . 32.7 m -113.61 -171.45 1.89 Allowed 'General case' 0 C--N 1.317 -0.808 0 N-CA-C 108.284 -1.006 . . . . 72.43 108.284 176.555 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.662 ' HB ' ' SG ' ' A' ' 15' ' ' CYS . 35.6 mt -52.98 138.45 12.14 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.394 0 N-CA-C 108.723 -0.843 . . . . 70.44 108.723 169.917 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 26.0 m -74.35 161.39 29.91 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 112.088 0.403 . . . . 60.5 112.088 -171.05 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -50.24 -50.03 51.15 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 115.63 -0.714 . . . . 53.42 110.664 -178.53 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.425 ' HE3' ' HB2' ' A' ' 13' ' ' LYS . 38.7 mtmt -62.84 -21.94 66.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 114.633 -1.167 . . . . 75.52 111.63 -176.096 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.591 ' HB2' HG22 ' A' ' 10' ' ' ILE . 29.6 mm-40 -98.59 -33.6 10.91 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.094 -0.503 . . . . 65.23 111.402 -173.493 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.662 ' SG ' ' HB ' ' A' ' 10' ' ' ILE . 61.7 m -80.24 -61.81 1.87 Allowed 'General case' 0 C--O 1.238 0.456 0 CA-C-O 120.87 0.367 . . . . 55.21 110.989 -179.153 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 13.5 t -81.25 81.49 7.41 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-O 121.627 0.727 . . . . 42.34 110.678 -171.548 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 48.7 mm -110.37 -42.76 5.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 N-CA-C 108.169 -1.049 . . . . 74.34 108.169 171.232 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 27.8 m -102.52 133.88 44.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 114.85 -1.068 . . . . 73.51 109.612 173.313 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -104.22 42.71 1.16 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.145 0.498 . . . . 61.2 109.933 -178.91 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -136.58 96.64 3.38 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.516 -0.765 . . . . 65.4 110.568 -178.626 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 87.9 t80 53.92 81.73 0.09 Allowed 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 115.641 -0.709 . . . . 61.22 110.865 175.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.6 tpp85 -156.03 165.73 35.58 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.113 -0.494 . . . . 74.15 110.439 -177.217 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.09 125.74 27.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.474 -0.33 . . . . 72.32 110.338 176.193 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 55.9 mtm180 -93.81 101.03 13.12 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 110.057 -0.349 . . . . 75.22 110.057 -178.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 61.0 m -89.72 125.03 35.12 Favored 'General case' 0 C--O 1.238 0.46 0 CA-C-N 116.222 -0.445 . . . . 73.43 110.361 179.624 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 61.4 mtp180 -127.54 134.13 49.76 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-N 115.994 -0.548 . . . . 73.12 110.277 178.218 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 67.2 mttm 60.73 32.59 20.24 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 115.835 -0.62 . . . . 75.12 110.866 175.691 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 83.49 -6.04 74.92 Favored Glycine 0 N--CA 1.45 -0.368 0 CA-C-N 115.576 -0.738 . . . . 71.4 113.324 178.658 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -108.01 156.9 18.72 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 117.38 0.59 . . . . 61.31 110.014 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.427 ' N ' ' SG ' ' A' ' 9' ' ' CYS . 9.2 p -106.34 128.16 53.8 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-O 121.178 0.513 . . . . 71.31 111.654 -173.25 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 60.8 t -117.08 138.92 46.17 Favored 'Isoleucine or valine' 0 C--O 1.237 0.446 0 CA-C-N 115.562 -0.745 . . . . 71.25 109.974 178.34 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 31.7 mmt180 -97.01 125.06 41.17 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 121.11 0.481 . . . . 72.35 110.822 -175.488 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 15.4 ttt180 -76.35 129.29 36.39 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.263 -0.881 . . . . 75.21 110.902 178.15 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.416 HH11 ' HD3' ' A' ' 34' ' ' ARG . 7.7 ptp180 -82.07 158.06 23.88 Favored 'General case' 0 C--O 1.236 0.356 0 N-CA-C 109.754 -0.462 . . . . 63.45 109.754 173.032 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 45.8 mm -88.12 -38.95 12.36 Favored 'Isoleucine or valine' 0 C--O 1.236 0.372 0 CA-C-O 120.945 0.402 . . . . 74.43 110.535 -179.399 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.253 1.282 0 N-CA-C 108.933 -0.765 . . . . 74.55 108.933 -177.748 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.059 0 N-CA-C 110.33 -0.248 . . . . 51.55 110.33 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 -109.7 76.15 0.98 Allowed 'General case' 0 C--O 1.234 0.287 0 N-CA-C 109.33 -0.619 . . . . 61.45 109.33 177.831 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 11.4 tt -72.52 83.06 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 121.976 0.893 . . . . 71.14 109.98 -179.576 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 98.8 mt-30 -101.46 106.07 17.15 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.27 -0.877 . . . . 72.04 110.511 -177.332 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 84.5 mt -75.24 100.26 4.29 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.54 -0.541 . . . . 65.04 109.54 176.278 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 p -58.02 115.71 3.05 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 121.169 0.509 . . . . 74.24 110.155 177.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 61.7 tttm -116.31 93.51 39.7 Favored Pre-proline 0 C--N 1.324 -0.506 0 CA-C-N 115.364 -0.834 . . . . 74.44 110.276 -173.002 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 67.9 Cg_endo -85.24 -164.83 0.25 Allowed 'Trans proline' 0 C--N 1.348 0.516 0 C-N-CA 123.033 2.489 . . . . 75.23 112.31 -178.189 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 56.0 m -119.43 -173.04 2.44 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.045 -0.525 . . . . 72.43 110.047 179.399 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 46.2 mm -85.6 154.44 3.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 N-CA-C 109.72 -0.474 . . . . 70.44 109.72 177.599 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 33.2 p -69.56 158.68 34.79 Favored 'General case' 0 C--O 1.24 0.591 0 CA-C-O 121.133 0.492 . . . . 60.5 111.986 -176.695 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.617 ' HA ' ' SG ' ' A' ' 15' ' ' CYS . 11.7 t70 -50.76 -32.06 18.6 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 115.166 -0.925 . . . . 53.42 111.025 178.876 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 58.8 tptt -52.88 -34.58 55.32 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 115.332 -0.849 . . . . 75.52 111.909 -178.77 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -108.39 -37.81 5.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.523 -0.308 . . . . 65.23 111.135 -177.461 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.617 ' SG ' ' HA ' ' A' ' 12' ' ' ASP . 21.1 p -80.26 19.66 0.74 Allowed 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 111.854 0.316 . . . . 55.21 111.854 -176.43 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 29.8 m -57.34 113.19 1.65 Allowed 'General case' 0 CA--C 1.533 0.316 0 N-CA-C 109.23 -0.655 . . . . 42.34 109.23 172.156 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 18.6 pt -67.9 83.99 0.12 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.325 0 CA-C-O 121.844 0.831 . . . . 74.34 113.05 -169.186 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 26.9 m -123.65 14.37 5.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.017 -0.992 . . . . 73.51 109.29 171.043 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.572 ' HG3' ' H ' ' A' ' 20' ' ' ASN . 40.4 tptt -110.09 -176.92 3.12 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 115.128 -0.942 . . . . 61.2 109.372 -176.156 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.572 ' H ' ' HG3' ' A' ' 19' ' ' LYS . 17.6 m120 -81.06 39.28 0.5 Allowed 'General case' 0 N--CA 1.47 0.553 0 CA-C-O 120.961 0.41 . . . . 65.4 111.195 178.39 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 6.6 t80 -151.13 179.59 8.15 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 108.954 -0.758 . . . . 61.22 108.954 179.772 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 20.4 ptt180 -156.15 103.26 2.18 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-O 121.302 0.572 . . . . 74.15 111.835 -175.361 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.444 ' HA ' ' O ' ' A' ' 31' ' ' VAL . . . -148.32 119.9 8.0 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 115.513 -0.767 . . . . 72.32 110.343 178.4 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 18.1 tpp85 -93.69 110.15 21.78 Favored 'General case' 0 C--N 1.332 -0.184 0 N-CA-C 109.287 -0.634 . . . . 75.22 109.287 177.815 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.619 ' HA ' ' HA ' ' A' ' 30' ' ' CYS . 50.9 m -84.58 133.59 34.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.295 -0.411 . . . . 73.43 111.673 -174.003 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.406 ' HG2' ' HG2' ' A' ' 27' ' ' LYS . 20.9 ttt180 -159.49 144.85 15.73 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.148 -0.686 . . . . 73.12 109.148 178.743 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.406 ' HG2' ' HG2' ' A' ' 26' ' ' ARG . 34.2 mmtp 58.84 32.77 22.55 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 116.215 -0.448 . . . . 75.12 110.639 -178.764 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 79.97 -11.96 32.64 Favored Glycine 0 CA--C 1.52 0.367 0 CA-C-N 115.847 -0.615 . . . . 71.4 112.934 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 31.2 m-85 -99.33 171.32 8.05 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 110.066 -0.346 . . . . 61.31 110.066 -179.734 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.619 ' HA ' ' HA ' ' A' ' 25' ' ' CYS . 27.0 p -128.36 118.23 22.82 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 110.04 -0.356 . . . . 71.31 110.04 175.813 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.444 ' O ' ' HA ' ' A' ' 23' ' ' ALA . 23.3 t -82.67 102.14 8.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 N-CA-C 109.098 -0.705 . . . . 71.25 109.098 178.163 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 15.7 ptp180 -94.65 116.12 28.37 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.07 -0.968 . . . . 72.35 110.43 -176.55 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 20.1 tpp180 -82.4 94.46 7.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.725 -0.67 . . . . 75.21 110.598 -176.109 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 39.1 ttm180 -98.6 117.13 32.35 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.896 -0.409 . . . . 63.45 109.896 174.775 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 40.1 mt -86.97 63.38 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-O 121.634 0.731 . . . . 74.43 109.533 178.499 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 4.8 tpp180 . . . . . 0 C--O 1.249 1.049 0 CA-C-N 114.857 -1.065 . . . . 74.55 109.018 177.909 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.089 0 CA-C-O 120.904 0.383 . . . . 51.55 110.831 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 47.2 p90 -135.74 12.18 3.42 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 115.951 -0.568 . . . . 61.45 110.238 177.408 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 65.7 mt -74.63 136.04 26.05 Favored 'Isoleucine or valine' 0 C--O 1.233 0.22 0 CA-C-N 115.764 -0.653 . . . . 71.14 110.454 -177.71 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 59.7 tt0 -58.82 -64.68 0.85 Allowed 'General case' 0 C--O 1.234 0.274 0 O-C-N 123.332 0.395 . . . . 72.04 110.496 178.757 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 68.3 tp -163.55 119.95 1.74 Allowed 'General case' 0 C--O 1.234 0.28 0 CA-C-N 116.046 -0.525 . . . . 65.04 110.652 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.0 p -106.89 172.8 6.62 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.768 -0.827 . . . . 74.24 108.768 171.438 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 21.5 pttm -77.51 157.19 80.42 Favored Pre-proline 0 C--O 1.235 0.313 0 N-CA-C 109.888 -0.412 . . . . 74.44 109.888 176.505 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_exo -65.0 -155.01 0.03 OUTLIER 'Trans proline' 0 CA--C 1.535 0.553 0 C-N-CA 122.842 2.362 . . . . 75.23 112.012 176.167 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 59.3 m -113.75 -177.35 3.11 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.95 0.405 . . . . 72.43 110.399 -177.839 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.614 HD13 ' H ' ' A' ' 10' ' ' ILE . 0.2 OUTLIER -68.99 167.76 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.779 -0.646 . . . . 70.44 110.298 175.116 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 17.1 m -71.8 160.48 32.51 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.238 -0.437 . . . . 60.5 111.108 -177.256 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.646 ' HA ' ' SG ' ' A' ' 15' ' ' CYS . 21.9 p-10 -59.85 -39.43 85.16 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.945 -0.57 . . . . 53.42 111.422 -176.919 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.465 ' HD3' ' N ' ' A' ' 14' ' ' GLU . 0.0 OUTLIER -66.98 -15.85 63.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.118 -0.492 . . . . 75.52 111.201 177.046 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.465 ' N ' ' HD3' ' A' ' 13' ' ' LYS . 9.3 tp10 -96.58 -38.41 9.98 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.166 -0.47 . . . . 65.23 110.617 -174.614 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.646 ' SG ' ' HA ' ' A' ' 12' ' ' ASP . 4.8 p -73.15 -20.16 60.97 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 116.491 -0.322 . . . . 55.21 111.382 179.582 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 13.6 p -90.88 91.27 8.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.962 0.41 . . . . 42.34 109.969 176.266 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 57.8 mt -96.64 -75.87 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.142 -0.481 . . . . 74.34 111.008 -177.079 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.54 HG22 ' HE ' ' A' ' 22' ' ' ARG . 31.4 m -91.26 145.87 6.93 Favored 'Isoleucine or valine' 0 C--O 1.233 0.22 0 CA-C-N 116.344 -0.389 . . . . 73.51 110.924 -177.087 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 31.9 mtmm -81.81 94.15 6.99 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.714 -0.675 . . . . 61.2 110.722 -177.828 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -171.41 -77.69 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 114.984 -1.007 . . . . 65.4 108.88 177.752 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 79.6 m-85 -153.55 137.93 16.69 Favored 'General case' 0 CA--C 1.512 -0.484 0 N-CA-C 109.004 -0.739 . . . . 61.22 109.004 173.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.54 ' HE ' HG22 ' A' ' 18' ' ' VAL . 8.9 mmt180 -156.08 166.74 32.55 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 115.627 -0.715 . . . . 74.15 109.978 -173.583 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.72 132.18 48.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.307 -0.406 . . . . 72.32 110.401 -177.626 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 35.2 mmt180 -95.61 117.18 29.98 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.632 -0.507 . . . . 75.22 109.632 -178.055 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.51 ' HB2' ' HA ' ' A' ' 12' ' ' ASP . 61.1 m -103.74 143.71 32.43 Favored 'General case' 0 C--O 1.238 0.466 0 CA-C-O 121.113 0.482 . . . . 73.43 111.202 -174.655 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 28.6 ptt180 -151.83 127.97 10.47 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 115.23 -0.896 . . . . 73.12 109.773 -177.448 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 56.18 32.43 20.2 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 122.9 0.48 . . . . 75.12 111.278 -178.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 85.37 -11.09 61.94 Favored Glycine 0 CA--C 1.521 0.434 0 C-N-CA 121.277 -0.487 . . . . 71.4 113.315 179.247 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 51.0 m-85 -90.62 140.38 29.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 117.187 0.494 . . . . 61.31 109.672 178.663 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 28.6 p -106.58 131.53 53.63 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.997 0.427 . . . . 71.31 110.937 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 33.9 t -103.6 109.79 28.1 Favored 'Isoleucine or valine' 0 C--O 1.237 0.44 0 N-CA-C 109.21 -0.663 . . . . 71.25 109.21 174.702 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 13.7 ptp180 -133.3 119.05 19.25 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.574 -0.739 . . . . 72.35 110.121 -177.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 24.2 mtm180 -119.39 96.13 5.08 Favored 'General case' 0 C--O 1.233 0.215 0 N-CA-C 109.831 -0.433 . . . . 75.21 109.831 178.224 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 22.1 tpp180 -86.48 102.98 14.58 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.215 -0.448 . . . . 63.45 109.825 177.74 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.401 HG12 ' O ' ' A' ' 35' ' ' ILE . 5.2 tt -125.56 80.22 0.67 Allowed 'Isoleucine or valine' 0 N--CA 1.442 -0.873 0 CA-C-O 121.895 0.855 . . . . 74.43 109.276 177.234 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.406 HH11 ' HD2' ' A' ' 36' ' ' ARG . 12.9 mmt180 . . . . . 0 C--O 1.245 0.84 0 CA-C-N 115.091 -0.959 . . . . 74.55 109.319 -178.765 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.876 0 CA-C-O 120.752 0.311 . . . . 51.55 110.679 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 29.0 p90 -125.12 119.39 28.46 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 108.791 -0.818 . . . . 61.45 108.791 177.857 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 38.0 pt -90.37 34.88 0.09 OUTLIER 'Isoleucine or valine' 0 C--O 1.236 0.357 0 CA-C-O 121.424 0.631 . . . . 71.14 111.369 -173.667 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -117.29 66.4 0.73 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.643 0.735 . . . . 72.04 110.101 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 86.2 mt -78.5 76.24 5.0 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 108.518 -0.919 . . . . 65.04 108.518 173.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.4 t -74.84 139.55 43.28 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.565 -0.743 . . . . 74.24 110.831 -175.833 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 92.9 mttt -130.12 110.35 16.78 Favored Pre-proline 0 C--N 1.323 -0.554 0 CA-C-N 115.184 -0.916 . . . . 74.44 109.725 179.084 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.452 ' HB3' ' HA ' ' A' ' 29' ' ' TYR . 14.0 Cg_exo -70.37 -151.24 0.03 OUTLIER 'Trans proline' 0 CA--C 1.534 0.52 0 C-N-CA 123.237 2.625 . . . . 75.23 111.739 177.336 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.434 ' HB2' ' HB3' ' A' ' 30' ' ' CYS . 62.9 m -126.67 175.11 8.21 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 116.634 -0.257 . . . . 72.43 110.382 -178.002 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.43 HG22 ' N ' ' A' ' 11' ' ' SER . 23.8 mm -68.13 167.24 1.65 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.443 0 N-CA-C 109.319 -0.623 . . . . 70.44 109.319 177.343 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.43 ' N ' HG22 ' A' ' 10' ' ' ILE . 20.2 m -55.19 160.43 2.16 Favored 'General case' 0 C--O 1.243 0.712 0 CA-C-O 121.714 0.769 . . . . 60.5 112.733 -176.114 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -56.16 -33.24 65.04 Favored 'General case' 0 N--CA 1.461 0.117 0 CA-C-N 115.046 -0.979 . . . . 53.42 111.621 -176.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -55.95 -36.83 68.23 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 121.187 0.518 . . . . 75.52 110.459 177.152 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -80.91 -43.74 19.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.583 -0.735 . . . . 65.23 109.683 -179.761 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 70.7 m -69.41 -15.05 63.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.688 -0.687 . . . . 55.21 111.633 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 45.1 t -67.74 85.46 0.21 Allowed 'General case' 0 C--O 1.236 0.379 0 CA-C-O 121.113 0.483 . . . . 42.34 109.927 178.306 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 31.0 pt -118.53 -168.81 0.47 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.548 0 CA-C-N 115.478 -0.783 . . . . 74.34 110.967 -178.244 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 30.3 m -60.38 153.2 4.82 Favored 'Isoleucine or valine' 0 C--O 1.235 0.317 0 CA-C-N 116.027 -0.533 . . . . 73.51 110.88 177.661 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 35.4 mttm -76.77 -5.66 49.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.265 0.555 . . . . 61.2 110.464 -176.311 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -67.51 -26.12 66.19 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.099 -0.955 . . . . 65.4 110.202 -179.23 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 59.8 m-85 -114.06 145.8 41.09 Favored 'General case' 0 C--O 1.236 0.343 0 N-CA-C 109.043 -0.725 . . . . 61.22 109.043 170.884 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.592 ' HA ' ' NE ' ' A' ' 22' ' ' ARG . 4.9 mmp_? -114.35 108.22 16.61 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.745 0.783 . . . . 74.15 111.901 -177.327 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -153.98 112.27 3.59 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 114.297 -1.319 . . . . 72.32 108.781 177.143 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 58.6 ttt180 -108.56 100.98 10.17 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.924 0.392 . . . . 75.22 110.224 -175.389 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.559 ' HA ' ' HA ' ' A' ' 30' ' ' CYS . 74.2 m -94.41 145.85 24.48 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.829 -0.623 . . . . 73.43 110.481 179.15 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.747 ' HG3' ' HG3' ' A' ' 27' ' ' LYS . 21.5 tpp180 -170.98 144.62 2.18 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.186 -0.672 . . . . 73.12 109.186 177.378 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.747 ' HG3' ' HG3' ' A' ' 26' ' ' ARG . 26.4 mtpp 58.54 32.35 22.04 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 115.912 -0.585 . . . . 75.12 111.268 175.79 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 86.44 -14.17 55.71 Favored Glycine 0 CA--C 1.522 0.477 0 CA-C-N 115.973 -0.558 . . . . 71.4 113.554 178.37 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.452 ' HA ' ' HB3' ' A' ' 8' ' ' PRO . 74.3 m-85 -103.75 168.87 8.86 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 117.247 0.523 . . . . 61.31 110.217 -178.861 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.559 ' HA ' ' HA ' ' A' ' 25' ' ' CYS . 26.5 p -146.01 121.99 10.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.716 0.293 . . . . 71.31 111.733 -177.203 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 45.2 t -90.2 106.83 17.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 N-CA-C 108.951 -0.759 . . . . 71.25 108.951 171.866 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 10.1 ptt180 -111.82 116.22 30.32 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.801 -0.636 . . . . 72.35 110.656 -174.545 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.523 ' HE ' ' HA ' ' A' ' 33' ' ' ARG . 2.1 tpm_? -83.87 113.16 20.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.035 -0.53 . . . . 75.21 109.95 179.317 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 61.2 mtp180 -94.05 118.93 32.21 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.819 0.342 . . . . 63.45 110.82 -179.651 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 45.3 mm -74.3 -23.5 18.43 Favored 'Isoleucine or valine' 0 C--O 1.236 0.373 0 N-CA-C 109.137 -0.69 . . . . 74.43 109.137 173.754 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 84.8 mtm180 . . . . . 0 C--O 1.252 1.198 0 CA-C-N 115.0 -1.0 . . . . 74.55 109.416 177.232 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.037 0 N-CA-C 110.257 -0.275 . . . . 51.55 110.257 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 87.3 m-85 -122.2 116.53 24.32 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 108.743 -0.836 . . . . 61.45 108.743 -179.207 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 27.0 pt -86.27 31.35 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 121.427 0.632 . . . . 71.14 111.147 -174.201 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 57.8 tp60 -104.84 121.51 43.81 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.191 -0.913 . . . . 72.04 109.904 -178.233 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 58.5 tp -71.52 96.72 1.56 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.978 0.418 . . . . 65.04 110.584 -179.765 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.9 m -89.78 137.83 32.0 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.969 -0.56 . . . . 74.24 109.81 174.21 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 16.3 ptpt -82.08 138.48 45.93 Favored Pre-proline 0 C--N 1.326 -0.416 0 CA-C-N 116.356 -0.384 . . . . 74.44 110.085 178.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 64.3 Cg_endo -71.44 -177.6 2.51 Favored 'Trans proline' 0 C--N 1.349 0.562 0 C-N-CA 122.705 2.27 . . . . 75.23 112.793 -176.64 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.557 ' SG ' ' N ' ' A' ' 30' ' ' CYS . 35.1 m -113.86 164.9 13.15 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.548 -0.751 . . . . 72.43 110.204 -178.063 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.458 ' O ' ' SG ' ' A' ' 15' ' ' CYS . 9.6 tp -89.1 168.0 1.6 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.638 0 CA-C-N 116.111 -0.495 . . . . 70.44 110.762 -175.637 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.419 ' N ' HG13 ' A' ' 10' ' ' ILE . 15.8 m -58.11 158.65 6.65 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-O 121.411 0.624 . . . . 60.5 112.511 -178.395 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -56.4 -42.42 77.93 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 115.473 -0.785 . . . . 53.42 112.188 -173.163 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.677 ' HE3' ' HA ' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -61.8 -23.05 65.97 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 120.729 0.3 . . . . 75.52 110.894 -179.347 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 34.2 mm-40 -95.93 -23.55 16.81 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.15 -0.477 . . . . 65.23 110.401 178.34 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.458 ' SG ' ' O ' ' A' ' 10' ' ' ILE . 70.8 m -75.82 -5.38 45.63 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.006 -0.543 . . . . 55.21 110.709 175.408 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 20.2 m -71.77 81.81 0.88 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.032 0.444 . . . . 42.34 110.408 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.505 HG13 ' HG2' ' A' ' 19' ' ' LYS . 8.0 tp -120.37 121.96 66.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.49 . . . . 74.34 109.969 178.355 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 58.3 t -84.5 107.55 15.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.098 -0.501 . . . . 73.51 110.439 -178.278 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.505 ' HG2' HG13 ' A' ' 17' ' ' ILE . 34.6 mmtp -138.5 -171.76 3.13 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-N 115.999 -0.546 . . . . 61.2 109.92 179.456 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -69.15 -12.99 62.16 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-O 121.45 0.643 . . . . 65.4 110.091 177.121 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 93.3 m-85 -125.26 173.88 8.49 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 115.17 -0.923 . . . . 61.22 108.996 172.692 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 11.6 ptt85 -145.61 151.26 37.8 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 110.199 -0.297 . . . . 74.15 110.199 173.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.678 ' HB2' ' HG2' ' A' ' 32' ' ' ARG . . . -118.51 159.3 23.77 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 115.974 -0.557 . . . . 72.32 111.923 -172.748 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 29.8 mmt180 -126.89 126.85 43.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.375 -0.83 . . . . 75.22 108.785 172.603 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.683 ' SG ' ' HB3' ' A' ' 30' ' ' CYS . 64.1 m -115.28 133.85 55.66 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.767 0.318 . . . . 73.43 111.365 -174.386 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 16.2 ptp180 -157.05 141.89 16.92 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 115.742 -0.663 . . . . 73.12 109.941 176.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 46.1 mtmt 51.93 33.11 11.01 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 123.215 0.606 . . . . 75.12 111.678 -179.322 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 75.25 20.14 79.19 Favored Glycine 0 CA--C 1.522 0.517 0 C-N-CA 121.102 -0.57 . . . . 71.4 113.183 178.483 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.446 ' O ' ' HA ' ' A' ' 25' ' ' CYS . 68.9 m-85 -122.74 128.38 50.43 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.901 -0.407 . . . . 61.31 109.901 174.678 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.683 ' HB3' ' SG ' ' A' ' 25' ' ' CYS . 15.0 p -113.21 118.07 33.65 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 110.153 -0.314 . . . . 71.31 110.153 177.749 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 60.1 t -109.65 127.91 66.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.262 -0.426 . . . . 71.25 110.549 -179.47 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.678 ' HG2' ' HB2' ' A' ' 23' ' ' ALA . 78.3 mtt85 -105.24 109.78 21.89 Favored 'General case' 0 C--O 1.236 0.368 0 N-CA-C 109.476 -0.564 . . . . 72.35 109.476 175.891 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -76.3 130.79 38.65 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.664 -0.495 . . . . 75.21 109.664 -178.555 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 9.2 mmm180 -65.76 92.55 0.15 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.14 -0.482 . . . . 63.45 110.707 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 58.6 mt -60.37 -36.6 70.17 Favored 'Isoleucine or valine' 0 C--O 1.235 0.292 0 CA-C-O 121.581 0.705 . . . . 74.43 109.239 172.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.406 HH11 ' HD3' ' A' ' 36' ' ' ARG . 8.9 tpt180 . . . . . 0 C--O 1.25 1.082 0 CA-C-N 114.768 -1.106 . . . . 74.55 108.359 173.324 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.036 0 CA-C-O 120.759 0.314 . . . . 51.55 110.56 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 24.8 p90 -145.99 136.43 24.0 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.54 -0.3 . . . . 61.45 110.193 178.274 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 31.7 pt -87.81 41.29 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 121.055 0.455 . . . . 71.14 112.137 -173.457 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 -78.16 77.66 4.66 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.466 0.651 . . . . 72.04 109.495 175.62 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 58.4 tp -99.22 139.82 34.3 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.353 -0.839 . . . . 65.04 110.899 -176.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.7 t -129.77 164.36 24.22 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.242 -0.651 . . . . 74.24 109.242 175.447 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 48.4 mtmt -117.66 150.01 46.09 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.737 -0.21 . . . . 74.44 110.481 -175.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -61.23 174.09 2.15 Favored 'Trans proline' 0 C--N 1.349 0.571 0 C-N-CA 122.968 2.445 . . . . 75.23 112.338 177.473 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.3 p -123.52 -179.72 4.45 Favored 'General case' 0 C--O 1.237 0.429 0 CA-C-N 116.162 -0.472 . . . . 72.43 111.036 -179.163 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.402 HG22 ' N ' ' A' ' 11' ' ' SER . 14.3 mm -81.75 162.5 3.43 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.418 0 CA-C-N 116.04 -0.527 . . . . 70.44 110.893 -173.743 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.402 ' N ' HG22 ' A' ' 10' ' ' ILE . 38.4 p -66.95 164.54 17.38 Favored 'General case' 0 C--O 1.242 0.709 0 N-CA-C 113.189 0.811 . . . . 60.5 113.189 -173.834 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.898 ' HA ' ' SG ' ' A' ' 15' ' ' CYS . 10.9 p-10 -59.75 -34.19 72.64 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 114.895 -1.048 . . . . 53.42 110.979 -179.669 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 38.4 ttmt -59.21 -21.83 60.1 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 115.825 -0.625 . . . . 75.52 111.066 179.21 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -102.89 -46.78 4.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 65.23 110.515 -176.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.898 ' SG ' ' HA ' ' A' ' 12' ' ' ASP . 6.7 p -70.36 -29.84 66.62 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 116.499 -0.319 . . . . 55.21 111.6 -177.676 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.801 ' HA ' ' HD3' ' A' ' 19' ' ' LYS . 71.1 m -131.72 117.16 18.24 Favored 'General case' 0 CA--C 1.53 0.186 0 CA-C-O 120.756 0.312 . . . . 42.34 111.2 179.558 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 8.9 tt -156.91 116.88 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.264 -0.425 . . . . 74.34 110.199 175.256 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 10.1 m 40.58 29.34 0.11 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.438 0 C-N-CA 124.369 1.068 . . . . 73.51 113.57 177.834 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.801 ' HD3' ' HA ' ' A' ' 16' ' ' SER . 20.1 ptmt -108.46 163.11 13.5 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.631 -0.713 . . . . 61.2 109.931 -179.087 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -80.97 -28.2 35.72 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 120.79 0.329 . . . . 65.4 110.497 -178.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.605 ' HB2' ' HE2' ' A' ' 19' ' ' LYS . 61.6 m-85 -75.85 154.28 36.23 Favored 'General case' 0 C--O 1.233 0.216 0 N-CA-C 109.392 -0.596 . . . . 61.22 109.392 176.728 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 91.1 mtt180 -135.64 116.66 14.29 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.873 0.368 . . . . 74.15 111.643 -169.574 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -137.76 128.8 27.41 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.696 -0.683 . . . . 72.32 110.042 176.638 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 27.5 ttm180 -101.26 100.94 11.52 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.218 0.532 . . . . 75.22 109.832 176.319 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.706 ' SG ' ' SG ' ' A' ' 30' ' ' CYS . 59.4 m -93.82 121.07 34.9 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.474 -0.785 . . . . 73.43 109.73 179.376 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.63 ' HG3' ' HG3' ' A' ' 27' ' ' LYS . 26.2 tpt180 -158.13 144.65 17.54 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.508 -0.314 . . . . 73.12 110.688 -174.582 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.63 ' HG3' ' HG3' ' A' ' 26' ' ' ARG . 95.0 mttt 60.38 32.62 20.69 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 116.092 -0.504 . . . . 75.12 110.937 175.657 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 84.82 -12.99 55.66 Favored Glycine 0 N--CA 1.453 -0.227 0 CA-C-N 115.861 -0.609 . . . . 71.4 112.736 178.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 64.8 m-85 -102.07 172.28 7.0 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.857 -0.423 . . . . 61.31 109.857 -178.036 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.706 ' SG ' ' SG ' ' A' ' 25' ' ' CYS . 74.8 m -144.43 117.92 9.12 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.366 -0.379 . . . . 71.31 110.361 177.475 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 4.9 p -109.21 114.96 48.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 121.313 0.578 . . . . 71.25 110.229 176.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 38.2 ptt180 -114.87 118.34 33.24 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.852 -0.613 . . . . 72.35 109.836 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 10.8 tpt85 -84.97 96.33 9.34 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.998 -0.547 . . . . 75.21 110.25 -173.404 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 45.9 ttt-85 -87.11 98.4 11.27 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.005 -0.739 . . . . 63.45 109.005 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 61.4 mt -56.13 -55.11 20.27 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.328 0 CA-C-N 116.251 -0.431 . . . . 74.43 111.694 -174.584 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 . . . . . 0 C--O 1.254 1.291 0 CA-C-O 118.869 -0.586 . . . . 74.55 109.902 179.63 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.07 0 N-CA-C 110.366 -0.235 . . . . 51.55 110.366 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -104.98 76.15 1.23 Allowed 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 108.754 -0.832 . . . . 61.45 108.754 179.705 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 52.1 mt -89.3 82.97 2.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.462 -0.79 . . . . 71.14 110.699 -174.465 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 16.9 mm100 -109.97 83.39 1.75 Allowed 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.318 -0.623 . . . . 72.04 109.318 172.267 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 84.1 mt -68.95 118.55 12.01 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-N 116.004 -0.544 . . . . 65.04 110.713 -177.335 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.4 m -69.85 138.28 52.43 Favored 'General case' 0 C--O 1.237 0.413 0 N-CA-C 109.442 -0.577 . . . . 74.24 109.442 175.649 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 65.7 pttt -106.89 154.81 40.01 Favored Pre-proline 0 C--O 1.236 0.374 0 CA-C-N 116.608 -0.269 . . . . 74.44 111.1 -176.808 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_exo -68.04 171.04 13.11 Favored 'Trans proline' 0 C--O 1.238 0.488 0 C-N-CA 122.743 2.295 . . . . 75.23 111.17 171.847 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 58.1 m -113.76 -178.59 3.41 Favored 'General case' 0 C--O 1.239 0.521 0 CA-C-O 120.925 0.393 . . . . 72.43 111.024 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.535 HG22 ' H ' ' A' ' 11' ' ' SER . 40.0 mt -71.07 174.76 0.69 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.446 0 N-CA-C 108.562 -0.903 . . . . 70.44 108.562 174.097 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.535 ' H ' HG22 ' A' ' 10' ' ' ILE . 5.8 m -55.38 155.7 5.0 Favored 'General case' 0 C--O 1.24 0.604 0 CA-C-O 121.114 0.483 . . . . 60.5 111.551 -178.55 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -58.36 -31.36 67.55 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 115.738 -0.664 . . . . 53.42 110.838 -175.837 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 52.4 mtpt -62.33 -27.95 69.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.39 -0.823 . . . . 75.52 110.752 179.741 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 34.9 mm-40 -102.0 -20.99 14.58 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.991 -0.55 . . . . 65.23 110.843 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.463 ' SG ' ' O ' ' A' ' 10' ' ' ILE . 98.0 m -60.13 -11.74 6.82 Favored 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 112.458 0.54 . . . . 55.21 112.458 -179.279 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 24.4 p -69.16 81.56 0.34 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.291 0.567 . . . . 42.34 109.807 176.205 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 68.2 mt -98.67 -55.28 6.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.525 -0.761 . . . . 74.34 110.005 179.795 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.709 HG12 ' H ' ' A' ' 20' ' ' ASN . 46.8 t -61.33 136.46 24.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 115.617 -0.719 . . . . 73.51 110.534 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 16.1 tppt? -69.59 -3.27 14.22 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-O 121.249 0.547 . . . . 61.2 111.493 -176.547 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.709 ' H ' HG12 ' A' ' 18' ' ' VAL . 19.8 m120 -97.78 3.11 50.07 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.749 -0.659 . . . . 65.4 109.946 177.296 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 88.4 m-85 53.91 17.77 1.43 Allowed 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 123.678 0.791 . . . . 61.22 112.557 178.321 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 6.9 tpp180 -93.59 85.01 4.76 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-O 121.428 0.632 . . . . 74.15 110.483 -176.756 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -164.23 153.21 13.47 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 114.918 -1.037 . . . . 72.32 109.328 176.198 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.407 HH11 ' HD3' ' A' ' 24' ' ' ARG . 45.5 ttp180 -147.56 132.72 18.34 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.855 0.36 . . . . 75.22 111.172 174.391 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.468 ' HA ' ' O ' ' A' ' 29' ' ' TYR . 81.1 m -118.09 135.14 54.38 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.772 -0.649 . . . . 73.43 110.362 174.565 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 19.3 tpt180 -149.71 136.28 19.24 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.018 -0.734 . . . . 73.12 109.018 179.03 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 60.4 mttp 51.62 32.4 9.1 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 121.419 0.628 . . . . 75.12 109.869 -175.129 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 84.88 -27.42 4.9 Favored Glycine 0 N--CA 1.451 -0.341 0 CA-C-N 115.272 -0.876 . . . . 71.4 113.053 -178.467 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.468 ' O ' ' HA ' ' A' ' 25' ' ' CYS . 8.2 t80 -69.01 146.87 52.35 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 117.088 0.444 . . . . 61.31 110.621 -176.187 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 3.0 m -122.92 137.31 54.98 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.21 -0.45 . . . . 71.31 110.802 -171.814 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 8.1 p -129.19 129.57 67.63 Favored 'Isoleucine or valine' 0 C--O 1.24 0.6 0 N-CA-C 109.98 -0.378 . . . . 71.25 109.98 174.048 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 5.6 ptp180 -129.88 132.75 46.52 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 115.849 -0.614 . . . . 72.35 110.467 -178.055 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 5.3 mmp_? -118.72 105.73 11.86 Favored 'General case' 0 C--O 1.236 0.342 0 N-CA-C 109.859 -0.423 . . . . 75.21 109.859 178.129 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.466 ' HG3' ' O ' ' A' ' 34' ' ' ARG . 13.9 ptm180 -81.97 85.8 6.65 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-O 121.553 0.692 . . . . 63.45 110.151 178.794 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.452 ' O ' HG12 ' A' ' 35' ' ' ILE . 12.9 tt -75.27 33.27 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.543 0.691 0 CA-C-O 121.623 0.725 . . . . 74.43 110.832 178.59 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.422 ' H ' ' C ' ' A' ' 34' ' ' ARG . 12.8 ptm180 . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.718 -0.658 . . . . 74.55 109.555 -174.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.009 0 CA-C-O 120.742 0.306 . . . . 51.55 110.592 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -92.1 67.06 5.02 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 108.859 -0.793 . . . . 61.45 108.859 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 68.2 mt -67.11 128.97 31.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.135 -0.939 . . . . 71.14 110.845 -173.756 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 89.3 mt-30 -126.61 105.23 8.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 72.04 110.171 178.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 91.9 mt -93.76 140.9 29.11 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.306 -0.627 . . . . 65.04 109.306 175.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.3 m -79.54 132.17 36.23 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.02 0.438 . . . . 74.24 110.57 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.449 ' HA ' ' HD3' ' A' ' 8' ' ' PRO . 0.0 OUTLIER -99.5 143.33 26.24 Favored Pre-proline 0 C--N 1.324 -0.536 0 CA-C-N 115.723 -0.672 . . . . 74.44 109.807 -179.021 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.449 ' HD3' ' HA ' ' A' ' 7' ' ' LYS . 21.2 Cg_exo -66.15 166.11 22.11 Favored 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 122.599 2.199 . . . . 75.23 112.048 178.657 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 2.3 p -143.98 -177.21 5.32 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.079 -0.509 . . . . 72.43 110.654 -177.394 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.459 ' CG2' ' HB2' ' A' ' 14' ' ' GLU . 16.9 mt -75.59 160.86 4.96 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.435 0 CA-C-N 116.163 -0.471 . . . . 70.44 110.933 -174.913 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 16.0 p -89.73 177.6 6.48 Favored 'General case' 0 C--O 1.246 0.9 0 N-CA-C 113.143 0.794 . . . . 60.5 113.143 -173.186 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -49.86 -43.31 49.0 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 115.251 -0.886 . . . . 53.42 110.763 -176.839 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.5 tppp? -49.88 -33.31 16.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 114.991 -1.004 . . . . 75.52 111.934 -175.632 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.459 ' HB2' ' CG2' ' A' ' 10' ' ' ILE . 42.0 mt-10 -116.74 -8.95 11.35 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 116.541 -0.299 . . . . 65.23 111.441 -174.217 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 71.5 m -80.96 -11.78 59.51 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 116.51 -0.314 . . . . 55.21 110.774 170.426 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 35.9 m -68.56 85.57 0.3 Allowed 'General case' 0 CA--C 1.535 0.402 0 CA-C-O 120.953 0.406 . . . . 42.34 110.465 178.213 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.681 HG22 ' H ' ' A' ' 19' ' ' LYS . 50.0 mm -121.25 147.85 24.92 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.32 0 CA-C-N 115.831 -0.622 . . . . 74.34 109.953 -179.476 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 60.3 t -58.72 -30.51 42.28 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.335 0 CA-C-O 120.962 0.41 . . . . 73.51 111.326 -179.224 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.681 ' H ' HG22 ' A' ' 17' ' ' ILE . 54.7 mtmt -78.54 -3.72 45.08 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 116.181 -0.463 . . . . 61.2 111.435 -179.04 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 85.0 m-20 -110.0 82.56 1.61 Allowed 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 109.312 -0.625 . . . . 65.4 109.312 178.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 74.0 m-85 -57.18 -31.59 65.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.515 -0.766 . . . . 61.22 111.225 -178.15 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 3.9 tmm_? -156.03 106.56 2.43 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.564 -0.532 . . . . 74.15 109.564 177.087 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -154.21 148.28 25.74 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.0 -0.545 . . . . 72.32 110.365 179.184 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 72.1 mtt85 -144.21 123.77 13.23 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 122.838 0.455 . . . . 75.22 109.829 178.545 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.466 ' SG ' ' SG ' ' A' ' 30' ' ' CYS . 31.9 m -119.37 120.45 36.93 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.469 -0.567 . . . . 73.43 109.469 -179.213 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 15.5 ttm180 -147.84 138.6 23.22 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 121.109 -0.236 . . . . 73.12 111.1 -169.638 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 68.4 mttm 54.97 33.19 19.63 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 115.872 -0.604 . . . . 75.12 111.651 177.534 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 93.02 -15.45 62.83 Favored Glycine 0 CA--C 1.516 0.118 0 CA-C-N 115.87 -0.605 . . . . 71.4 113.096 176.36 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 71.3 m-85 -93.74 150.87 20.04 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 110.092 -0.336 . . . . 61.31 110.092 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.466 ' SG ' ' SG ' ' A' ' 25' ' ' CYS . 84.5 m -124.95 123.3 39.59 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-O 120.904 0.383 . . . . 71.31 110.843 176.846 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 48.9 t -110.24 117.54 54.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.721 -0.672 . . . . 71.25 109.779 177.092 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 30.2 ttm180 -136.94 145.5 44.31 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.06 -0.718 . . . . 72.35 109.06 179.145 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.423 HH11 ' HD2' ' A' ' 33' ' ' ARG . 16.7 tpt180 -68.21 89.41 0.32 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.942 0.401 . . . . 75.21 110.023 179.469 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.419 HH11 ' HD3' ' A' ' 34' ' ' ARG . 14.0 ttm-85 -70.01 91.1 0.66 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.96 -0.564 . . . . 63.45 110.122 179.77 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 68.7 mt -65.72 -43.91 93.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.177 -0.465 . . . . 74.43 110.743 179.762 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 23.3 tpp180 . . . . . 0 C--O 1.25 1.13 0 CA-C-O 118.541 -0.742 . . . . 74.55 109.667 179.695 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 0.978 0 CA-C-O 120.698 0.285 . . . . 51.55 110.305 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -120.14 94.31 4.34 Favored 'General case' 0 C--O 1.236 0.345 0 N-CA-C 109.732 -0.47 . . . . 61.45 109.732 179.247 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 7.3 tp -77.55 122.41 32.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 120.965 0.412 . . . . 71.14 110.279 -178.667 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 19.8 mm-40 -131.78 121.58 24.39 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.229 -0.441 . . . . 72.04 110.332 -179.173 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 91.1 mt -113.96 148.85 36.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.113 -0.494 . . . . 65.04 109.812 178.175 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.9 p -116.22 174.82 5.85 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 116.376 -0.375 . . . . 74.24 110.374 -179.743 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 20.1 ptmt -108.03 101.09 39.67 Favored Pre-proline 0 CA--C 1.533 0.314 0 CA-C-N 116.477 -0.329 . . . . 74.44 110.568 179.368 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 69.8 Cg_endo -85.85 -175.25 1.8 Allowed 'Trans proline' 0 C--O 1.236 0.423 0 C-N-CA 122.932 2.421 . . . . 75.23 112.018 178.36 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.447 ' O ' ' HA2' ' A' ' 28' ' ' GLY . 0.8 OUTLIER -144.66 -175.24 4.58 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.233 -0.44 . . . . 72.43 110.949 -178.173 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.0 pp -86.48 179.74 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 N-CA-C 112.631 0.604 . . . . 70.44 112.631 -174.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 54.9 p -94.91 178.35 5.6 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-N 115.5 -0.773 . . . . 60.5 111.256 -177.616 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.561 ' HA ' ' HB3' ' A' ' 15' ' ' CYS . 27.8 m-20 -50.83 -29.67 12.33 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 115.727 -0.67 . . . . 53.42 111.428 178.517 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 32.9 mmtp -65.05 -7.81 13.61 Favored 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 112.431 0.53 . . . . 75.52 112.431 -175.196 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -130.59 -28.8 2.01 Favored 'General case' 0 N--CA 1.47 0.539 0 N-CA-C 109.279 -0.637 . . . . 65.23 109.279 172.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.69 ' SG ' ' HB1' ' A' ' 23' ' ' ALA . 44.4 t -66.4 -51.72 54.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.321 -0.854 . . . . 55.21 110.514 177.249 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 18.9 t -96.42 83.52 3.55 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-O 121.502 0.668 . . . . 42.34 109.999 -179.366 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.421 HG23 HG13 ' A' ' 18' ' ' VAL . 7.3 tp -131.65 -34.02 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.216 -0.902 . . . . 74.34 109.534 175.338 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.421 HG13 HG23 ' A' ' 17' ' ' ILE . 27.1 m -91.88 140.94 15.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.814 -0.63 . . . . 73.51 110.451 177.835 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 16.9 ptpt -97.93 11.78 36.29 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.881 -0.599 . . . . 61.2 110.184 176.591 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -72.18 -37.4 69.31 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 115.684 -0.689 . . . . 65.4 110.651 179.654 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 43.0 p90 -146.91 176.97 9.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.986 -0.552 . . . . 61.22 110.482 -179.003 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.641 ' HG3' ' HB2' ' A' ' 33' ' ' ARG . 13.4 ptt180 -109.24 102.2 11.16 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.859 -0.61 . . . . 74.15 110.621 -177.006 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.69 ' HB1' ' SG ' ' A' ' 15' ' ' CYS . . . -107.05 123.03 47.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.784 -0.644 . . . . 72.32 110.475 -179.71 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.97 103.17 11.62 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.228 -0.656 . . . . 75.22 109.228 177.291 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.448 ' HA ' ' HA ' ' A' ' 30' ' ' CYS . 59.4 m -121.2 118.43 29.62 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.874 -0.417 . . . . 73.43 109.874 -178.832 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 19.1 tpt180 -143.07 141.53 31.29 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.757 -0.201 . . . . 73.12 110.842 -174.417 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 33.0 mtmm 54.35 33.01 17.53 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 123.337 0.655 . . . . 75.12 112.136 178.408 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.447 ' HA2' ' O ' ' A' ' 9' ' ' CYS . . . 76.34 14.71 82.09 Favored Glycine 0 CA--C 1.517 0.199 0 CA-C-N 116.176 -0.465 . . . . 71.4 113.271 177.166 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 42.0 t80 -124.38 128.05 48.49 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.496 -0.927 . . . . 61.31 108.496 175.381 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.448 ' HA ' ' HA ' ' A' ' 25' ' ' CYS . 4.8 p -120.56 133.44 55.39 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.569 0.581 . . . . 71.31 112.569 -169.879 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 10.1 m -133.3 119.1 34.1 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.249 0 CA-C-N 115.677 -0.692 . . . . 71.25 109.983 172.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 20.1 ptt180 -101.05 118.65 37.41 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 116.253 -0.431 . . . . 72.35 110.181 179.168 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.641 ' HB2' ' HG3' ' A' ' 22' ' ' ARG . 9.1 mmm180 -86.34 139.16 31.23 Favored 'General case' 0 C--O 1.235 0.299 0 N-CA-C 109.395 -0.594 . . . . 75.21 109.395 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 81.9 mtm180 -85.74 159.07 19.86 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.292 0.568 . . . . 63.45 111.904 -175.073 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 64.3 mt -121.56 -45.24 2.25 Favored 'Isoleucine or valine' 0 C--O 1.236 0.36 0 N-CA-C 107.982 -1.118 . . . . 74.43 107.982 171.8 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 49.7 ttt180 . . . . . 0 C--O 1.253 1.252 0 CA-C-N 114.882 -1.054 . . . . 74.55 108.966 168.857 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.093 0 N-CA-C 110.314 -0.254 . . . . 51.55 110.314 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 -88.17 56.14 3.72 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.003 -0.74 . . . . 61.45 109.003 -178.694 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.6 pp -65.49 164.26 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.357 -0.838 . . . . 71.14 111.476 -173.897 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 65.6 tt0 -68.59 103.32 1.67 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.877 -0.601 . . . . 72.04 111.436 -176.01 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 66.6 mt -92.44 -16.11 26.29 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 115.952 -0.567 . . . . 65.04 110.584 175.273 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.0 m -80.04 129.11 34.24 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.513 -0.551 . . . . 74.24 109.513 177.837 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 48.7 mtmt -115.88 151.08 46.02 Favored Pre-proline 0 C--N 1.323 -0.544 0 CA-C-N 116.267 -0.424 . . . . 74.44 111.396 -171.341 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.44 ' HB2' ' O ' ' A' ' 28' ' ' GLY . 85.5 Cg_endo -80.22 -158.9 0.1 OUTLIER 'Trans proline' 0 C--N 1.35 0.654 0 C-N-CA 122.781 2.321 . . . . 75.23 110.95 171.697 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.404 ' HB3' HD13 ' A' ' 10' ' ' ILE . 56.3 m -136.31 -173.72 3.48 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-O 120.627 0.251 . . . . 72.43 110.425 179.633 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.594 HG12 ' SG ' ' A' ' 15' ' ' CYS . 0.2 OUTLIER -55.38 156.11 1.07 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.409 0 CA-C-N 115.932 -0.576 . . . . 70.44 111.22 176.884 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 61.7 p -71.71 174.33 6.95 Favored 'General case' 0 C--O 1.241 0.619 0 N-CA-C 112.562 0.578 . . . . 60.5 112.562 -171.564 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -50.61 -50.04 55.13 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 115.149 -0.932 . . . . 53.42 111.134 -177.78 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 24.2 tptm -61.32 -24.45 66.45 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.475 -0.784 . . . . 75.52 111.398 -177.625 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -94.12 -29.3 15.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.314 -0.403 . . . . 65.23 110.954 -174.623 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.594 ' SG ' HG12 ' A' ' 10' ' ' ILE . 77.9 m -82.18 79.69 8.6 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-O 120.97 0.414 . . . . 55.21 110.576 177.308 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.4 ' O ' ' HB2' ' A' ' 20' ' ' ASN . 40.0 t -95.39 165.3 12.43 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.874 -0.603 . . . . 42.34 110.634 177.642 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 39.8 pt -78.06 1.36 2.35 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.295 0 CA-C-N 116.097 -0.502 . . . . 74.34 111.681 -176.524 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 57.4 t -48.06 -34.22 4.44 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.52 0 CA-C-O 121.002 0.43 . . . . 73.51 111.533 -179.47 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -148.75 6.84 0.73 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.986 -0.552 . . . . 61.2 110.374 175.56 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.49 ' HB3' ' HB3' ' A' ' 23' ' ' ALA . 91.1 m-20 -121.42 74.9 1.14 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.012 -0.54 . . . . 65.4 110.284 -176.645 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 69.1 t80 -74.33 -41.73 60.62 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.26 -0.644 . . . . 61.22 109.26 177.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 65.6 mtt180 -106.79 85.24 2.12 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-N 115.638 -0.71 . . . . 74.15 109.632 175.765 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.49 ' HB3' ' HB3' ' A' ' 20' ' ' ASN . . . -164.14 131.35 3.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.641 -0.709 . . . . 72.32 110.148 179.467 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 40.2 ttt85 -123.66 100.99 7.06 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 110.01 -0.367 . . . . 75.22 110.01 176.563 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.449 ' HA ' ' O ' ' A' ' 29' ' ' TYR . 60.7 m -106.4 116.25 31.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.796 -0.638 . . . . 73.43 109.384 175.199 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 58.2 mtp85 -137.61 130.89 30.79 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.425 -0.583 . . . . 73.12 109.425 174.527 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm 57.9 33.04 22.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.828 -0.624 . . . . 75.12 110.059 -177.684 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.44 ' O ' ' HB2' ' A' ' 8' ' ' PRO . . . 82.89 -15.88 29.85 Favored Glycine 0 C--N 1.331 0.271 0 CA-C-N 115.618 -0.719 . . . . 71.4 113.041 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.449 ' O ' ' HA ' ' A' ' 25' ' ' CYS . 81.3 m-85 -81.32 128.03 33.38 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 117.051 0.426 . . . . 61.31 109.875 -178.763 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 8.7 p -120.13 128.86 53.83 Favored 'General case' 0 C--O 1.238 0.487 0 CA-C-N 115.976 -0.556 . . . . 71.31 111.768 -170.798 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 57.6 t -129.66 121.93 53.87 Favored 'Isoleucine or valine' 0 C--O 1.235 0.315 0 CA-C-N 115.812 -0.631 . . . . 71.25 109.824 174.685 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.408 HH11 ' HD3' ' A' ' 32' ' ' ARG . 9.7 mmm180 -91.91 109.71 21.05 Favored 'General case' 0 C--O 1.233 0.187 0 N-CA-C 109.284 -0.636 . . . . 72.35 109.284 177.366 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.443 ' CZ ' ' HA ' ' A' ' 33' ' ' ARG . 2.5 tpm_? -82.95 86.02 7.05 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.949 0.404 . . . . 75.21 110.769 -175.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 22.4 ptt180 -101.6 168.38 9.52 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 109.353 -0.61 . . . . 63.45 109.353 173.844 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 11.8 tt -62.62 -32.91 57.08 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.508 0 N-CA-C 111.96 0.356 . . . . 74.43 111.96 -173.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 . . . . . 0 C--O 1.248 0.994 0 CA-C-O 118.968 -0.539 . . . . 74.55 109.841 179.96 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.153 0 CA-C-O 120.52 0.2 . . . . 51.55 110.466 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 -125.19 78.72 1.74 Allowed 'General case' 0 CA--C 1.522 -0.129 0 N-CA-C 109.245 -0.65 . . . . 61.45 109.245 -178.387 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 26.3 pt -110.04 165.36 5.74 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.771 0 CA-C-N 116.047 -0.524 . . . . 71.14 110.512 -179.642 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 17.0 mm-40 54.67 50.36 16.05 Favored 'General case' 0 CA--C 1.533 0.299 0 O-C-N 123.589 0.555 . . . . 72.04 111.359 177.36 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.426 HD22 ' H ' ' A' ' 5' ' ' LEU . 3.1 mm? -63.27 103.39 0.49 Allowed 'General case' 0 C--O 1.235 0.329 0 CA-C-N 115.894 -0.593 . . . . 65.04 110.125 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.1 m -108.58 161.11 15.38 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.087 -0.506 . . . . 74.24 110.314 -178.888 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 13.2 mptt -72.56 156.62 90.02 Favored Pre-proline 0 C--O 1.236 0.392 0 CA-C-N 116.311 -0.404 . . . . 74.44 110.482 178.533 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_exo -49.87 167.3 0.21 Allowed 'Trans proline' 0 C--N 1.352 0.737 0 C-N-CA 123.148 2.565 . . . . 75.23 113.712 179.683 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.84 ' SG ' HD13 ' A' ' 10' ' ' ILE . 52.7 t -144.18 -179.95 6.83 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.404 -0.816 . . . . 72.43 109.593 -173.441 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.84 HD13 ' SG ' ' A' ' 9' ' ' CYS . 0.2 OUTLIER -76.76 172.84 1.05 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.292 0 CA-C-O 120.841 0.353 . . . . 70.44 111.265 -176.261 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 20.0 m -91.6 168.48 11.47 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 116.225 -0.443 . . . . 60.5 111.173 -176.894 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.435 ' N ' ' HB2' ' A' ' 25' ' ' CYS . 25.0 t70 -53.23 -50.57 64.48 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 112.747 0.647 . . . . 53.42 112.747 -169.778 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.477 ' NZ ' ' HB3' ' A' ' 13' ' ' LYS . 4.5 mmmp? -55.63 -31.06 61.99 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 116.336 -0.393 . . . . 75.52 110.608 179.4 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -85.69 -32.53 21.89 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.029 -0.532 . . . . 65.23 109.989 -175.738 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.599 ' SG ' HG12 ' A' ' 10' ' ' ILE . 57.4 m -68.71 -27.2 65.73 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 115.99 -0.55 . . . . 55.21 110.537 177.358 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 18.0 m -80.74 96.13 6.84 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.785 -0.643 . . . . 42.34 110.202 179.176 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.649 HG12 HG22 ' A' ' 18' ' ' VAL . 10.2 tt -148.93 123.5 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.362 -0.381 . . . . 74.34 110.592 179.819 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.649 HG22 HG12 ' A' ' 17' ' ' ILE . 24.2 m 37.21 -65.17 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.542 0.65 0 N-CA-C 115.767 1.766 . . . . 73.51 115.767 -177.508 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.551 ' N ' ' O ' ' A' ' 17' ' ' ILE . 0.9 OUTLIER -84.62 89.39 7.46 Favored 'General case' 0 C--N 1.315 -0.919 0 N-CA-C 109.175 -0.676 . . . . 61.2 109.175 176.195 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 56.1 t30 -82.81 75.57 9.7 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-O 121.515 0.674 . . . . 65.4 110.155 -175.411 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 57.5 t80 -64.89 163.2 14.82 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.199 -0.91 . . . . 61.22 109.912 174.503 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 43.7 ttm180 -81.3 88.91 6.05 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.986 -0.552 . . . . 74.15 109.965 -178.127 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -139.97 175.73 9.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.133 0.492 . . . . 72.32 111.524 -175.715 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 49.8 ttm-85 -151.05 139.45 20.41 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.629 -0.878 . . . . 75.22 108.629 171.615 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.463 ' HA ' ' O ' ' A' ' 29' ' ' TYR . 21.5 m -130.07 134.79 47.61 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.726 0.298 . . . . 73.43 110.466 179.7 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.578 ' HG2' ' HG3' ' A' ' 27' ' ' LYS . 68.7 ttt180 -160.39 143.89 13.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.349 -0.387 . . . . 73.12 109.979 -179.394 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.578 ' HG3' ' HG2' ' A' ' 26' ' ' ARG . 48.2 mtmt 57.33 32.47 21.81 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-O 121.148 0.499 . . . . 75.12 111.013 179.351 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 72.58 20.33 79.48 Favored Glycine 0 N--CA 1.451 -0.338 0 CA-C-N 115.819 -0.628 . . . . 71.4 113.241 -179.672 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.463 ' O ' ' HA ' ' A' ' 25' ' ' CYS . 93.4 m-85 -115.33 127.88 55.72 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.749 -0.463 . . . . 61.31 109.749 175.538 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 89.6 m -106.73 118.1 35.8 Favored 'General case' 0 C--O 1.235 0.306 0 N-CA-C 109.723 -0.473 . . . . 71.31 109.723 175.412 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 9.1 p -121.95 136.71 57.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 121.093 0.473 . . . . 71.25 110.996 -179.482 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 94.4 mtt180 -83.87 113.65 21.09 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.861 -0.609 . . . . 72.35 109.43 176.012 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 85.1 mtm180 -80.52 63.55 5.01 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.619 0.724 . . . . 75.21 110.421 -179.61 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 21.5 tpp180 -91.87 84.08 5.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.405 -0.816 . . . . 63.45 110.272 -179.158 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 49.9 mm -89.96 -43.86 14.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 N-CA-C 108.974 -0.751 . . . . 74.43 108.974 172.435 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 . . . . . 0 C--O 1.246 0.892 0 CA-C-N 115.081 -0.963 . . . . 74.55 108.671 176.142 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.93 0 CA-C-O 121.016 0.436 . . . . 51.55 110.872 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 71.1 t80 -152.57 102.81 2.75 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 108.633 -0.877 . . . . 61.45 108.633 178.179 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 10.7 tt -89.31 121.12 39.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 121.106 0.479 . . . . 71.14 111.032 -175.452 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -127.18 141.72 51.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.825 -0.625 . . . . 72.04 109.534 175.399 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 84.1 mt -90.07 174.71 7.49 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.284 -0.416 . . . . 65.04 110.927 -176.306 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.1 t -84.78 149.06 26.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.034 -0.53 . . . . 74.24 109.67 177.84 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.526 ' HD2' ' N ' ' A' ' 7' ' ' LYS . 0.1 OUTLIER -101.56 146.87 32.99 Favored Pre-proline 0 C--N 1.326 -0.436 0 CA-C-N 116.446 -0.343 . . . . 74.44 110.419 -176.02 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_endo -64.06 176.4 2.53 Favored 'Trans proline' 0 C--N 1.352 0.746 0 C-N-CA 122.728 2.285 . . . . 75.23 112.402 178.082 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 28.1 m -123.09 -171.67 2.34 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.735 -0.666 . . . . 72.43 110.683 -173.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.452 HG13 ' SG ' ' A' ' 15' ' ' CYS . 24.6 pt -69.76 157.97 6.31 Favored 'Isoleucine or valine' 0 C--O 1.233 0.235 0 CA-C-N 115.918 -0.583 . . . . 70.44 110.472 173.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 9.2 p -92.61 173.56 7.72 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-O 121.005 0.431 . . . . 60.5 111.742 -176.276 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.518 ' O ' ' HB2' ' A' ' 16' ' ' SER . 11.2 t70 -50.73 -30.65 14.43 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 115.34 -0.845 . . . . 53.42 111.149 -178.739 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 23.1 tptm -48.79 -37.59 19.57 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 115.868 -0.605 . . . . 75.52 111.156 177.795 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 30.9 mm-40 -104.59 -46.91 4.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 65.23 111.003 -179.233 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.452 ' SG ' HG13 ' A' ' 10' ' ' ILE . 4.6 p -97.81 86.35 3.75 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.374 0.607 . . . . 55.21 109.959 -178.343 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.518 ' HB2' ' O ' ' A' ' 12' ' ' ASP . 31.1 t -131.85 -174.89 3.55 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.403 -0.817 . . . . 42.34 110.867 -178.866 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.523 ' O ' HG12 ' A' ' 18' ' ' VAL . 13.3 tt -64.55 148.43 11.84 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.575 0 CA-C-N 115.794 -0.639 . . . . 74.34 112.341 -174.827 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.523 HG12 ' O ' ' A' ' 17' ' ' ILE . 2.8 p 58.32 9.91 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.478 0.934 0 C-N-CA 124.981 1.313 . . . . 73.51 113.362 172.731 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -84.14 164.03 19.43 Favored 'General case' 0 C--N 1.327 -0.382 0 O-C-N 121.963 -0.461 . . . . 61.2 110.347 176.15 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -47.2 -59.97 2.8 Favored 'General case' 0 N--CA 1.465 0.317 0 O-C-N 123.547 0.529 . . . . 65.4 112.282 -172.19 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 6.1 p90 -84.8 129.34 34.83 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.224 0.535 . . . . 61.22 111.085 -175.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 13.9 ttm180 -81.46 93.69 6.68 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 115.398 -0.819 . . . . 74.15 110.084 -175.809 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -149.08 147.19 28.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 72.32 110.701 -179.4 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 22.9 mmt180 -122.76 114.32 20.38 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.682 -0.488 . . . . 75.22 109.682 175.898 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 64.0 m -101.92 145.86 28.65 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.027 -0.533 . . . . 73.43 110.475 -179.372 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 33.7 ttm-85 -145.8 127.29 15.05 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.408 -0.59 . . . . 73.12 109.408 179.815 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 46.6 mmtm 50.93 32.89 7.92 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 116.272 -0.422 . . . . 75.12 111.186 178.812 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 99.9 -27.2 21.36 Favored Glycine 0 CA--C 1.52 0.374 0 CA-C-N 115.793 -0.639 . . . . 71.4 113.532 175.835 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -87.83 139.82 30.14 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 117.619 0.709 . . . . 61.31 110.765 -176.352 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 28.4 p -106.53 128.35 54.04 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-O 120.878 0.37 . . . . 71.31 111.131 -177.851 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 61.6 t -114.49 120.17 63.45 Favored 'Isoleucine or valine' 0 C--O 1.235 0.299 0 CA-C-N 115.767 -0.651 . . . . 71.25 109.286 174.759 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 43.2 mtm180 -116.66 114.9 24.7 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 110.15 -0.315 . . . . 72.35 110.15 -178.559 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 6.6 tpp180 -121.93 88.03 2.86 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.612 -0.514 . . . . 75.21 109.612 177.435 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 44.2 ptt85 -84.54 -4.18 58.82 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 115.819 -0.628 . . . . 63.45 110.388 -179.166 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 56.8 mt -80.16 69.75 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 121.971 0.891 . . . . 74.43 110.103 -175.581 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 30.7 mmm180 . . . . . 0 C--O 1.249 1.058 0 CA-C-N 114.46 -1.245 . . . . 74.55 109.255 172.81 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.094 0 N-CA-C 110.081 -0.34 . . . . 51.55 110.081 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 62.2 t80 -112.63 86.44 2.36 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 108.027 -1.101 . . . . 61.45 108.027 177.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 11.0 tt -110.32 130.12 64.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.583 -0.735 . . . . 71.14 111.865 -171.118 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -148.14 142.52 26.31 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 115.551 -0.749 . . . . 72.04 109.145 171.2 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 94.7 mt -62.43 142.24 57.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.943 -0.571 . . . . 65.04 112.355 -171.69 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.7 t -76.76 153.37 35.04 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 115.676 -0.693 . . . . 74.24 109.722 176.656 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.638 ' HD2' ' N ' ' A' ' 7' ' ' LYS . 0.1 OUTLIER -95.22 148.81 35.26 Favored Pre-proline 0 C--O 1.236 0.362 0 CA-C-N 116.511 -0.313 . . . . 74.44 111.162 -172.95 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.437 ' HD3' ' HA ' ' A' ' 7' ' ' LYS . 13.5 Cg_exo -69.37 -171.49 0.44 Allowed 'Trans proline' 0 C--N 1.355 0.879 0 C-N-CA 123.364 2.709 . . . . 75.23 112.707 -178.564 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 64.4 m -119.76 -172.03 2.25 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.508 -0.769 . . . . 72.43 110.999 -176.463 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 30.4 pt -65.5 177.51 0.32 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.272 0 CA-C-N 116.027 -0.533 . . . . 70.44 111.418 178.771 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 14.4 p -96.78 161.57 13.81 Favored 'General case' 0 C--O 1.242 0.667 0 CA-C-N 116.075 -0.511 . . . . 60.5 111.484 -177.258 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.667 ' HA ' ' SG ' ' A' ' 15' ' ' CYS . 30.8 t70 -56.04 -30.81 62.45 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 115.229 -0.896 . . . . 53.42 111.223 179.686 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 23.3 tptm -59.61 -35.26 73.99 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 116.016 -0.538 . . . . 75.52 110.213 178.579 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 31.8 mm-40 -84.64 -47.28 10.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.883 -0.599 . . . . 65.23 109.86 -178.692 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.667 ' SG ' ' HA ' ' A' ' 12' ' ' ASP . 28.1 p -88.62 48.71 1.67 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.185 0.517 . . . . 55.21 109.766 178.896 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 23.3 t -88.21 -170.4 2.95 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.78 -0.645 . . . . 42.34 110.831 -175.213 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.763 HG12 HG12 ' A' ' 18' ' ' VAL . 11.6 tt -54.26 123.24 4.87 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.338 0 CA-C-N 116.017 -0.538 . . . . 74.34 111.738 -177.588 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.763 HG12 HG12 ' A' ' 17' ' ' ILE . 7.8 p 32.4 91.05 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 C-N-CA 124.802 1.241 . . . . 73.51 114.116 177.644 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 34.0 mmtp -103.03 -172.78 2.17 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 114.935 -1.029 . . . . 61.2 109.166 172.711 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -70.08 -10.33 58.37 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-O 121.192 0.52 . . . . 65.4 110.109 176.541 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 34.4 p90 -132.07 139.35 48.49 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.569 -0.741 . . . . 61.22 109.686 177.325 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 40.8 ttm180 -86.7 99.37 11.71 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.907 -0.405 . . . . 74.15 109.907 -179.668 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -145.26 139.47 27.15 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.262 -0.427 . . . . 72.32 110.655 -178.289 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 31.0 mmt180 -130.88 122.99 28.01 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.263 -0.426 . . . . 75.22 109.963 175.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 37.4 m -88.32 145.93 25.57 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.03 -0.532 . . . . 73.43 110.512 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.408 HH11 ' HD3' ' A' ' 26' ' ' ARG . 14.6 ttm180 -137.27 101.14 4.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.281 -0.418 . . . . 73.12 110.294 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 43.4 mmtm 54.48 40.33 31.73 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 121.229 0.538 . . . . 75.12 111.308 176.324 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 100.25 -23.04 37.42 Favored Glycine 0 N--CA 1.453 -0.205 0 CA-C-N 115.743 -0.662 . . . . 71.4 112.851 178.238 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -80.79 165.72 21.63 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.713 -0.476 . . . . 61.31 109.713 176.598 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 13.8 p -136.35 123.33 21.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.849 0.357 . . . . 71.31 110.793 177.318 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 50.3 t -110.76 119.37 59.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.933 -0.576 . . . . 71.25 109.843 176.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 77.7 mtm180 -115.91 109.7 17.96 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.601 -0.518 . . . . 72.35 109.601 177.64 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.2 tpp180 -105.51 87.26 2.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.965 -0.561 . . . . 75.21 111.223 -172.524 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 21.4 ptt180 -97.6 -4.83 36.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.444 -0.798 . . . . 63.45 109.36 171.613 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 22.3 mt -82.01 64.95 0.39 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.195 0 CA-C-N 115.211 -0.904 . . . . 74.43 109.646 -178.156 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 25.4 mmm180 . . . . . 0 C--O 1.246 0.906 0 CA-C-N 115.626 -0.715 . . . . 74.55 109.836 178.731 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.193 0 CA-C-O 120.912 0.387 . . . . 51.55 110.57 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -125.09 88.55 2.9 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.381 -0.6 . . . . 61.45 109.381 177.319 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 42.2 mm -99.45 85.55 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.929 -0.578 . . . . 71.14 109.514 -179.097 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 31.6 mm-40 -110.71 99.91 8.77 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.046 -0.524 . . . . 72.04 109.836 177.748 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 91.2 mt -95.28 95.77 8.72 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.715 -0.675 . . . . 65.04 110.24 -177.475 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.0 t -86.19 -168.42 2.23 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.607 -0.724 . . . . 74.24 109.437 177.458 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.531 ' NZ ' ' HB2' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -144.54 149.39 43.74 Favored Pre-proline 0 C--N 1.327 -0.383 0 CA-C-O 120.562 0.22 . . . . 74.44 110.839 -179.692 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 7' ' ' LYS . 17.0 Cg_exo -68.8 -176.03 1.11 Allowed 'Trans proline' 0 C--N 1.348 0.533 0 C-N-CA 122.737 2.291 . . . . 75.23 110.674 169.355 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 53.4 m -113.97 171.69 7.44 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.786 0.327 . . . . 72.43 110.556 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.52 ' O ' ' SG ' ' A' ' 15' ' ' CYS . 18.5 tt -62.92 167.86 0.82 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.597 0 CA-C-N 115.598 -0.728 . . . . 70.44 110.849 -177.463 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -56.43 155.43 7.11 Favored 'General case' 0 CA--C 1.543 0.686 0 CA-C-O 121.723 0.773 . . . . 60.5 112.938 -175.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 18.9 p-10 -53.41 -47.09 69.88 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 114.768 -1.105 . . . . 53.42 112.688 -170.87 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 31.5 mtmm -65.38 -23.28 66.93 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.154 -0.476 . . . . 75.52 110.815 -176.431 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -90.22 -31.61 16.94 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.11 -0.496 . . . . 65.23 110.01 -177.219 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.52 ' SG ' ' O ' ' A' ' 10' ' ' ILE . 59.4 m -72.47 -19.38 61.57 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 115.8 -0.636 . . . . 55.21 110.384 174.326 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 38.7 t -74.04 81.2 1.72 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.936 -0.574 . . . . 42.34 110.553 -179.479 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.405 ' H ' HH22 ' A' ' 22' ' ' ARG . 6.9 tp -94.84 134.98 30.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.583 -0.735 . . . . 74.34 109.323 173.251 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 13.4 m -105.5 76.43 0.45 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.339 0 CA-C-O 121.249 0.547 . . . . 73.51 111.497 -176.67 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.41 ' HD3' ' HA ' ' A' ' 19' ' ' LYS . 38.9 mmtm -148.39 56.71 1.05 Allowed 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 115.934 -0.576 . . . . 61.2 110.777 178.166 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 43.5 m-80 73.88 -64.81 0.38 Allowed 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 123.639 0.776 . . . . 65.4 111.664 175.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 7.7 p90 -62.78 137.62 58.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.872 0.368 . . . . 61.22 110.223 -179.7 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.431 ' HA ' ' CZ ' ' A' ' 22' ' ' ARG . 2.5 tpm_? -113.54 97.02 6.18 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.123 0.487 . . . . 74.15 111.93 -174.389 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -96.12 123.29 39.67 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.999 -1.112 . . . . 72.32 107.999 166.34 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.87 116.81 17.68 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.976 0.417 . . . . 75.22 109.929 -176.691 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.642 ' SG ' ' HB3' ' A' ' 30' ' ' CYS . 71.7 m -91.8 113.32 25.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.902 -0.59 . . . . 73.43 110.873 179.281 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 15.4 ptt180 -112.71 121.15 43.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.914 -0.584 . . . . 73.12 109.831 176.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 56.2 mtpt 56.5 32.91 21.64 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 116.071 -0.513 . . . . 75.12 110.921 178.274 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 92.1 -23.26 27.66 Favored Glycine 0 C--N 1.334 0.42 0 CA-C-N 115.935 -0.575 . . . . 71.4 112.504 179.139 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 95.7 m-85 -89.8 128.02 36.07 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 109.989 -0.374 . . . . 61.31 109.989 -178.265 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.642 ' HB3' ' SG ' ' A' ' 25' ' ' CYS . 1.8 p -106.7 129.17 54.64 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.346 -0.388 . . . . 71.31 111.298 -171.688 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 34.8 m -108.81 141.17 24.79 Favored 'Isoleucine or valine' 0 C--O 1.236 0.351 0 CA-C-N 116.011 -0.54 . . . . 71.25 110.23 176.106 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 13.2 ptt180 -114.1 109.59 18.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.208 0.528 . . . . 72.35 110.324 179.635 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.469 ' HD2' ' OXT' ' A' ' 36' ' ' ARG . 31.3 mmt180 -95.18 136.07 35.97 Favored 'General case' 0 C--O 1.237 0.429 0 CA-C-N 115.658 -0.701 . . . . 75.21 110.779 -177.174 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.464 ' HG3' ' H ' ' A' ' 35' ' ' ILE . 29.4 ptt180 -157.57 -58.57 0.08 Allowed 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 116.434 -0.348 . . . . 63.45 111.418 -179.019 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.464 ' H ' ' HG3' ' A' ' 34' ' ' ARG . 3.9 tp -81.39 -33.16 12.37 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.5 0 N-CA-C 108.619 -0.882 . . . . 74.43 108.619 174.691 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.469 ' OXT' ' HD2' ' A' ' 33' ' ' ARG . 31.8 ttm180 . . . . . 0 C--O 1.252 1.219 0 CA-C-N 114.274 -1.33 . . . . 74.55 107.53 171.621 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.078 0 N-CA-C 110.057 -0.349 . . . . 51.55 110.057 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 61.5 m-85 -89.02 60.69 5.54 Favored 'General case' 0 C--O 1.233 0.211 0 N-CA-C 108.746 -0.835 . . . . 61.45 108.746 -177.204 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 32.0 pt -72.33 140.12 18.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.104 -0.953 . . . . 71.14 111.373 -173.613 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 52.0 mt-30 -123.99 128.79 49.9 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.855 -0.611 . . . . 72.04 109.886 178.628 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 46.1 tp -96.11 102.9 14.75 Favored 'General case' 0 C--O 1.237 0.428 0 N-CA-C 109.649 -0.5 . . . . 65.04 109.649 176.83 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.408 ' O ' ' HD3' ' A' ' 8' ' ' PRO . 32.3 t -74.34 154.3 38.93 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.846 -0.615 . . . . 74.24 110.162 -177.87 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 56.8 tptt -101.27 103.64 27.73 Favored Pre-proline 0 C--O 1.236 0.368 0 CA-C-N 116.295 -0.411 . . . . 74.44 110.337 178.206 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.408 ' HD3' ' O ' ' A' ' 6' ' ' SER . 61.0 Cg_endo -91.86 -169.18 0.26 Allowed 'Trans proline' 0 N--CA 1.457 -0.649 0 C-N-CA 122.971 2.447 . . . . 75.23 111.43 174.84 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 97.0 m -146.77 158.76 43.99 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.207 -0.451 . . . . 72.43 110.349 177.828 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.421 HG22 ' N ' ' A' ' 11' ' ' SER . 26.8 mm -87.34 165.96 2.02 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.315 0 N-CA-C 108.954 -0.758 . . . . 70.44 108.954 177.844 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.421 ' N ' HG22 ' A' ' 10' ' ' ILE . 32.4 p -55.65 168.42 0.42 Allowed 'General case' 0 C--O 1.243 0.756 0 CA-C-O 121.834 0.826 . . . . 60.5 112.912 -174.55 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -55.36 -31.06 61.45 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 114.959 -1.018 . . . . 53.42 110.86 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.457 ' NZ ' ' HB3' ' A' ' 13' ' ' LYS . 8.3 mtpm? -57.46 -34.34 68.9 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 115.737 -0.665 . . . . 75.52 111.291 177.814 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.2 tp10 -88.84 -42.21 12.01 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 115.977 -0.556 . . . . 65.23 110.263 -179.556 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 90.5 m -60.41 -31.01 69.98 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 116.037 -0.529 . . . . 55.21 111.379 -179.535 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 11.3 p -70.65 93.28 0.91 Allowed 'General case' 0 C--O 1.235 0.328 0 CA-C-O 121.068 0.461 . . . . 42.34 110.421 177.544 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 9.8 tp -130.94 160.05 42.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.612 -0.722 . . . . 74.34 109.246 -179.814 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.563 HG12 ' HG2' ' A' ' 19' ' ' LYS . 48.4 t -56.3 136.65 18.83 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.335 0 O-C-N 123.228 0.33 . . . . 73.51 111.385 -177.55 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.563 ' HG2' HG12 ' A' ' 18' ' ' VAL . 13.7 mmmm 59.87 38.95 20.96 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 115.611 -0.722 . . . . 61.2 111.928 -179.511 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 58.8 t30 -137.66 101.92 4.61 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 108.742 -0.836 . . . . 65.4 108.742 177.029 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 84.9 m-85 -52.62 171.38 0.06 Allowed 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 114.564 -1.198 . . . . 61.22 111.704 179.15 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 21.0 mmm180 -81.31 114.73 20.29 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.559 0.695 . . . . 74.15 112.71 -168.094 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -123.86 144.5 49.71 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 114.526 -1.216 . . . . 72.32 108.369 174.412 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.49 100.94 13.13 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.956 0.407 . . . . 75.22 109.979 -171.313 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 39.9 m -104.29 128.25 52.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.733 -0.667 . . . . 73.43 110.018 177.89 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.529 ' HG2' ' HG3' ' A' ' 27' ' ' LYS . 65.2 ttt180 -168.43 145.09 3.85 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 116.37 -0.377 . . . . 73.12 110.099 -177.462 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.529 ' HG3' ' HG2' ' A' ' 26' ' ' ARG . 54.2 mtpt 62.4 32.9 16.63 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 122.928 0.491 . . . . 75.12 110.942 177.105 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 78.53 -0.97 73.95 Favored Glycine 0 CA--C 1.519 0.282 0 CA-C-N 115.878 -0.601 . . . . 71.4 112.959 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -106.46 157.89 17.31 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.755 0.312 . . . . 61.31 110.287 179.753 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 4.9 p -135.99 117.71 15.02 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-N 116.131 -0.486 . . . . 71.31 110.03 178.231 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 59.3 t -112.25 122.58 66.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.259 -0.428 . . . . 71.25 110.659 -177.12 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.489 ' HD3' ' N ' ' A' ' 32' ' ' ARG . 0.5 OUTLIER -93.9 118.78 31.94 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.033 -0.729 . . . . 72.35 109.033 176.513 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 33.9 mtp-105 -58.3 133.61 55.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.075 -0.511 . . . . 75.21 110.819 -176.38 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 6.8 ptm180 -87.44 152.08 22.53 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.968 -0.56 . . . . 63.45 110.402 -177.718 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 13.0 tt -54.35 -37.04 35.76 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.432 0 C-N-CA 122.978 0.511 . . . . 74.43 111.879 -177.737 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 54.5 mtp180 . . . . . 0 C--O 1.246 0.871 0 CA-C-O 118.538 -0.744 . . . . 74.55 109.713 -179.384 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.029 0 N-CA-C 110.499 -0.186 . . . . 51.55 110.499 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -136.0 72.97 1.44 Allowed 'General case' 0 C--O 1.233 0.229 0 CA-C-O 121.16 0.505 . . . . 61.45 109.692 178.592 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 31.1 pt -75.44 156.31 6.04 Favored 'Isoleucine or valine' 0 C--O 1.236 0.355 0 CA-C-N 115.638 -0.71 . . . . 71.14 110.69 -178.887 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -111.71 131.74 55.1 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.062 -0.517 . . . . 72.04 109.714 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.435 ' H ' HD23 ' A' ' 5' ' ' LEU . 2.5 pt? -82.42 143.77 30.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.02 0.438 . . . . 65.04 111.203 -176.422 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 44.4 m -113.91 139.81 48.89 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 108.93 -0.767 . . . . 74.24 108.93 175.002 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.565 ' H ' ' HD3' ' A' ' 7' ' ' LYS . 0.2 OUTLIER -134.69 158.63 74.63 Favored Pre-proline 0 C--N 1.327 -0.384 0 N-CA-C 110.12 -0.326 . . . . 74.44 110.12 -175.661 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 61.8 Cg_endo -72.51 -168.2 0.38 Allowed 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 122.352 2.035 . . . . 75.23 111.905 176.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 92.3 m -114.12 -171.92 2.0 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.209 -0.451 . . . . 72.43 110.337 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.44 HD13 ' HB3' ' A' ' 14' ' ' GLU . 1.6 pp -76.32 179.03 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.922 -0.581 . . . . 70.44 111.681 178.276 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 14.0 m -72.81 158.65 35.15 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-N 115.984 -0.553 . . . . 60.5 111.55 -176.555 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -56.17 -37.22 69.27 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 116.023 -0.535 . . . . 53.42 111.142 -176.433 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 46.6 mmtm -61.16 -29.86 70.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.972 -0.558 . . . . 75.52 110.118 178.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.44 ' HB3' HD13 ' A' ' 10' ' ' ILE . 6.7 tp10 -89.15 -22.34 22.88 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 115.667 -0.697 . . . . 65.23 109.884 178.421 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 65.9 m -71.91 10.37 0.72 Allowed 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 116.022 -0.535 . . . . 55.21 111.772 177.449 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 29.2 t -68.25 81.71 0.24 Allowed 'General case' 0 CA--C 1.533 0.315 0 CA-C-O 121.05 0.452 . . . . 42.34 110.436 179.427 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 66.5 mt -91.6 116.89 33.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.831 -0.622 . . . . 74.34 109.678 177.568 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 25.3 t -82.53 73.4 0.82 Allowed 'Isoleucine or valine' 0 C--O 1.238 0.468 0 CA-C-O 121.492 0.663 . . . . 73.51 110.41 -179.08 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -141.94 179.16 7.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.128 -0.942 . . . . 61.2 109.458 177.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -77.06 -25.59 52.58 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.735 -0.469 . . . . 65.4 109.735 176.839 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 96.0 m-85 -75.99 137.82 40.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.668 -0.696 . . . . 61.22 109.861 176.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 15.6 tpp180 -128.39 133.0 48.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.475 -0.329 . . . . 74.15 110.174 -178.467 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -114.74 172.49 7.0 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.306 -0.406 . . . . 72.32 110.785 -179.04 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 40.2 mmm-85 -122.89 127.89 49.58 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.136 -0.69 . . . . 75.22 109.136 178.877 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 67.6 m -125.28 134.08 52.42 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.769 0.319 . . . . 73.43 110.585 179.452 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 55.7 ttt180 -158.11 133.12 8.57 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.505 -0.554 . . . . 73.12 109.505 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.568 ' NZ ' ' HB3' ' A' ' 27' ' ' LYS . 3.2 mmmp? 54.98 32.34 17.87 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-O 121.172 0.51 . . . . 75.12 110.098 -176.732 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 77.9 -19.33 4.34 Favored Glycine 0 CA--C 1.522 0.504 0 CA-C-N 115.82 -0.627 . . . . 71.4 112.72 -177.341 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 7.9 t80 -68.14 134.27 50.27 Favored 'General case' 0 C--O 1.236 0.382 0 O-C-N 122.483 -0.422 . . . . 61.31 110.342 -179.454 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.1 p -111.24 118.69 36.61 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.053 -0.521 . . . . 71.31 110.956 -176.545 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 61.7 t -113.74 139.95 36.69 Favored 'Isoleucine or valine' 0 C--O 1.233 0.232 0 CA-C-N 115.633 -0.712 . . . . 71.25 109.569 178.027 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.483 ' HG3' ' HB3' ' A' ' 34' ' ' ARG . 28.5 ptt180 -140.31 146.46 38.54 Favored 'General case' 0 C--O 1.235 0.336 0 N-CA-C 110.353 -0.24 . . . . 72.35 110.353 -177.679 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.463 ' HG3' ' O ' ' A' ' 33' ' ' ARG . 32.0 ptt85 -75.28 91.58 2.69 Favored 'General case' 0 CA--C 1.53 0.203 0 N-CA-C 108.708 -0.849 . . . . 75.21 108.708 171.637 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.483 ' HB3' ' HG3' ' A' ' 32' ' ' ARG . 32.6 ptt180 -102.34 144.83 30.33 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.826 -0.625 . . . . 63.45 111.959 -170.313 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.541 HG23 ' HG3' ' A' ' 36' ' ' ARG . 5.2 tp -98.06 -20.42 5.6 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.99 0 N-CA-C 108.222 -1.029 . . . . 74.43 108.222 165.491 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.541 ' HG3' HG23 ' A' ' 35' ' ' ILE . 18.7 mtp180 . . . . . 0 C--O 1.247 0.924 0 CA-C-N 114.602 -1.181 . . . . 74.55 109.481 179.75 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.09 0 N-CA-C 110.451 -0.203 . . . . 51.55 110.451 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 99.7 m-85 -130.51 104.67 7.37 Favored 'General case' 0 C--O 1.235 0.336 0 N-CA-C 109.705 -0.48 . . . . 61.45 109.705 -179.745 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 61.9 mt -76.42 90.87 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 120.999 0.428 . . . . 71.14 109.994 178.53 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.466 ' H ' ' CD ' ' A' ' 4' ' ' GLN . 0.0 OUTLIER -71.49 86.85 0.87 Allowed 'General case' 0 CA--C 1.531 0.244 0 CA-C-O 121.604 0.716 . . . . 72.04 110.093 178.329 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.0 tt -74.69 117.22 16.28 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.322 -0.854 . . . . 65.04 110.152 -178.654 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.1 m -150.26 131.84 14.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.875 -0.602 . . . . 74.24 109.665 175.013 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.48 ' O ' ' SG ' ' A' ' 30' ' ' CYS . 67.0 mttm -118.54 124.2 28.66 Favored Pre-proline 0 C--N 1.32 -0.677 0 CA-C-N 115.755 -0.657 . . . . 74.44 110.034 -175.824 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.558 ' HA ' ' O ' ' A' ' 28' ' ' GLY . 15.5 Cg_endo -56.26 126.76 23.41 Favored 'Trans proline' 0 C--N 1.352 0.746 0 C-N-CA 122.685 2.256 . . . . 75.23 111.587 -179.17 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.669 ' SG ' ' SG ' ' A' ' 25' ' ' CYS . 19.8 p -122.08 170.8 9.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.983 0.42 . . . . 72.43 111.471 -177.134 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.621 HG22 ' H ' ' A' ' 11' ' ' SER . 6.2 mm -87.09 177.25 0.61 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.613 0 CA-C-N 115.848 -0.615 . . . . 70.44 110.033 -174.779 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.621 ' H ' HG22 ' A' ' 10' ' ' ILE . 13.8 m -55.38 162.57 1.48 Allowed 'General case' 0 CA--C 1.538 0.482 0 N-CA-C 112.554 0.575 . . . . 60.5 112.554 -176.42 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -54.94 -35.25 64.03 Favored 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 112.798 0.666 . . . . 53.42 112.798 -172.708 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.41 ' HE2' ' HB3' ' A' ' 13' ' ' LYS . 16.8 ptpt -61.24 -22.81 65.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.806 0.336 . . . . 75.52 111.261 179.816 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 25.8 mm-40 -92.49 -40.31 10.9 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.306 -0.627 . . . . 65.23 109.306 174.201 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.499 ' HB2' ' HB2' ' A' ' 25' ' ' CYS . 34.3 t -51.81 -54.36 29.78 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 114.685 -1.143 . . . . 55.21 111.094 -178.522 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.521 ' HB3' ' HB3' ' A' ' 23' ' ' ALA . 35.4 p -120.14 89.13 3.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.026 -0.534 . . . . 42.34 110.714 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 10.1 tt -122.0 -42.8 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.876 -0.602 . . . . 74.34 109.587 173.541 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.7 p -79.12 -39.3 21.19 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.187 0 CA-C-N 115.959 -0.564 . . . . 73.51 110.532 177.893 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 54.8 mtmt -135.81 102.72 5.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.798 -0.637 . . . . 61.2 109.936 179.645 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.516 ' HA ' ' HB2' ' A' ' 16' ' ' SER . 2.4 p-10 -104.3 80.18 1.68 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.332 0.587 . . . . 65.4 110.773 -178.243 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 5.1 p90 -113.79 -68.18 0.94 Allowed 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 115.54 -0.755 . . . . 61.22 109.779 176.087 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 69.3 mtp180 -151.21 85.41 1.33 Allowed 'General case' 0 C--O 1.235 0.33 0 N-CA-C 109.604 -0.517 . . . . 74.15 109.604 176.685 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.521 ' HB3' ' HB3' ' A' ' 16' ' ' SER . . . -142.02 118.68 11.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.791 -0.641 . . . . 72.32 109.67 179.073 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 78.5 mtp180 -125.6 100.93 6.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.031 0.444 . . . . 75.22 110.289 -177.243 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.669 ' SG ' ' SG ' ' A' ' 9' ' ' CYS . 63.0 m -113.49 143.35 44.67 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 108.843 -0.799 . . . . 73.43 108.843 175.491 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 20.6 ttt180 -170.87 126.87 0.72 Allowed 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.935 -0.306 . . . . 73.12 111.321 -172.201 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 52.3 mttm 54.98 34.94 23.49 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 115.83 -0.623 . . . . 75.12 112.046 177.367 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.558 ' O ' ' HA ' ' A' ' 8' ' ' PRO . . . 94.05 -24.83 24.9 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.99 -0.624 . . . . 71.4 112.093 179.142 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 44.5 m-85 -76.66 152.61 35.73 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 110.132 -0.322 . . . . 61.31 110.132 -178.333 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.48 ' SG ' ' O ' ' A' ' 7' ' ' LYS . 31.0 m -134.07 129.7 36.4 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 116.243 -0.435 . . . . 71.31 111.003 -174.298 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 48.5 t -132.58 114.32 22.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.043 -0.526 . . . . 71.25 109.683 173.462 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.3 tmm_? -141.84 113.28 7.67 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 107.87 -1.159 . . . . 72.35 107.87 178.769 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.475 ' HG2' ' H ' ' A' ' 34' ' ' ARG . 11.0 ttt180 -134.11 -168.6 2.16 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.049 0.452 . . . . 75.21 111.176 -170.407 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.475 ' H ' ' HG2' ' A' ' 33' ' ' ARG . 26.8 ptt180 -103.74 -165.97 1.21 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.176 -0.92 . . . . 63.45 110.251 -177.539 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 13.6 tt -53.63 -23.85 8.59 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.504 0 C-N-CA 123.501 0.721 . . . . 74.43 112.129 179.453 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.552 ' NE ' ' HA ' ' A' ' 36' ' ' ARG . 2.8 mmp_? . . . . . 0 C--O 1.246 0.898 0 CA-C-O 118.245 -0.883 . . . . 74.55 110.13 178.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.488 ' HB1' HD13 ' A' ' 3' ' ' ILE . . . . . . . . 0 N--CA 1.481 1.105 0 N-CA-C 110.234 -0.284 . . . . 51.55 110.234 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -109.69 23.7 14.06 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 120.703 0.287 . . . . 61.45 111.218 -175.004 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.488 HD13 ' HB1' ' A' ' 1' ' ' ALA . 2.0 mp -72.04 108.04 3.3 Favored 'Isoleucine or valine' 0 C--O 1.236 0.361 0 N-CA-C 110.015 -0.365 . . . . 71.14 110.015 178.185 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -89.05 160.65 16.97 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.257 -0.429 . . . . 72.04 109.914 177.322 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.408 HD22 ' N ' ' A' ' 5' ' ' LEU . 3.4 mm? -75.32 117.81 17.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.451 -0.34 . . . . 65.04 110.33 -178.669 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.2 m -57.96 147.89 27.62 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-N 116.151 -0.477 . . . . 74.24 110.929 178.868 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 26.7 mtpp -117.52 96.43 49.34 Favored Pre-proline 0 C--N 1.331 -0.197 0 CA-C-N 116.105 -0.498 . . . . 74.44 111.265 179.375 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_endo -80.74 -166.19 0.39 Allowed 'Trans proline' 0 N--CA 1.461 -0.392 0 C-N-CA 122.84 2.36 . . . . 75.23 110.249 169.314 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.423 ' SG ' ' N ' ' A' ' 10' ' ' ILE . 51.7 t -113.94 -178.36 3.35 Favored 'General case' 0 C--N 1.313 -0.988 0 N-CA-C 108.564 -0.902 . . . . 72.43 108.564 178.13 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.748 HD13 ' HG2' ' A' ' 14' ' ' GLU . 12.8 tt -98.86 161.06 3.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 C-N-CA 120.648 -0.421 . . . . 70.44 110.523 -176.567 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 15.5 m -56.6 155.75 7.07 Favored 'General case' 0 CA--C 1.535 0.396 0 N-CA-C 113.095 0.776 . . . . 60.5 113.095 -171.537 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.424 ' HA ' ' SG ' ' A' ' 15' ' ' CYS . 4.6 p-10 -53.43 -41.28 65.91 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 115.0 -1.0 . . . . 53.42 111.605 -179.576 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 17.5 ttpp -55.24 -34.81 64.32 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.285 0.564 . . . . 75.52 110.709 177.716 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.748 ' HG2' HD13 ' A' ' 10' ' ' ILE . 17.1 tp10 -94.6 -13.91 25.49 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.685 -0.689 . . . . 65.23 110.042 -176.869 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.424 ' SG ' ' HA ' ' A' ' 12' ' ' ASP . 72.0 m -70.07 -51.43 31.95 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 116.091 -0.504 . . . . 55.21 110.402 172.362 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 15.8 m -102.89 91.73 4.27 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 116.025 -0.534 . . . . 42.34 111.177 -176.581 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.496 ' N ' HD12 ' A' ' 17' ' ' ILE . 3.4 mp -90.8 70.47 0.7 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.153 0 N-CA-C 108.952 -0.759 . . . . 74.34 108.952 178.232 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 9.7 m 40.72 24.84 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.416 0 C-N-CA 124.343 1.057 . . . . 73.51 112.904 -175.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.0 tppp? -98.15 152.45 19.34 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.669 -0.696 . . . . 61.2 110.285 -176.104 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 57.9 t30 -77.32 67.16 3.22 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-O 121.423 0.63 . . . . 65.4 111.056 179.697 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 49.0 m-85 -147.38 152.66 38.53 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 108.552 -0.907 . . . . 61.22 108.552 174.392 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 38.3 ttm180 -142.74 129.94 20.93 Favored 'General case' 0 C--O 1.238 0.454 0 CA-C-O 121.275 0.56 . . . . 74.15 111.398 -176.893 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -149.31 155.07 39.96 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 114.912 -1.04 . . . . 72.32 108.379 176.102 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 70.8 ttt180 -95.02 102.6 14.42 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.811 0.339 . . . . 75.22 110.334 -176.839 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.478 ' SG ' ' SG ' ' A' ' 30' ' ' CYS . 32.0 m -102.78 113.36 26.72 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.84 -0.618 . . . . 73.43 109.766 177.411 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.439 ' NH1' ' HD1' ' A' ' 29' ' ' TYR . 2.4 tmm_? -134.28 126.09 29.04 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.87 -0.418 . . . . 73.12 109.87 -177.742 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 53.3 mtpt 55.76 32.88 20.34 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 123.17 0.588 . . . . 75.12 110.91 -175.493 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 78.9 0.42 81.61 Favored Glycine 0 C--O 1.224 -0.473 0 CA-C-N 115.871 -0.604 . . . . 71.4 113.179 178.172 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.439 ' HD1' ' NH1' ' A' ' 26' ' ' ARG . 25.5 m-85 -94.68 127.95 41.02 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 108.001 -1.111 . . . . 61.31 108.001 174.865 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.478 ' SG ' ' SG ' ' A' ' 25' ' ' CYS . 83.7 m -108.67 129.48 55.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.79 0.329 . . . . 71.31 111.004 -177.381 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 16.8 m -134.76 120.53 31.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 N-CA-C 109.477 -0.564 . . . . 71.25 109.477 174.358 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.4 HH11 ' HD3' ' A' ' 32' ' ' ARG . 33.7 ttt180 -81.65 109.67 16.29 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 110.027 -0.36 . . . . 72.35 110.027 -178.856 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -119.86 89.04 3.05 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.733 -0.84 . . . . 75.21 108.733 177.467 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.457 ' H ' ' HD3' ' A' ' 34' ' ' ARG . 0.0 OUTLIER -81.51 154.76 26.13 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.015 -0.735 . . . . 63.45 109.015 177.203 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 64.0 mt -51.08 -52.75 17.09 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.266 0 O-C-N 123.435 0.459 . . . . 74.43 111.138 -175.767 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.409 HH11 ' HD3' ' A' ' 36' ' ' ARG . 11.7 ptp180 . . . . . 0 C--O 1.25 1.088 0 CA-C-O 118.911 -0.566 . . . . 74.55 109.5 178.526 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.421 ' HA ' ' HD3' ' A' ' 8' ' ' PRO . 18.1 ptpt . . . . . 0 C--O 1.233 0.187 0 N-CA-C 110.356 -0.238 . . . . 74.44 110.356 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 7' ' ' LYS . 24.3 Cg_exo -64.86 -178.18 0.7 Allowed 'Trans proline' 0 C--N 1.35 0.609 0 C-N-CA 123.083 2.522 . . . . 75.23 113.155 -178.251 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.409 ' HB3' HD13 ' A' ' 10' ' ' ILE . 97.0 m -113.76 -179.34 3.61 Favored 'General case' 0 C--O 1.238 0.452 0 CA-C-N 115.919 -0.582 . . . . 72.43 110.768 178.702 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.56 HG12 ' SG ' ' A' ' 15' ' ' CYS . 0.2 OUTLIER -57.32 164.35 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.392 0 CA-C-N 116.035 -0.53 . . . . 70.44 111.747 178.387 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 14.8 m -70.58 160.19 32.96 Favored 'General case' 0 C--O 1.239 0.544 0 CA-C-N 115.729 -0.669 . . . . 60.5 111.569 -176.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -55.25 -35.03 64.55 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 115.775 -0.648 . . . . 53.42 110.767 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 51.5 mtpt -54.05 -38.6 65.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.523 -0.762 . . . . 75.52 110.655 176.51 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -89.78 -25.12 21.27 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.468 -0.787 . . . . 65.23 110.168 -176.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.56 ' SG ' HG12 ' A' ' 10' ' ' ILE . 36.9 m -79.95 9.29 5.55 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 115.89 -0.595 . . . . 55.21 111.48 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 48.9 m -102.87 177.33 4.87 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-O 120.77 0.319 . . . . 42.34 111.11 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 33.7 pt -66.22 -1.19 1.04 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.403 0 CA-C-N 116.117 -0.492 . . . . 74.34 112.255 -172.109 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 38.9 t -55.99 -36.08 43.27 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.239 0 CA-C-O 121.283 0.563 . . . . 73.51 109.89 173.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -101.25 12.07 38.19 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 115.481 -0.781 . . . . 61.2 111.091 179.402 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 77.88 -8.11 1.72 Allowed 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 123.649 0.78 . . . . 65.4 111.527 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 90.4 m-85 -94.13 173.22 7.76 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.421 -0.354 . . . . 61.22 110.979 178.643 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 11.3 ptt180 -153.58 98.92 2.27 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-O 121.46 0.648 . . . . 74.15 110.754 -179.134 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -137.49 163.9 30.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.837 -0.619 . . . . 72.32 110.038 179.002 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 53.6 ttt180 -103.91 112.13 24.97 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.357 -0.609 . . . . 75.22 109.357 178.659 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.446 ' HA ' ' O ' ' A' ' 29' ' ' TYR . 70.9 m -117.37 118.51 32.43 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.26 0.553 . . . . 73.43 110.152 -178.625 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 57.5 ttt180 -135.32 117.36 15.34 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.57 -0.741 . . . . 73.12 110.087 -175.202 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt 56.33 32.97 21.47 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 121.365 0.602 . . . . 75.12 110.526 -178.268 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 91.31 -20.95 37.48 Favored Glycine 0 N--CA 1.45 -0.381 0 CA-C-N 115.393 -0.821 . . . . 71.4 112.615 178.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.446 ' O ' ' HA ' ' A' ' 25' ' ' CYS . 4.3 t80 -71.4 128.04 34.55 Favored 'General case' 0 C--N 1.333 -0.151 0 N-CA-C 109.036 -0.727 . . . . 61.31 109.036 -179.406 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.2 p -115.39 118.34 32.95 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.924 0.393 . . . . 71.31 111.233 -174.335 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 18.2 m -135.9 128.87 47.1 Favored 'Isoleucine or valine' 0 C--O 1.233 0.225 0 CA-C-N 116.028 -0.533 . . . . 71.25 110.379 178.48 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 3.4 tmm_? -87.2 109.81 19.73 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 108.262 -1.014 . . . . 72.35 108.262 175.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 30.0 mmm180 . . . . . 0 C--N 1.325 -0.468 0 CA-C-N 115.969 -0.559 . . . . 75.21 111.688 -171.726 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.453 ' NZ ' ' HB3' ' A' ' 7' ' ' LYS . 6.3 ttpm? . . . . . 0 N--CA 1.456 -0.15 0 N-CA-C 110.534 -0.173 . . . . 74.44 110.534 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 81.9 Cg_endo -85.19 -169.7 0.66 Allowed 'Trans proline' 0 N--CA 1.456 -0.678 0 C-N-CA 122.577 2.184 . . . . 75.23 111.506 173.589 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.427 ' SG ' ' N ' ' A' ' 30' ' ' CYS . 32.7 m -113.61 -171.45 1.89 Allowed 'General case' 0 C--N 1.317 -0.808 0 N-CA-C 108.284 -1.006 . . . . 72.43 108.284 176.555 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.662 ' HB ' ' SG ' ' A' ' 15' ' ' CYS . 35.6 mt -52.98 138.45 12.14 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.394 0 N-CA-C 108.723 -0.843 . . . . 70.44 108.723 169.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 26.0 m -74.35 161.39 29.91 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 112.088 0.403 . . . . 60.5 112.088 -171.05 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -50.24 -50.03 51.15 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 115.63 -0.714 . . . . 53.42 110.664 -178.53 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.425 ' HE3' ' HB2' ' A' ' 13' ' ' LYS . 38.7 mtmt -62.84 -21.94 66.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 114.633 -1.167 . . . . 75.52 111.63 -176.096 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.591 ' HB2' HG22 ' A' ' 10' ' ' ILE . 29.6 mm-40 -98.59 -33.6 10.91 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.094 -0.503 . . . . 65.23 111.402 -173.493 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.662 ' SG ' ' HB ' ' A' ' 10' ' ' ILE . 61.7 m -80.24 -61.81 1.87 Allowed 'General case' 0 C--O 1.238 0.456 0 CA-C-O 120.87 0.367 . . . . 55.21 110.989 -179.153 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 13.5 t -81.25 81.49 7.41 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-O 121.627 0.727 . . . . 42.34 110.678 -171.548 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 48.7 mm -110.37 -42.76 5.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 N-CA-C 108.169 -1.049 . . . . 74.34 108.169 171.232 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 27.8 m -102.52 133.88 44.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 114.85 -1.068 . . . . 73.51 109.612 173.313 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -104.22 42.71 1.16 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.145 0.498 . . . . 61.2 109.933 -178.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -136.58 96.64 3.38 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.516 -0.765 . . . . 65.4 110.568 -178.626 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 87.9 t80 53.92 81.73 0.09 Allowed 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 115.641 -0.709 . . . . 61.22 110.865 175.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.6 tpp85 -156.03 165.73 35.58 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.113 -0.494 . . . . 74.15 110.439 -177.217 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.09 125.74 27.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.474 -0.33 . . . . 72.32 110.338 176.193 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 55.9 mtm180 -93.81 101.03 13.12 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 110.057 -0.349 . . . . 75.22 110.057 -178.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 61.0 m -89.72 125.03 35.12 Favored 'General case' 0 C--O 1.238 0.46 0 CA-C-N 116.222 -0.445 . . . . 73.43 110.361 179.624 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 61.4 mtp180 -127.54 134.13 49.76 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-N 115.994 -0.548 . . . . 73.12 110.277 178.218 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 67.2 mttm 60.73 32.59 20.24 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 115.835 -0.62 . . . . 75.12 110.866 175.691 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 83.49 -6.04 74.92 Favored Glycine 0 N--CA 1.45 -0.368 0 CA-C-N 115.576 -0.738 . . . . 71.4 113.324 178.658 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -108.01 156.9 18.72 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 117.38 0.59 . . . . 61.31 110.014 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.427 ' N ' ' SG ' ' A' ' 9' ' ' CYS . 9.2 p -106.34 128.16 53.8 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-O 121.178 0.513 . . . . 71.31 111.654 -173.25 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 60.8 t -117.08 138.92 46.17 Favored 'Isoleucine or valine' 0 C--O 1.237 0.446 0 CA-C-N 115.562 -0.745 . . . . 71.25 109.974 178.34 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 31.7 mmt180 -97.01 125.06 41.17 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 121.11 0.481 . . . . 72.35 110.822 -175.488 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 15.4 ttt180 . . . . . 0 C--N 1.325 -0.47 0 CA-C-N 115.263 -0.881 . . . . 75.21 110.902 178.15 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 61.7 tttm . . . . . 0 CA--C 1.531 0.232 0 CA-C-O 120.733 0.301 . . . . 74.44 110.276 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 67.9 Cg_endo -85.24 -164.83 0.25 Allowed 'Trans proline' 0 C--N 1.348 0.516 0 C-N-CA 123.033 2.489 . . . . 75.23 112.31 -178.189 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 56.0 m -119.43 -173.04 2.44 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.045 -0.525 . . . . 72.43 110.047 179.399 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 46.2 mm -85.6 154.44 3.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 N-CA-C 109.72 -0.474 . . . . 70.44 109.72 177.599 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 33.2 p -69.56 158.68 34.79 Favored 'General case' 0 C--O 1.24 0.591 0 CA-C-O 121.133 0.492 . . . . 60.5 111.986 -176.695 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.617 ' HA ' ' SG ' ' A' ' 15' ' ' CYS . 11.7 t70 -50.76 -32.06 18.6 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 115.166 -0.925 . . . . 53.42 111.025 178.876 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 58.8 tptt -52.88 -34.58 55.32 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 115.332 -0.849 . . . . 75.52 111.909 -178.77 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -108.39 -37.81 5.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.523 -0.308 . . . . 65.23 111.135 -177.461 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.617 ' SG ' ' HA ' ' A' ' 12' ' ' ASP . 21.1 p -80.26 19.66 0.74 Allowed 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 111.854 0.316 . . . . 55.21 111.854 -176.43 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 29.8 m -57.34 113.19 1.65 Allowed 'General case' 0 CA--C 1.533 0.316 0 N-CA-C 109.23 -0.655 . . . . 42.34 109.23 172.156 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 18.6 pt -67.9 83.99 0.12 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.325 0 CA-C-O 121.844 0.831 . . . . 74.34 113.05 -169.186 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 26.9 m -123.65 14.37 5.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.017 -0.992 . . . . 73.51 109.29 171.043 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.572 ' HG3' ' H ' ' A' ' 20' ' ' ASN . 40.4 tptt -110.09 -176.92 3.12 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 115.128 -0.942 . . . . 61.2 109.372 -176.156 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.572 ' H ' ' HG3' ' A' ' 19' ' ' LYS . 17.6 m120 -81.06 39.28 0.5 Allowed 'General case' 0 N--CA 1.47 0.553 0 CA-C-O 120.961 0.41 . . . . 65.4 111.195 178.39 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 6.6 t80 -151.13 179.59 8.15 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 108.954 -0.758 . . . . 61.22 108.954 179.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 20.4 ptt180 -156.15 103.26 2.18 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-O 121.302 0.572 . . . . 74.15 111.835 -175.361 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.444 ' HA ' ' O ' ' A' ' 31' ' ' VAL . . . -148.32 119.9 8.0 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 115.513 -0.767 . . . . 72.32 110.343 178.4 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 18.1 tpp85 -93.69 110.15 21.78 Favored 'General case' 0 C--N 1.332 -0.184 0 N-CA-C 109.287 -0.634 . . . . 75.22 109.287 177.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.619 ' HA ' ' HA ' ' A' ' 30' ' ' CYS . 50.9 m -84.58 133.59 34.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.295 -0.411 . . . . 73.43 111.673 -174.003 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.406 ' HG2' ' HG2' ' A' ' 27' ' ' LYS . 20.9 ttt180 -159.49 144.85 15.73 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.148 -0.686 . . . . 73.12 109.148 178.743 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.406 ' HG2' ' HG2' ' A' ' 26' ' ' ARG . 34.2 mmtp 58.84 32.77 22.55 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 116.215 -0.448 . . . . 75.12 110.639 -178.764 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 79.97 -11.96 32.64 Favored Glycine 0 CA--C 1.52 0.367 0 CA-C-N 115.847 -0.615 . . . . 71.4 112.934 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 31.2 m-85 -99.33 171.32 8.05 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 110.066 -0.346 . . . . 61.31 110.066 -179.734 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.619 ' HA ' ' HA ' ' A' ' 25' ' ' CYS . 27.0 p -128.36 118.23 22.82 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 110.04 -0.356 . . . . 71.31 110.04 175.813 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.444 ' O ' ' HA ' ' A' ' 23' ' ' ALA . 23.3 t -82.67 102.14 8.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 N-CA-C 109.098 -0.705 . . . . 71.25 109.098 178.163 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 15.7 ptp180 -94.65 116.12 28.37 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.07 -0.968 . . . . 72.35 110.43 -176.55 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 20.1 tpp180 . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 115.725 -0.67 . . . . 75.21 110.598 -176.109 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 21.5 pttm . . . . . 0 C--O 1.235 0.313 0 N-CA-C 109.888 -0.412 . . . . 74.44 109.888 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_exo -65.0 -155.01 0.03 OUTLIER 'Trans proline' 0 CA--C 1.535 0.553 0 C-N-CA 122.842 2.362 . . . . 75.23 112.012 176.167 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 59.3 m -113.75 -177.35 3.11 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.95 0.405 . . . . 72.43 110.399 -177.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.614 HD13 ' H ' ' A' ' 10' ' ' ILE . 0.2 OUTLIER -68.99 167.76 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.779 -0.646 . . . . 70.44 110.298 175.116 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 17.1 m -71.8 160.48 32.51 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.238 -0.437 . . . . 60.5 111.108 -177.256 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.646 ' HA ' ' SG ' ' A' ' 15' ' ' CYS . 21.9 p-10 -59.85 -39.43 85.16 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.945 -0.57 . . . . 53.42 111.422 -176.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.465 ' HD3' ' N ' ' A' ' 14' ' ' GLU . 0.0 OUTLIER -66.98 -15.85 63.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.118 -0.492 . . . . 75.52 111.201 177.046 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.465 ' N ' ' HD3' ' A' ' 13' ' ' LYS . 9.3 tp10 -96.58 -38.41 9.98 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.166 -0.47 . . . . 65.23 110.617 -174.614 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.646 ' SG ' ' HA ' ' A' ' 12' ' ' ASP . 4.8 p -73.15 -20.16 60.97 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 116.491 -0.322 . . . . 55.21 111.382 179.582 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 13.6 p -90.88 91.27 8.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.962 0.41 . . . . 42.34 109.969 176.266 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 57.8 mt -96.64 -75.87 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.142 -0.481 . . . . 74.34 111.008 -177.079 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.54 HG22 ' HE ' ' A' ' 22' ' ' ARG . 31.4 m -91.26 145.87 6.93 Favored 'Isoleucine or valine' 0 C--O 1.233 0.22 0 CA-C-N 116.344 -0.389 . . . . 73.51 110.924 -177.087 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 31.9 mtmm -81.81 94.15 6.99 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.714 -0.675 . . . . 61.2 110.722 -177.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -171.41 -77.69 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 114.984 -1.007 . . . . 65.4 108.88 177.752 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 79.6 m-85 -153.55 137.93 16.69 Favored 'General case' 0 CA--C 1.512 -0.484 0 N-CA-C 109.004 -0.739 . . . . 61.22 109.004 173.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.54 ' HE ' HG22 ' A' ' 18' ' ' VAL . 8.9 mmt180 -156.08 166.74 32.55 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 115.627 -0.715 . . . . 74.15 109.978 -173.583 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.72 132.18 48.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.307 -0.406 . . . . 72.32 110.401 -177.626 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 35.2 mmt180 -95.61 117.18 29.98 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.632 -0.507 . . . . 75.22 109.632 -178.055 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.51 ' HB2' ' HA ' ' A' ' 12' ' ' ASP . 61.1 m -103.74 143.71 32.43 Favored 'General case' 0 C--O 1.238 0.466 0 CA-C-O 121.113 0.482 . . . . 73.43 111.202 -174.655 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 28.6 ptt180 -151.83 127.97 10.47 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 115.23 -0.896 . . . . 73.12 109.773 -177.448 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 56.18 32.43 20.2 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 122.9 0.48 . . . . 75.12 111.278 -178.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 85.37 -11.09 61.94 Favored Glycine 0 CA--C 1.521 0.434 0 C-N-CA 121.277 -0.487 . . . . 71.4 113.315 179.247 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 51.0 m-85 -90.62 140.38 29.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 117.187 0.494 . . . . 61.31 109.672 178.663 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 28.6 p -106.58 131.53 53.63 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.997 0.427 . . . . 71.31 110.937 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 33.9 t -103.6 109.79 28.1 Favored 'Isoleucine or valine' 0 C--O 1.237 0.44 0 N-CA-C 109.21 -0.663 . . . . 71.25 109.21 174.702 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 13.7 ptp180 -133.3 119.05 19.25 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.574 -0.739 . . . . 72.35 110.121 -177.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 24.2 mtm180 . . . . . 0 C--O 1.233 0.215 0 N-CA-C 109.831 -0.433 . . . . 75.21 109.831 178.224 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 92.9 mttt . . . . . 0 C--O 1.237 0.433 0 N-CA-C 109.725 -0.472 . . . . 74.44 109.725 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.452 ' HB3' ' HA ' ' A' ' 29' ' ' TYR . 14.0 Cg_exo -70.37 -151.24 0.03 OUTLIER 'Trans proline' 0 CA--C 1.534 0.52 0 C-N-CA 123.237 2.625 . . . . 75.23 111.739 177.336 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.434 ' HB2' ' HB3' ' A' ' 30' ' ' CYS . 62.9 m -126.67 175.11 8.21 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 116.634 -0.257 . . . . 72.43 110.382 -178.002 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.43 HG22 ' N ' ' A' ' 11' ' ' SER . 23.8 mm -68.13 167.24 1.65 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.443 0 N-CA-C 109.319 -0.623 . . . . 70.44 109.319 177.343 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.43 ' N ' HG22 ' A' ' 10' ' ' ILE . 20.2 m -55.19 160.43 2.16 Favored 'General case' 0 C--O 1.243 0.712 0 CA-C-O 121.714 0.769 . . . . 60.5 112.733 -176.114 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -56.16 -33.24 65.04 Favored 'General case' 0 N--CA 1.461 0.117 0 CA-C-N 115.046 -0.979 . . . . 53.42 111.621 -176.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -55.95 -36.83 68.23 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 121.187 0.518 . . . . 75.52 110.459 177.152 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -80.91 -43.74 19.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.583 -0.735 . . . . 65.23 109.683 -179.761 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 70.7 m -69.41 -15.05 63.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.688 -0.687 . . . . 55.21 111.633 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 45.1 t -67.74 85.46 0.21 Allowed 'General case' 0 C--O 1.236 0.379 0 CA-C-O 121.113 0.483 . . . . 42.34 109.927 178.306 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 31.0 pt -118.53 -168.81 0.47 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.548 0 CA-C-N 115.478 -0.783 . . . . 74.34 110.967 -178.244 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 30.3 m -60.38 153.2 4.82 Favored 'Isoleucine or valine' 0 C--O 1.235 0.317 0 CA-C-N 116.027 -0.533 . . . . 73.51 110.88 177.661 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 35.4 mttm -76.77 -5.66 49.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.265 0.555 . . . . 61.2 110.464 -176.311 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -67.51 -26.12 66.19 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.099 -0.955 . . . . 65.4 110.202 -179.23 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 59.8 m-85 -114.06 145.8 41.09 Favored 'General case' 0 C--O 1.236 0.343 0 N-CA-C 109.043 -0.725 . . . . 61.22 109.043 170.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.592 ' HA ' ' NE ' ' A' ' 22' ' ' ARG . 4.9 mmp_? -114.35 108.22 16.61 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.745 0.783 . . . . 74.15 111.901 -177.327 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -153.98 112.27 3.59 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 114.297 -1.319 . . . . 72.32 108.781 177.143 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 58.6 ttt180 -108.56 100.98 10.17 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.924 0.392 . . . . 75.22 110.224 -175.389 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.559 ' HA ' ' HA ' ' A' ' 30' ' ' CYS . 74.2 m -94.41 145.85 24.48 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.829 -0.623 . . . . 73.43 110.481 179.15 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.747 ' HG3' ' HG3' ' A' ' 27' ' ' LYS . 21.5 tpp180 -170.98 144.62 2.18 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.186 -0.672 . . . . 73.12 109.186 177.378 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.747 ' HG3' ' HG3' ' A' ' 26' ' ' ARG . 26.4 mtpp 58.54 32.35 22.04 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 115.912 -0.585 . . . . 75.12 111.268 175.79 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 86.44 -14.17 55.71 Favored Glycine 0 CA--C 1.522 0.477 0 CA-C-N 115.973 -0.558 . . . . 71.4 113.554 178.37 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.452 ' HA ' ' HB3' ' A' ' 8' ' ' PRO . 74.3 m-85 -103.75 168.87 8.86 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 117.247 0.523 . . . . 61.31 110.217 -178.861 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.559 ' HA ' ' HA ' ' A' ' 25' ' ' CYS . 26.5 p -146.01 121.99 10.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.716 0.293 . . . . 71.31 111.733 -177.203 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 45.2 t -90.2 106.83 17.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 N-CA-C 108.951 -0.759 . . . . 71.25 108.951 171.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 10.1 ptt180 -111.82 116.22 30.32 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.801 -0.636 . . . . 72.35 110.656 -174.545 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.523 ' HE ' ' HA ' ' A' ' 33' ' ' ARG . 2.1 tpm_? . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.035 -0.53 . . . . 75.21 109.95 179.317 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 16.3 ptpt . . . . . 0 C--O 1.235 0.298 0 N-CA-C 110.085 -0.339 . . . . 74.44 110.085 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 64.3 Cg_endo -71.44 -177.6 2.51 Favored 'Trans proline' 0 C--N 1.349 0.562 0 C-N-CA 122.705 2.27 . . . . 75.23 112.793 -176.64 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.557 ' SG ' ' N ' ' A' ' 30' ' ' CYS . 35.1 m -113.86 164.9 13.15 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.548 -0.751 . . . . 72.43 110.204 -178.063 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.458 ' O ' ' SG ' ' A' ' 15' ' ' CYS . 9.6 tp -89.1 168.0 1.6 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.638 0 CA-C-N 116.111 -0.495 . . . . 70.44 110.762 -175.637 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.419 ' N ' HG13 ' A' ' 10' ' ' ILE . 15.8 m -58.11 158.65 6.65 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-O 121.411 0.624 . . . . 60.5 112.511 -178.395 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -56.4 -42.42 77.93 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 115.473 -0.785 . . . . 53.42 112.188 -173.163 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.677 ' HE3' ' HA ' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -61.8 -23.05 65.97 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 120.729 0.3 . . . . 75.52 110.894 -179.347 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 34.2 mm-40 -95.93 -23.55 16.81 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.15 -0.477 . . . . 65.23 110.401 178.34 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.458 ' SG ' ' O ' ' A' ' 10' ' ' ILE . 70.8 m -75.82 -5.38 45.63 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.006 -0.543 . . . . 55.21 110.709 175.408 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 20.2 m -71.77 81.81 0.88 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.032 0.444 . . . . 42.34 110.408 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.505 HG13 ' HG2' ' A' ' 19' ' ' LYS . 8.0 tp -120.37 121.96 66.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.49 . . . . 74.34 109.969 178.355 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 58.3 t -84.5 107.55 15.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.098 -0.501 . . . . 73.51 110.439 -178.278 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.505 ' HG2' HG13 ' A' ' 17' ' ' ILE . 34.6 mmtp -138.5 -171.76 3.13 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-N 115.999 -0.546 . . . . 61.2 109.92 179.456 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -69.15 -12.99 62.16 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-O 121.45 0.643 . . . . 65.4 110.091 177.121 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 93.3 m-85 -125.26 173.88 8.49 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 115.17 -0.923 . . . . 61.22 108.996 172.692 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 11.6 ptt85 -145.61 151.26 37.8 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 110.199 -0.297 . . . . 74.15 110.199 173.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.678 ' HB2' ' HG2' ' A' ' 32' ' ' ARG . . . -118.51 159.3 23.77 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 115.974 -0.557 . . . . 72.32 111.923 -172.748 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 29.8 mmt180 -126.89 126.85 43.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.375 -0.83 . . . . 75.22 108.785 172.603 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.683 ' SG ' ' HB3' ' A' ' 30' ' ' CYS . 64.1 m -115.28 133.85 55.66 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.767 0.318 . . . . 73.43 111.365 -174.386 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 16.2 ptp180 -157.05 141.89 16.92 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 115.742 -0.663 . . . . 73.12 109.941 176.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 46.1 mtmt 51.93 33.11 11.01 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 123.215 0.606 . . . . 75.12 111.678 -179.322 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 75.25 20.14 79.19 Favored Glycine 0 CA--C 1.522 0.517 0 C-N-CA 121.102 -0.57 . . . . 71.4 113.183 178.483 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.446 ' O ' ' HA ' ' A' ' 25' ' ' CYS . 68.9 m-85 -122.74 128.38 50.43 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.901 -0.407 . . . . 61.31 109.901 174.678 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.683 ' HB3' ' SG ' ' A' ' 25' ' ' CYS . 15.0 p -113.21 118.07 33.65 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 110.153 -0.314 . . . . 71.31 110.153 177.749 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 60.1 t -109.65 127.91 66.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.262 -0.426 . . . . 71.25 110.549 -179.47 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.678 ' HG2' ' HB2' ' A' ' 23' ' ' ALA . 78.3 mtt85 -105.24 109.78 21.89 Favored 'General case' 0 C--O 1.236 0.368 0 N-CA-C 109.476 -0.564 . . . . 72.35 109.476 175.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.326 -0.417 0 N-CA-C 109.664 -0.495 . . . . 75.21 109.664 -178.555 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 48.4 mtmt . . . . . 0 C--O 1.235 0.306 0 N-CA-C 110.481 -0.192 . . . . 74.44 110.481 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -61.23 174.09 2.15 Favored 'Trans proline' 0 C--N 1.349 0.571 0 C-N-CA 122.968 2.445 . . . . 75.23 112.338 177.473 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.3 p -123.52 -179.72 4.45 Favored 'General case' 0 C--O 1.237 0.429 0 CA-C-N 116.162 -0.472 . . . . 72.43 111.036 -179.163 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.402 HG22 ' N ' ' A' ' 11' ' ' SER . 14.3 mm -81.75 162.5 3.43 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.418 0 CA-C-N 116.04 -0.527 . . . . 70.44 110.893 -173.743 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.402 ' N ' HG22 ' A' ' 10' ' ' ILE . 38.4 p -66.95 164.54 17.38 Favored 'General case' 0 C--O 1.242 0.709 0 N-CA-C 113.189 0.811 . . . . 60.5 113.189 -173.834 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.898 ' HA ' ' SG ' ' A' ' 15' ' ' CYS . 10.9 p-10 -59.75 -34.19 72.64 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 114.895 -1.048 . . . . 53.42 110.979 -179.669 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 38.4 ttmt -59.21 -21.83 60.1 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 115.825 -0.625 . . . . 75.52 111.066 179.21 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -102.89 -46.78 4.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 65.23 110.515 -176.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.898 ' SG ' ' HA ' ' A' ' 12' ' ' ASP . 6.7 p -70.36 -29.84 66.62 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 116.499 -0.319 . . . . 55.21 111.6 -177.676 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.801 ' HA ' ' HD3' ' A' ' 19' ' ' LYS . 71.1 m -131.72 117.16 18.24 Favored 'General case' 0 CA--C 1.53 0.186 0 CA-C-O 120.756 0.312 . . . . 42.34 111.2 179.558 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 8.9 tt -156.91 116.88 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.264 -0.425 . . . . 74.34 110.199 175.256 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 10.1 m 40.58 29.34 0.11 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.438 0 C-N-CA 124.369 1.068 . . . . 73.51 113.57 177.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.801 ' HD3' ' HA ' ' A' ' 16' ' ' SER . 20.1 ptmt -108.46 163.11 13.5 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.631 -0.713 . . . . 61.2 109.931 -179.087 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -80.97 -28.2 35.72 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 120.79 0.329 . . . . 65.4 110.497 -178.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.605 ' HB2' ' HE2' ' A' ' 19' ' ' LYS . 61.6 m-85 -75.85 154.28 36.23 Favored 'General case' 0 C--O 1.233 0.216 0 N-CA-C 109.392 -0.596 . . . . 61.22 109.392 176.728 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 91.1 mtt180 -135.64 116.66 14.29 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.873 0.368 . . . . 74.15 111.643 -169.574 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -137.76 128.8 27.41 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.696 -0.683 . . . . 72.32 110.042 176.638 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 27.5 ttm180 -101.26 100.94 11.52 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.218 0.532 . . . . 75.22 109.832 176.319 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.706 ' SG ' ' SG ' ' A' ' 30' ' ' CYS . 59.4 m -93.82 121.07 34.9 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.474 -0.785 . . . . 73.43 109.73 179.376 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.63 ' HG3' ' HG3' ' A' ' 27' ' ' LYS . 26.2 tpt180 -158.13 144.65 17.54 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.508 -0.314 . . . . 73.12 110.688 -174.582 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.63 ' HG3' ' HG3' ' A' ' 26' ' ' ARG . 95.0 mttt 60.38 32.62 20.69 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 116.092 -0.504 . . . . 75.12 110.937 175.657 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 84.82 -12.99 55.66 Favored Glycine 0 N--CA 1.453 -0.227 0 CA-C-N 115.861 -0.609 . . . . 71.4 112.736 178.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 64.8 m-85 -102.07 172.28 7.0 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.857 -0.423 . . . . 61.31 109.857 -178.036 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.706 ' SG ' ' SG ' ' A' ' 25' ' ' CYS . 74.8 m -144.43 117.92 9.12 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.366 -0.379 . . . . 71.31 110.361 177.475 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 4.9 p -109.21 114.96 48.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 121.313 0.578 . . . . 71.25 110.229 176.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 38.2 ptt180 -114.87 118.34 33.24 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.852 -0.613 . . . . 72.35 109.836 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 10.8 tpt85 . . . . . 0 C--N 1.325 -0.48 0 CA-C-N 115.998 -0.547 . . . . 75.21 110.25 -173.404 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 65.7 pttt . . . . . 0 C--O 1.236 0.374 0 CA-C-O 120.46 0.172 . . . . 74.44 111.1 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_exo -68.04 171.04 13.11 Favored 'Trans proline' 0 C--O 1.238 0.488 0 C-N-CA 122.743 2.295 . . . . 75.23 111.17 171.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 58.1 m -113.76 -178.59 3.41 Favored 'General case' 0 C--O 1.239 0.521 0 CA-C-O 120.925 0.393 . . . . 72.43 111.024 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.535 HG22 ' H ' ' A' ' 11' ' ' SER . 40.0 mt -71.07 174.76 0.69 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.446 0 N-CA-C 108.562 -0.903 . . . . 70.44 108.562 174.097 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.535 ' H ' HG22 ' A' ' 10' ' ' ILE . 5.8 m -55.38 155.7 5.0 Favored 'General case' 0 C--O 1.24 0.604 0 CA-C-O 121.114 0.483 . . . . 60.5 111.551 -178.55 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -58.36 -31.36 67.55 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 115.738 -0.664 . . . . 53.42 110.838 -175.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 52.4 mtpt -62.33 -27.95 69.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.39 -0.823 . . . . 75.52 110.752 179.741 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 34.9 mm-40 -102.0 -20.99 14.58 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.991 -0.55 . . . . 65.23 110.843 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.463 ' SG ' ' O ' ' A' ' 10' ' ' ILE . 98.0 m -60.13 -11.74 6.82 Favored 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 112.458 0.54 . . . . 55.21 112.458 -179.279 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 24.4 p -69.16 81.56 0.34 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.291 0.567 . . . . 42.34 109.807 176.205 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 68.2 mt -98.67 -55.28 6.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.525 -0.761 . . . . 74.34 110.005 179.795 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.709 HG12 ' H ' ' A' ' 20' ' ' ASN . 46.8 t -61.33 136.46 24.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 115.617 -0.719 . . . . 73.51 110.534 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 16.1 tppt? -69.59 -3.27 14.22 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-O 121.249 0.547 . . . . 61.2 111.493 -176.547 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.709 ' H ' HG12 ' A' ' 18' ' ' VAL . 19.8 m120 -97.78 3.11 50.07 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.749 -0.659 . . . . 65.4 109.946 177.296 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 88.4 m-85 53.91 17.77 1.43 Allowed 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 123.678 0.791 . . . . 61.22 112.557 178.321 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 6.9 tpp180 -93.59 85.01 4.76 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-O 121.428 0.632 . . . . 74.15 110.483 -176.756 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -164.23 153.21 13.47 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 114.918 -1.037 . . . . 72.32 109.328 176.198 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.407 HH11 ' HD3' ' A' ' 24' ' ' ARG . 45.5 ttp180 -147.56 132.72 18.34 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.855 0.36 . . . . 75.22 111.172 174.391 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.468 ' HA ' ' O ' ' A' ' 29' ' ' TYR . 81.1 m -118.09 135.14 54.38 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.772 -0.649 . . . . 73.43 110.362 174.565 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 19.3 tpt180 -149.71 136.28 19.24 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.018 -0.734 . . . . 73.12 109.018 179.03 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 60.4 mttp 51.62 32.4 9.1 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 121.419 0.628 . . . . 75.12 109.869 -175.129 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 84.88 -27.42 4.9 Favored Glycine 0 N--CA 1.451 -0.341 0 CA-C-N 115.272 -0.876 . . . . 71.4 113.053 -178.467 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.468 ' O ' ' HA ' ' A' ' 25' ' ' CYS . 8.2 t80 -69.01 146.87 52.35 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 117.088 0.444 . . . . 61.31 110.621 -176.187 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 3.0 m -122.92 137.31 54.98 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.21 -0.45 . . . . 71.31 110.802 -171.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 8.1 p -129.19 129.57 67.63 Favored 'Isoleucine or valine' 0 C--O 1.24 0.6 0 N-CA-C 109.98 -0.378 . . . . 71.25 109.98 174.048 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 5.6 ptp180 -129.88 132.75 46.52 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 115.849 -0.614 . . . . 72.35 110.467 -178.055 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 5.3 mmp_? . . . . . 0 C--O 1.236 0.342 0 N-CA-C 109.859 -0.423 . . . . 75.21 109.859 178.129 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.449 ' HA ' ' HD3' ' A' ' 8' ' ' PRO . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.183 0 N-CA-C 109.807 -0.442 . . . . 74.44 109.807 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.449 ' HD3' ' HA ' ' A' ' 7' ' ' LYS . 21.2 Cg_exo -66.15 166.11 22.11 Favored 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 122.599 2.199 . . . . 75.23 112.048 178.657 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 2.3 p -143.98 -177.21 5.32 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.079 -0.509 . . . . 72.43 110.654 -177.394 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.459 ' CG2' ' HB2' ' A' ' 14' ' ' GLU . 16.9 mt -75.59 160.86 4.96 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.435 0 CA-C-N 116.163 -0.471 . . . . 70.44 110.933 -174.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 16.0 p -89.73 177.6 6.48 Favored 'General case' 0 C--O 1.246 0.9 0 N-CA-C 113.143 0.794 . . . . 60.5 113.143 -173.186 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -49.86 -43.31 49.0 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 115.251 -0.886 . . . . 53.42 110.763 -176.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.5 tppp? -49.88 -33.31 16.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 114.991 -1.004 . . . . 75.52 111.934 -175.632 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.459 ' HB2' ' CG2' ' A' ' 10' ' ' ILE . 42.0 mt-10 -116.74 -8.95 11.35 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 116.541 -0.299 . . . . 65.23 111.441 -174.217 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 71.5 m -80.96 -11.78 59.51 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 116.51 -0.314 . . . . 55.21 110.774 170.426 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 35.9 m -68.56 85.57 0.3 Allowed 'General case' 0 CA--C 1.535 0.402 0 CA-C-O 120.953 0.406 . . . . 42.34 110.465 178.213 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.681 HG22 ' H ' ' A' ' 19' ' ' LYS . 50.0 mm -121.25 147.85 24.92 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.32 0 CA-C-N 115.831 -0.622 . . . . 74.34 109.953 -179.476 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 60.3 t -58.72 -30.51 42.28 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.335 0 CA-C-O 120.962 0.41 . . . . 73.51 111.326 -179.224 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.681 ' H ' HG22 ' A' ' 17' ' ' ILE . 54.7 mtmt -78.54 -3.72 45.08 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 116.181 -0.463 . . . . 61.2 111.435 -179.04 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 85.0 m-20 -110.0 82.56 1.61 Allowed 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 109.312 -0.625 . . . . 65.4 109.312 178.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 74.0 m-85 -57.18 -31.59 65.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.515 -0.766 . . . . 61.22 111.225 -178.15 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 3.9 tmm_? -156.03 106.56 2.43 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.564 -0.532 . . . . 74.15 109.564 177.087 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -154.21 148.28 25.74 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.0 -0.545 . . . . 72.32 110.365 179.184 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 72.1 mtt85 -144.21 123.77 13.23 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 122.838 0.455 . . . . 75.22 109.829 178.545 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.466 ' SG ' ' SG ' ' A' ' 30' ' ' CYS . 31.9 m -119.37 120.45 36.93 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.469 -0.567 . . . . 73.43 109.469 -179.213 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 15.5 ttm180 -147.84 138.6 23.22 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 121.109 -0.236 . . . . 73.12 111.1 -169.638 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 68.4 mttm 54.97 33.19 19.63 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 115.872 -0.604 . . . . 75.12 111.651 177.534 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 93.02 -15.45 62.83 Favored Glycine 0 CA--C 1.516 0.118 0 CA-C-N 115.87 -0.605 . . . . 71.4 113.096 176.36 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 71.3 m-85 -93.74 150.87 20.04 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 110.092 -0.336 . . . . 61.31 110.092 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.466 ' SG ' ' SG ' ' A' ' 25' ' ' CYS . 84.5 m -124.95 123.3 39.59 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-O 120.904 0.383 . . . . 71.31 110.843 176.846 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 48.9 t -110.24 117.54 54.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.721 -0.672 . . . . 71.25 109.779 177.092 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 30.2 ttm180 -136.94 145.5 44.31 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.06 -0.718 . . . . 72.35 109.06 179.145 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.423 HH11 ' HD2' ' A' ' 33' ' ' ARG . 16.7 tpt180 . . . . . 0 C--N 1.328 -0.33 0 CA-C-O 120.942 0.401 . . . . 75.21 110.023 179.469 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 20.1 ptmt . . . . . 0 CA--C 1.533 0.314 0 CA-C-O 120.745 0.307 . . . . 74.44 110.568 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 69.8 Cg_endo -85.85 -175.25 1.8 Allowed 'Trans proline' 0 C--O 1.236 0.423 0 C-N-CA 122.932 2.421 . . . . 75.23 112.018 178.36 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.447 ' O ' ' HA2' ' A' ' 28' ' ' GLY . 0.8 OUTLIER -144.66 -175.24 4.58 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.233 -0.44 . . . . 72.43 110.949 -178.173 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.0 pp -86.48 179.74 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 N-CA-C 112.631 0.604 . . . . 70.44 112.631 -174.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 54.9 p -94.91 178.35 5.6 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-N 115.5 -0.773 . . . . 60.5 111.256 -177.616 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.561 ' HA ' ' HB3' ' A' ' 15' ' ' CYS . 27.8 m-20 -50.83 -29.67 12.33 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 115.727 -0.67 . . . . 53.42 111.428 178.517 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 32.9 mmtp -65.05 -7.81 13.61 Favored 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 112.431 0.53 . . . . 75.52 112.431 -175.196 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -130.59 -28.8 2.01 Favored 'General case' 0 N--CA 1.47 0.539 0 N-CA-C 109.279 -0.637 . . . . 65.23 109.279 172.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.69 ' SG ' ' HB1' ' A' ' 23' ' ' ALA . 44.4 t -66.4 -51.72 54.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.321 -0.854 . . . . 55.21 110.514 177.249 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 18.9 t -96.42 83.52 3.55 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-O 121.502 0.668 . . . . 42.34 109.999 -179.366 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.421 HG23 HG13 ' A' ' 18' ' ' VAL . 7.3 tp -131.65 -34.02 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.216 -0.902 . . . . 74.34 109.534 175.338 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.421 HG13 HG23 ' A' ' 17' ' ' ILE . 27.1 m -91.88 140.94 15.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.814 -0.63 . . . . 73.51 110.451 177.835 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 16.9 ptpt -97.93 11.78 36.29 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.881 -0.599 . . . . 61.2 110.184 176.591 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -72.18 -37.4 69.31 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 115.684 -0.689 . . . . 65.4 110.651 179.654 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 43.0 p90 -146.91 176.97 9.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.986 -0.552 . . . . 61.22 110.482 -179.003 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.641 ' HG3' ' HB2' ' A' ' 33' ' ' ARG . 13.4 ptt180 -109.24 102.2 11.16 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.859 -0.61 . . . . 74.15 110.621 -177.006 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.69 ' HB1' ' SG ' ' A' ' 15' ' ' CYS . . . -107.05 123.03 47.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.784 -0.644 . . . . 72.32 110.475 -179.71 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.97 103.17 11.62 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.228 -0.656 . . . . 75.22 109.228 177.291 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.448 ' HA ' ' HA ' ' A' ' 30' ' ' CYS . 59.4 m -121.2 118.43 29.62 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.874 -0.417 . . . . 73.43 109.874 -178.832 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 19.1 tpt180 -143.07 141.53 31.29 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.757 -0.201 . . . . 73.12 110.842 -174.417 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 33.0 mtmm 54.35 33.01 17.53 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 123.337 0.655 . . . . 75.12 112.136 178.408 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.447 ' HA2' ' O ' ' A' ' 9' ' ' CYS . . . 76.34 14.71 82.09 Favored Glycine 0 CA--C 1.517 0.199 0 CA-C-N 116.176 -0.465 . . . . 71.4 113.271 177.166 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 42.0 t80 -124.38 128.05 48.49 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.496 -0.927 . . . . 61.31 108.496 175.381 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.448 ' HA ' ' HA ' ' A' ' 25' ' ' CYS . 4.8 p -120.56 133.44 55.39 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.569 0.581 . . . . 71.31 112.569 -169.879 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 10.1 m -133.3 119.1 34.1 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.249 0 CA-C-N 115.677 -0.692 . . . . 71.25 109.983 172.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 20.1 ptt180 -101.05 118.65 37.41 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 116.253 -0.431 . . . . 72.35 110.181 179.168 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.641 ' HB2' ' HG3' ' A' ' 22' ' ' ARG . 9.1 mmm180 . . . . . 0 C--O 1.235 0.299 0 N-CA-C 109.395 -0.594 . . . . 75.21 109.395 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 48.7 mtmt . . . . . 0 C--O 1.233 0.188 0 CA-C-O 120.619 0.247 . . . . 74.44 111.396 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.44 ' HB2' ' O ' ' A' ' 28' ' ' GLY . 85.5 Cg_endo -80.22 -158.9 0.1 OUTLIER 'Trans proline' 0 C--N 1.35 0.654 0 C-N-CA 122.781 2.321 . . . . 75.23 110.95 171.697 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.404 ' HB3' HD13 ' A' ' 10' ' ' ILE . 56.3 m -136.31 -173.72 3.48 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-O 120.627 0.251 . . . . 72.43 110.425 179.633 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.594 HG12 ' SG ' ' A' ' 15' ' ' CYS . 0.2 OUTLIER -55.38 156.11 1.07 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.409 0 CA-C-N 115.932 -0.576 . . . . 70.44 111.22 176.884 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 61.7 p -71.71 174.33 6.95 Favored 'General case' 0 C--O 1.241 0.619 0 N-CA-C 112.562 0.578 . . . . 60.5 112.562 -171.564 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -50.61 -50.04 55.13 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 115.149 -0.932 . . . . 53.42 111.134 -177.78 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 24.2 tptm -61.32 -24.45 66.45 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.475 -0.784 . . . . 75.52 111.398 -177.625 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -94.12 -29.3 15.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.314 -0.403 . . . . 65.23 110.954 -174.623 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.594 ' SG ' HG12 ' A' ' 10' ' ' ILE . 77.9 m -82.18 79.69 8.6 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-O 120.97 0.414 . . . . 55.21 110.576 177.308 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.4 ' O ' ' HB2' ' A' ' 20' ' ' ASN . 40.0 t -95.39 165.3 12.43 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.874 -0.603 . . . . 42.34 110.634 177.642 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 39.8 pt -78.06 1.36 2.35 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.295 0 CA-C-N 116.097 -0.502 . . . . 74.34 111.681 -176.524 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 57.4 t -48.06 -34.22 4.44 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.52 0 CA-C-O 121.002 0.43 . . . . 73.51 111.533 -179.47 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -148.75 6.84 0.73 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.986 -0.552 . . . . 61.2 110.374 175.56 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.49 ' HB3' ' HB3' ' A' ' 23' ' ' ALA . 91.1 m-20 -121.42 74.9 1.14 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.012 -0.54 . . . . 65.4 110.284 -176.645 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 69.1 t80 -74.33 -41.73 60.62 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.26 -0.644 . . . . 61.22 109.26 177.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 65.6 mtt180 -106.79 85.24 2.12 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-N 115.638 -0.71 . . . . 74.15 109.632 175.765 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.49 ' HB3' ' HB3' ' A' ' 20' ' ' ASN . . . -164.14 131.35 3.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.641 -0.709 . . . . 72.32 110.148 179.467 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 40.2 ttt85 -123.66 100.99 7.06 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 110.01 -0.367 . . . . 75.22 110.01 176.563 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.449 ' HA ' ' O ' ' A' ' 29' ' ' TYR . 60.7 m -106.4 116.25 31.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.796 -0.638 . . . . 73.43 109.384 175.199 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 58.2 mtp85 -137.61 130.89 30.79 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.425 -0.583 . . . . 73.12 109.425 174.527 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm 57.9 33.04 22.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.828 -0.624 . . . . 75.12 110.059 -177.684 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.44 ' O ' ' HB2' ' A' ' 8' ' ' PRO . . . 82.89 -15.88 29.85 Favored Glycine 0 C--N 1.331 0.271 0 CA-C-N 115.618 -0.719 . . . . 71.4 113.041 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.449 ' O ' ' HA ' ' A' ' 25' ' ' CYS . 81.3 m-85 -81.32 128.03 33.38 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 117.051 0.426 . . . . 61.31 109.875 -178.763 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 8.7 p -120.13 128.86 53.83 Favored 'General case' 0 C--O 1.238 0.487 0 CA-C-N 115.976 -0.556 . . . . 71.31 111.768 -170.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 57.6 t -129.66 121.93 53.87 Favored 'Isoleucine or valine' 0 C--O 1.235 0.315 0 CA-C-N 115.812 -0.631 . . . . 71.25 109.824 174.685 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.408 HH11 ' HD3' ' A' ' 32' ' ' ARG . 9.7 mmm180 -91.91 109.71 21.05 Favored 'General case' 0 C--O 1.233 0.187 0 N-CA-C 109.284 -0.636 . . . . 72.35 109.284 177.366 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.443 ' CZ ' ' HA ' ' A' ' 33' ' ' ARG . 2.5 tpm_? . . . . . 0 C--N 1.326 -0.449 0 CA-C-O 120.949 0.404 . . . . 75.21 110.769 -175.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 13.2 mptt . . . . . 0 C--O 1.236 0.392 0 N-CA-C 110.482 -0.192 . . . . 74.44 110.482 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_exo -49.87 167.3 0.21 Allowed 'Trans proline' 0 C--N 1.352 0.737 0 C-N-CA 123.148 2.565 . . . . 75.23 113.712 179.683 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.84 ' SG ' HD13 ' A' ' 10' ' ' ILE . 52.7 t -144.18 -179.95 6.83 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.404 -0.816 . . . . 72.43 109.593 -173.441 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.84 HD13 ' SG ' ' A' ' 9' ' ' CYS . 0.2 OUTLIER -76.76 172.84 1.05 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.292 0 CA-C-O 120.841 0.353 . . . . 70.44 111.265 -176.261 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 20.0 m -91.6 168.48 11.47 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 116.225 -0.443 . . . . 60.5 111.173 -176.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.435 ' N ' ' HB2' ' A' ' 25' ' ' CYS . 25.0 t70 -53.23 -50.57 64.48 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 112.747 0.647 . . . . 53.42 112.747 -169.778 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.477 ' NZ ' ' HB3' ' A' ' 13' ' ' LYS . 4.5 mmmp? -55.63 -31.06 61.99 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 116.336 -0.393 . . . . 75.52 110.608 179.4 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -85.69 -32.53 21.89 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.029 -0.532 . . . . 65.23 109.989 -175.738 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.599 ' SG ' HG12 ' A' ' 10' ' ' ILE . 57.4 m -68.71 -27.2 65.73 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 115.99 -0.55 . . . . 55.21 110.537 177.358 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 18.0 m -80.74 96.13 6.84 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.785 -0.643 . . . . 42.34 110.202 179.176 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.649 HG12 HG22 ' A' ' 18' ' ' VAL . 10.2 tt -148.93 123.5 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.362 -0.381 . . . . 74.34 110.592 179.819 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.649 HG22 HG12 ' A' ' 17' ' ' ILE . 24.2 m 37.21 -65.17 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.542 0.65 0 N-CA-C 115.767 1.766 . . . . 73.51 115.767 -177.508 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.551 ' N ' ' O ' ' A' ' 17' ' ' ILE . 0.9 OUTLIER -84.62 89.39 7.46 Favored 'General case' 0 C--N 1.315 -0.919 0 N-CA-C 109.175 -0.676 . . . . 61.2 109.175 176.195 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 56.1 t30 -82.81 75.57 9.7 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-O 121.515 0.674 . . . . 65.4 110.155 -175.411 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 57.5 t80 -64.89 163.2 14.82 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.199 -0.91 . . . . 61.22 109.912 174.503 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 43.7 ttm180 -81.3 88.91 6.05 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.986 -0.552 . . . . 74.15 109.965 -178.127 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -139.97 175.73 9.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.133 0.492 . . . . 72.32 111.524 -175.715 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 49.8 ttm-85 -151.05 139.45 20.41 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.629 -0.878 . . . . 75.22 108.629 171.615 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.463 ' HA ' ' O ' ' A' ' 29' ' ' TYR . 21.5 m -130.07 134.79 47.61 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.726 0.298 . . . . 73.43 110.466 179.7 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.578 ' HG2' ' HG3' ' A' ' 27' ' ' LYS . 68.7 ttt180 -160.39 143.89 13.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.349 -0.387 . . . . 73.12 109.979 -179.394 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.578 ' HG3' ' HG2' ' A' ' 26' ' ' ARG . 48.2 mtmt 57.33 32.47 21.81 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-O 121.148 0.499 . . . . 75.12 111.013 179.351 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 72.58 20.33 79.48 Favored Glycine 0 N--CA 1.451 -0.338 0 CA-C-N 115.819 -0.628 . . . . 71.4 113.241 -179.672 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.463 ' O ' ' HA ' ' A' ' 25' ' ' CYS . 93.4 m-85 -115.33 127.88 55.72 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.749 -0.463 . . . . 61.31 109.749 175.538 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 89.6 m -106.73 118.1 35.8 Favored 'General case' 0 C--O 1.235 0.306 0 N-CA-C 109.723 -0.473 . . . . 71.31 109.723 175.412 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 9.1 p -121.95 136.71 57.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 121.093 0.473 . . . . 71.25 110.996 -179.482 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 94.4 mtt180 -83.87 113.65 21.09 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.861 -0.609 . . . . 72.35 109.43 176.012 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 85.1 mtm180 . . . . . 0 C--N 1.327 -0.378 0 CA-C-O 121.619 0.724 . . . . 75.21 110.421 -179.61 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.526 ' HD2' ' N ' ' A' ' 7' ' ' LYS . 0.1 OUTLIER . . . . . 0 C--O 1.235 0.306 0 N-CA-C 110.419 -0.215 . . . . 74.44 110.419 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_endo -64.06 176.4 2.53 Favored 'Trans proline' 0 C--N 1.352 0.746 0 C-N-CA 122.728 2.285 . . . . 75.23 112.402 178.082 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 28.1 m -123.09 -171.67 2.34 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.735 -0.666 . . . . 72.43 110.683 -173.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.452 HG13 ' SG ' ' A' ' 15' ' ' CYS . 24.6 pt -69.76 157.97 6.31 Favored 'Isoleucine or valine' 0 C--O 1.233 0.235 0 CA-C-N 115.918 -0.583 . . . . 70.44 110.472 173.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 9.2 p -92.61 173.56 7.72 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-O 121.005 0.431 . . . . 60.5 111.742 -176.276 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.518 ' O ' ' HB2' ' A' ' 16' ' ' SER . 11.2 t70 -50.73 -30.65 14.43 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 115.34 -0.845 . . . . 53.42 111.149 -178.739 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 23.1 tptm -48.79 -37.59 19.57 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 115.868 -0.605 . . . . 75.52 111.156 177.795 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 30.9 mm-40 -104.59 -46.91 4.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 65.23 111.003 -179.233 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.452 ' SG ' HG13 ' A' ' 10' ' ' ILE . 4.6 p -97.81 86.35 3.75 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.374 0.607 . . . . 55.21 109.959 -178.343 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.518 ' HB2' ' O ' ' A' ' 12' ' ' ASP . 31.1 t -131.85 -174.89 3.55 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.403 -0.817 . . . . 42.34 110.867 -178.866 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.523 ' O ' HG12 ' A' ' 18' ' ' VAL . 13.3 tt -64.55 148.43 11.84 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.575 0 CA-C-N 115.794 -0.639 . . . . 74.34 112.341 -174.827 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.523 HG12 ' O ' ' A' ' 17' ' ' ILE . 2.8 p 58.32 9.91 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.478 0.934 0 C-N-CA 124.981 1.313 . . . . 73.51 113.362 172.731 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -84.14 164.03 19.43 Favored 'General case' 0 C--N 1.327 -0.382 0 O-C-N 121.963 -0.461 . . . . 61.2 110.347 176.15 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -47.2 -59.97 2.8 Favored 'General case' 0 N--CA 1.465 0.317 0 O-C-N 123.547 0.529 . . . . 65.4 112.282 -172.19 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 6.1 p90 -84.8 129.34 34.83 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.224 0.535 . . . . 61.22 111.085 -175.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 13.9 ttm180 -81.46 93.69 6.68 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 115.398 -0.819 . . . . 74.15 110.084 -175.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -149.08 147.19 28.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 72.32 110.701 -179.4 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 22.9 mmt180 -122.76 114.32 20.38 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.682 -0.488 . . . . 75.22 109.682 175.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 64.0 m -101.92 145.86 28.65 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.027 -0.533 . . . . 73.43 110.475 -179.372 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 33.7 ttm-85 -145.8 127.29 15.05 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.408 -0.59 . . . . 73.12 109.408 179.815 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 46.6 mmtm 50.93 32.89 7.92 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 116.272 -0.422 . . . . 75.12 111.186 178.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 99.9 -27.2 21.36 Favored Glycine 0 CA--C 1.52 0.374 0 CA-C-N 115.793 -0.639 . . . . 71.4 113.532 175.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -87.83 139.82 30.14 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 117.619 0.709 . . . . 61.31 110.765 -176.352 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 28.4 p -106.53 128.35 54.04 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-O 120.878 0.37 . . . . 71.31 111.131 -177.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 61.6 t -114.49 120.17 63.45 Favored 'Isoleucine or valine' 0 C--O 1.235 0.299 0 CA-C-N 115.767 -0.651 . . . . 71.25 109.286 174.759 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 43.2 mtm180 -116.66 114.9 24.7 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 110.15 -0.315 . . . . 72.35 110.15 -178.559 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 6.6 tpp180 . . . . . 0 C--N 1.325 -0.468 0 N-CA-C 109.612 -0.514 . . . . 75.21 109.612 177.435 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.638 ' HD2' ' N ' ' A' ' 7' ' ' LYS . 0.1 OUTLIER . . . . . 0 C--O 1.236 0.362 0 CA-C-O 120.489 0.185 . . . . 74.44 111.162 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.437 ' HD3' ' HA ' ' A' ' 7' ' ' LYS . 13.5 Cg_exo -69.37 -171.49 0.44 Allowed 'Trans proline' 0 C--N 1.355 0.879 0 C-N-CA 123.364 2.709 . . . . 75.23 112.707 -178.564 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 64.4 m -119.76 -172.03 2.25 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.508 -0.769 . . . . 72.43 110.999 -176.463 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 30.4 pt -65.5 177.51 0.32 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.272 0 CA-C-N 116.027 -0.533 . . . . 70.44 111.418 178.771 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 14.4 p -96.78 161.57 13.81 Favored 'General case' 0 C--O 1.242 0.667 0 CA-C-N 116.075 -0.511 . . . . 60.5 111.484 -177.258 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.667 ' HA ' ' SG ' ' A' ' 15' ' ' CYS . 30.8 t70 -56.04 -30.81 62.45 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 115.229 -0.896 . . . . 53.42 111.223 179.686 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 23.3 tptm -59.61 -35.26 73.99 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 116.016 -0.538 . . . . 75.52 110.213 178.579 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 31.8 mm-40 -84.64 -47.28 10.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.883 -0.599 . . . . 65.23 109.86 -178.692 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.667 ' SG ' ' HA ' ' A' ' 12' ' ' ASP . 28.1 p -88.62 48.71 1.67 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.185 0.517 . . . . 55.21 109.766 178.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 23.3 t -88.21 -170.4 2.95 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.78 -0.645 . . . . 42.34 110.831 -175.213 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.763 HG12 HG12 ' A' ' 18' ' ' VAL . 11.6 tt -54.26 123.24 4.87 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.338 0 CA-C-N 116.017 -0.538 . . . . 74.34 111.738 -177.588 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.763 HG12 HG12 ' A' ' 17' ' ' ILE . 7.8 p 32.4 91.05 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 C-N-CA 124.802 1.241 . . . . 73.51 114.116 177.644 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 34.0 mmtp -103.03 -172.78 2.17 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 114.935 -1.029 . . . . 61.2 109.166 172.711 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -70.08 -10.33 58.37 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-O 121.192 0.52 . . . . 65.4 110.109 176.541 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 34.4 p90 -132.07 139.35 48.49 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.569 -0.741 . . . . 61.22 109.686 177.325 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 40.8 ttm180 -86.7 99.37 11.71 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.907 -0.405 . . . . 74.15 109.907 -179.668 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -145.26 139.47 27.15 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.262 -0.427 . . . . 72.32 110.655 -178.289 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 31.0 mmt180 -130.88 122.99 28.01 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.263 -0.426 . . . . 75.22 109.963 175.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 37.4 m -88.32 145.93 25.57 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.03 -0.532 . . . . 73.43 110.512 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.408 HH11 ' HD3' ' A' ' 26' ' ' ARG . 14.6 ttm180 -137.27 101.14 4.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.281 -0.418 . . . . 73.12 110.294 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 43.4 mmtm 54.48 40.33 31.73 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 121.229 0.538 . . . . 75.12 111.308 176.324 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 100.25 -23.04 37.42 Favored Glycine 0 N--CA 1.453 -0.205 0 CA-C-N 115.743 -0.662 . . . . 71.4 112.851 178.238 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -80.79 165.72 21.63 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.713 -0.476 . . . . 61.31 109.713 176.598 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 13.8 p -136.35 123.33 21.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.849 0.357 . . . . 71.31 110.793 177.318 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 50.3 t -110.76 119.37 59.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.933 -0.576 . . . . 71.25 109.843 176.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 77.7 mtm180 -115.91 109.7 17.96 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.601 -0.518 . . . . 72.35 109.601 177.64 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.2 tpp180 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 115.965 -0.561 . . . . 75.21 111.223 -172.524 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.531 ' NZ ' ' HB2' ' A' ' 7' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.562 0.22 . . . . 74.44 110.839 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 7' ' ' LYS . 17.0 Cg_exo -68.8 -176.03 1.11 Allowed 'Trans proline' 0 C--N 1.348 0.533 0 C-N-CA 122.737 2.291 . . . . 75.23 110.674 169.355 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 53.4 m -113.97 171.69 7.44 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.786 0.327 . . . . 72.43 110.556 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.52 ' O ' ' SG ' ' A' ' 15' ' ' CYS . 18.5 tt -62.92 167.86 0.82 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.597 0 CA-C-N 115.598 -0.728 . . . . 70.44 110.849 -177.463 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -56.43 155.43 7.11 Favored 'General case' 0 CA--C 1.543 0.686 0 CA-C-O 121.723 0.773 . . . . 60.5 112.938 -175.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 18.9 p-10 -53.41 -47.09 69.88 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 114.768 -1.105 . . . . 53.42 112.688 -170.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 31.5 mtmm -65.38 -23.28 66.93 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.154 -0.476 . . . . 75.52 110.815 -176.431 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -90.22 -31.61 16.94 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.11 -0.496 . . . . 65.23 110.01 -177.219 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.52 ' SG ' ' O ' ' A' ' 10' ' ' ILE . 59.4 m -72.47 -19.38 61.57 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 115.8 -0.636 . . . . 55.21 110.384 174.326 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 38.7 t -74.04 81.2 1.72 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.936 -0.574 . . . . 42.34 110.553 -179.479 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.405 ' H ' HH22 ' A' ' 22' ' ' ARG . 6.9 tp -94.84 134.98 30.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.583 -0.735 . . . . 74.34 109.323 173.251 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 13.4 m -105.5 76.43 0.45 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.339 0 CA-C-O 121.249 0.547 . . . . 73.51 111.497 -176.67 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.41 ' HD3' ' HA ' ' A' ' 19' ' ' LYS . 38.9 mmtm -148.39 56.71 1.05 Allowed 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 115.934 -0.576 . . . . 61.2 110.777 178.166 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 43.5 m-80 73.88 -64.81 0.38 Allowed 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 123.639 0.776 . . . . 65.4 111.664 175.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 7.7 p90 -62.78 137.62 58.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.872 0.368 . . . . 61.22 110.223 -179.7 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.431 ' HA ' ' CZ ' ' A' ' 22' ' ' ARG . 2.5 tpm_? -113.54 97.02 6.18 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.123 0.487 . . . . 74.15 111.93 -174.389 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -96.12 123.29 39.67 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.999 -1.112 . . . . 72.32 107.999 166.34 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.87 116.81 17.68 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.976 0.417 . . . . 75.22 109.929 -176.691 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.642 ' SG ' ' HB3' ' A' ' 30' ' ' CYS . 71.7 m -91.8 113.32 25.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.902 -0.59 . . . . 73.43 110.873 179.281 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 15.4 ptt180 -112.71 121.15 43.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.914 -0.584 . . . . 73.12 109.831 176.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 56.2 mtpt 56.5 32.91 21.64 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 116.071 -0.513 . . . . 75.12 110.921 178.274 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 92.1 -23.26 27.66 Favored Glycine 0 C--N 1.334 0.42 0 CA-C-N 115.935 -0.575 . . . . 71.4 112.504 179.139 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 95.7 m-85 -89.8 128.02 36.07 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 109.989 -0.374 . . . . 61.31 109.989 -178.265 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.642 ' HB3' ' SG ' ' A' ' 25' ' ' CYS . 1.8 p -106.7 129.17 54.64 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.346 -0.388 . . . . 71.31 111.298 -171.688 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 34.8 m -108.81 141.17 24.79 Favored 'Isoleucine or valine' 0 C--O 1.236 0.351 0 CA-C-N 116.011 -0.54 . . . . 71.25 110.23 176.106 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 13.2 ptt180 -114.1 109.59 18.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.208 0.528 . . . . 72.35 110.324 179.635 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.425 ' HB2' ' HB3' ' A' ' 22' ' ' ARG . 31.3 mmt180 . . . . . 0 C--O 1.237 0.429 0 CA-C-N 115.658 -0.701 . . . . 75.21 110.779 -177.174 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 56.8 tptt . . . . . 0 C--O 1.236 0.368 0 N-CA-C 110.337 -0.245 . . . . 74.44 110.337 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -91.86 -169.18 0.26 Allowed 'Trans proline' 0 N--CA 1.457 -0.649 0 C-N-CA 122.971 2.447 . . . . 75.23 111.43 174.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 97.0 m -146.77 158.76 43.99 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.207 -0.451 . . . . 72.43 110.349 177.828 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.421 HG22 ' N ' ' A' ' 11' ' ' SER . 26.8 mm -87.34 165.96 2.02 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.315 0 N-CA-C 108.954 -0.758 . . . . 70.44 108.954 177.844 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.421 ' N ' HG22 ' A' ' 10' ' ' ILE . 32.4 p -55.65 168.42 0.42 Allowed 'General case' 0 C--O 1.243 0.756 0 CA-C-O 121.834 0.826 . . . . 60.5 112.912 -174.55 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -55.36 -31.06 61.45 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 114.959 -1.018 . . . . 53.42 110.86 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.457 ' NZ ' ' HB3' ' A' ' 13' ' ' LYS . 8.3 mtpm? -57.46 -34.34 68.9 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 115.737 -0.665 . . . . 75.52 111.291 177.814 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.2 tp10 -88.84 -42.21 12.01 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 115.977 -0.556 . . . . 65.23 110.263 -179.556 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 90.5 m -60.41 -31.01 69.98 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 116.037 -0.529 . . . . 55.21 111.379 -179.535 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 11.3 p -70.65 93.28 0.91 Allowed 'General case' 0 C--O 1.235 0.328 0 CA-C-O 121.068 0.461 . . . . 42.34 110.421 177.544 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 9.8 tp -130.94 160.05 42.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.612 -0.722 . . . . 74.34 109.246 -179.814 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.563 HG12 ' HG2' ' A' ' 19' ' ' LYS . 48.4 t -56.3 136.65 18.83 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.335 0 O-C-N 123.228 0.33 . . . . 73.51 111.385 -177.55 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.563 ' HG2' HG12 ' A' ' 18' ' ' VAL . 13.7 mmmm 59.87 38.95 20.96 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 115.611 -0.722 . . . . 61.2 111.928 -179.511 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 58.8 t30 -137.66 101.92 4.61 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 108.742 -0.836 . . . . 65.4 108.742 177.029 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 84.9 m-85 -52.62 171.38 0.06 Allowed 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 114.564 -1.198 . . . . 61.22 111.704 179.15 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 21.0 mmm180 -81.31 114.73 20.29 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.559 0.695 . . . . 74.15 112.71 -168.094 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -123.86 144.5 49.71 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 114.526 -1.216 . . . . 72.32 108.369 174.412 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.49 100.94 13.13 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.956 0.407 . . . . 75.22 109.979 -171.313 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 39.9 m -104.29 128.25 52.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.733 -0.667 . . . . 73.43 110.018 177.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.529 ' HG2' ' HG3' ' A' ' 27' ' ' LYS . 65.2 ttt180 -168.43 145.09 3.85 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 116.37 -0.377 . . . . 73.12 110.099 -177.462 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.529 ' HG3' ' HG2' ' A' ' 26' ' ' ARG . 54.2 mtpt 62.4 32.9 16.63 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 122.928 0.491 . . . . 75.12 110.942 177.105 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 78.53 -0.97 73.95 Favored Glycine 0 CA--C 1.519 0.282 0 CA-C-N 115.878 -0.601 . . . . 71.4 112.959 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -106.46 157.89 17.31 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.755 0.312 . . . . 61.31 110.287 179.753 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 4.9 p -135.99 117.71 15.02 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-N 116.131 -0.486 . . . . 71.31 110.03 178.231 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 59.3 t -112.25 122.58 66.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.259 -0.428 . . . . 71.25 110.659 -177.12 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.489 ' HD3' ' N ' ' A' ' 32' ' ' ARG . 0.5 OUTLIER -93.9 118.78 31.94 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.033 -0.729 . . . . 72.35 109.033 176.513 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 33.9 mtp-105 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.075 -0.511 . . . . 75.21 110.819 -176.38 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.234 0.262 0 N-CA-C 110.12 -0.326 . . . . 74.44 110.12 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 61.8 Cg_endo -72.51 -168.2 0.38 Allowed 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 122.352 2.035 . . . . 75.23 111.905 176.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 92.3 m -114.12 -171.92 2.0 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.209 -0.451 . . . . 72.43 110.337 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.44 HD13 ' HB3' ' A' ' 14' ' ' GLU . 1.6 pp -76.32 179.03 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.922 -0.581 . . . . 70.44 111.681 178.276 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 14.0 m -72.81 158.65 35.15 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-N 115.984 -0.553 . . . . 60.5 111.55 -176.555 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -56.17 -37.22 69.27 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 116.023 -0.535 . . . . 53.42 111.142 -176.433 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 46.6 mmtm -61.16 -29.86 70.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.972 -0.558 . . . . 75.52 110.118 178.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.44 ' HB3' HD13 ' A' ' 10' ' ' ILE . 6.7 tp10 -89.15 -22.34 22.88 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 115.667 -0.697 . . . . 65.23 109.884 178.421 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 65.9 m -71.91 10.37 0.72 Allowed 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 116.022 -0.535 . . . . 55.21 111.772 177.449 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 29.2 t -68.25 81.71 0.24 Allowed 'General case' 0 CA--C 1.533 0.315 0 CA-C-O 121.05 0.452 . . . . 42.34 110.436 179.427 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 66.5 mt -91.6 116.89 33.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.831 -0.622 . . . . 74.34 109.678 177.568 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 25.3 t -82.53 73.4 0.82 Allowed 'Isoleucine or valine' 0 C--O 1.238 0.468 0 CA-C-O 121.492 0.663 . . . . 73.51 110.41 -179.08 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -141.94 179.16 7.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.128 -0.942 . . . . 61.2 109.458 177.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -77.06 -25.59 52.58 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.735 -0.469 . . . . 65.4 109.735 176.839 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 96.0 m-85 -75.99 137.82 40.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.668 -0.696 . . . . 61.22 109.861 176.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 15.6 tpp180 -128.39 133.0 48.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.475 -0.329 . . . . 74.15 110.174 -178.467 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -114.74 172.49 7.0 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.306 -0.406 . . . . 72.32 110.785 -179.04 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 40.2 mmm-85 -122.89 127.89 49.58 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.136 -0.69 . . . . 75.22 109.136 178.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 67.6 m -125.28 134.08 52.42 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.769 0.319 . . . . 73.43 110.585 179.452 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 55.7 ttt180 -158.11 133.12 8.57 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.505 -0.554 . . . . 73.12 109.505 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.568 ' NZ ' ' HB3' ' A' ' 27' ' ' LYS . 3.2 mmmp? 54.98 32.34 17.87 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-O 121.172 0.51 . . . . 75.12 110.098 -176.732 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 77.9 -19.33 4.34 Favored Glycine 0 CA--C 1.522 0.504 0 CA-C-N 115.82 -0.627 . . . . 71.4 112.72 -177.341 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 7.9 t80 -68.14 134.27 50.27 Favored 'General case' 0 C--O 1.236 0.382 0 O-C-N 122.483 -0.422 . . . . 61.31 110.342 -179.454 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.1 p -111.24 118.69 36.61 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.053 -0.521 . . . . 71.31 110.956 -176.545 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 61.7 t -113.74 139.95 36.69 Favored 'Isoleucine or valine' 0 C--O 1.233 0.232 0 CA-C-N 115.633 -0.712 . . . . 71.25 109.569 178.027 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 28.5 ptt180 -140.31 146.46 38.54 Favored 'General case' 0 C--O 1.235 0.336 0 N-CA-C 110.353 -0.24 . . . . 72.35 110.353 -177.679 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.463 ' HG3' ' O ' ' A' ' 33' ' ' ARG . 32.0 ptt85 . . . . . 0 CA--C 1.53 0.203 0 N-CA-C 108.708 -0.849 . . . . 75.21 108.708 171.637 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.48 ' O ' ' SG ' ' A' ' 30' ' ' CYS . 67.0 mttm . . . . . 0 CA--C 1.53 0.177 0 N-CA-C 110.034 -0.358 . . . . 74.44 110.034 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.558 ' HA ' ' O ' ' A' ' 28' ' ' GLY . 15.5 Cg_endo -56.26 126.76 23.41 Favored 'Trans proline' 0 C--N 1.352 0.746 0 C-N-CA 122.685 2.256 . . . . 75.23 111.587 -179.17 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.669 ' SG ' ' SG ' ' A' ' 25' ' ' CYS . 19.8 p -122.08 170.8 9.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.983 0.42 . . . . 72.43 111.471 -177.134 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.621 HG22 ' H ' ' A' ' 11' ' ' SER . 6.2 mm -87.09 177.25 0.61 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.613 0 CA-C-N 115.848 -0.615 . . . . 70.44 110.033 -174.779 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.621 ' H ' HG22 ' A' ' 10' ' ' ILE . 13.8 m -55.38 162.57 1.48 Allowed 'General case' 0 CA--C 1.538 0.482 0 N-CA-C 112.554 0.575 . . . . 60.5 112.554 -176.42 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -54.94 -35.25 64.03 Favored 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 112.798 0.666 . . . . 53.42 112.798 -172.708 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.41 ' HE2' ' HB3' ' A' ' 13' ' ' LYS . 16.8 ptpt -61.24 -22.81 65.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.806 0.336 . . . . 75.52 111.261 179.816 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 25.8 mm-40 -92.49 -40.31 10.9 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.306 -0.627 . . . . 65.23 109.306 174.201 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.499 ' HB2' ' HB2' ' A' ' 25' ' ' CYS . 34.3 t -51.81 -54.36 29.78 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 114.685 -1.143 . . . . 55.21 111.094 -178.522 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.521 ' HB3' ' HB3' ' A' ' 23' ' ' ALA . 35.4 p -120.14 89.13 3.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.026 -0.534 . . . . 42.34 110.714 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 10.1 tt -122.0 -42.8 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.876 -0.602 . . . . 74.34 109.587 173.541 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.7 p -79.12 -39.3 21.19 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.187 0 CA-C-N 115.959 -0.564 . . . . 73.51 110.532 177.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 54.8 mtmt -135.81 102.72 5.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.798 -0.637 . . . . 61.2 109.936 179.645 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.516 ' HA ' ' HB2' ' A' ' 16' ' ' SER . 2.4 p-10 -104.3 80.18 1.68 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.332 0.587 . . . . 65.4 110.773 -178.243 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 5.1 p90 -113.79 -68.18 0.94 Allowed 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 115.54 -0.755 . . . . 61.22 109.779 176.087 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 69.3 mtp180 -151.21 85.41 1.33 Allowed 'General case' 0 C--O 1.235 0.33 0 N-CA-C 109.604 -0.517 . . . . 74.15 109.604 176.685 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.521 ' HB3' ' HB3' ' A' ' 16' ' ' SER . . . -142.02 118.68 11.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.791 -0.641 . . . . 72.32 109.67 179.073 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 78.5 mtp180 -125.6 100.93 6.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.031 0.444 . . . . 75.22 110.289 -177.243 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.669 ' SG ' ' SG ' ' A' ' 9' ' ' CYS . 63.0 m -113.49 143.35 44.67 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 108.843 -0.799 . . . . 73.43 108.843 175.491 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 20.6 ttt180 -170.87 126.87 0.72 Allowed 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.935 -0.306 . . . . 73.12 111.321 -172.201 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 52.3 mttm 54.98 34.94 23.49 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 115.83 -0.623 . . . . 75.12 112.046 177.367 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.558 ' O ' ' HA ' ' A' ' 8' ' ' PRO . . . 94.05 -24.83 24.9 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.99 -0.624 . . . . 71.4 112.093 179.142 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 44.5 m-85 -76.66 152.61 35.73 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 110.132 -0.322 . . . . 61.31 110.132 -178.333 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.48 ' SG ' ' O ' ' A' ' 7' ' ' LYS . 31.0 m -134.07 129.7 36.4 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 116.243 -0.435 . . . . 71.31 111.003 -174.298 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 48.5 t -132.58 114.32 22.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.043 -0.526 . . . . 71.25 109.683 173.462 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.3 tmm_? -141.84 113.28 7.67 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 107.87 -1.159 . . . . 72.35 107.87 178.769 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 11.0 ttt180 . . . . . 0 C--N 1.326 -0.434 0 CA-C-O 121.049 0.452 . . . . 75.21 111.176 -170.407 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 26.7 mtpp . . . . . 0 CA--C 1.529 0.153 0 CA-C-O 120.626 0.25 . . . . 74.44 111.265 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_endo -80.74 -166.19 0.39 Allowed 'Trans proline' 0 N--CA 1.461 -0.392 0 C-N-CA 122.84 2.36 . . . . 75.23 110.249 169.314 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.423 ' SG ' ' N ' ' A' ' 10' ' ' ILE . 51.7 t -113.94 -178.36 3.35 Favored 'General case' 0 C--N 1.313 -0.988 0 N-CA-C 108.564 -0.902 . . . . 72.43 108.564 178.13 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.748 HD13 ' HG2' ' A' ' 14' ' ' GLU . 12.8 tt -98.86 161.06 3.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 C-N-CA 120.648 -0.421 . . . . 70.44 110.523 -176.567 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 15.5 m -56.6 155.75 7.07 Favored 'General case' 0 CA--C 1.535 0.396 0 N-CA-C 113.095 0.776 . . . . 60.5 113.095 -171.537 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.424 ' HA ' ' SG ' ' A' ' 15' ' ' CYS . 4.6 p-10 -53.43 -41.28 65.91 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 115.0 -1.0 . . . . 53.42 111.605 -179.576 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 17.5 ttpp -55.24 -34.81 64.32 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.285 0.564 . . . . 75.52 110.709 177.716 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.748 ' HG2' HD13 ' A' ' 10' ' ' ILE . 17.1 tp10 -94.6 -13.91 25.49 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.685 -0.689 . . . . 65.23 110.042 -176.869 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.424 ' SG ' ' HA ' ' A' ' 12' ' ' ASP . 72.0 m -70.07 -51.43 31.95 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 116.091 -0.504 . . . . 55.21 110.402 172.362 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 15.8 m -102.89 91.73 4.27 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 116.025 -0.534 . . . . 42.34 111.177 -176.581 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.496 ' N ' HD12 ' A' ' 17' ' ' ILE . 3.4 mp -90.8 70.47 0.7 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.153 0 N-CA-C 108.952 -0.759 . . . . 74.34 108.952 178.232 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 9.7 m 40.72 24.84 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.416 0 C-N-CA 124.343 1.057 . . . . 73.51 112.904 -175.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.0 tppp? -98.15 152.45 19.34 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.669 -0.696 . . . . 61.2 110.285 -176.104 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -77.32 67.16 3.22 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-O 121.423 0.63 . . . . 65.4 111.056 179.697 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 49.0 m-85 -147.38 152.66 38.53 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 108.552 -0.907 . . . . 61.22 108.552 174.392 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 38.3 ttm180 -142.74 129.94 20.93 Favored 'General case' 0 C--O 1.238 0.454 0 CA-C-O 121.275 0.56 . . . . 74.15 111.398 -176.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -149.31 155.07 39.96 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 114.912 -1.04 . . . . 72.32 108.379 176.102 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 70.8 ttt180 -95.02 102.6 14.42 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.811 0.339 . . . . 75.22 110.334 -176.839 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.478 ' SG ' ' SG ' ' A' ' 30' ' ' CYS . 32.0 m -102.78 113.36 26.72 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.84 -0.618 . . . . 73.43 109.766 177.411 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.439 ' NH1' ' HD1' ' A' ' 29' ' ' TYR . 2.4 tmm_? -134.28 126.09 29.04 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.87 -0.418 . . . . 73.12 109.87 -177.742 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 53.3 mtpt 55.76 32.88 20.34 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 123.17 0.588 . . . . 75.12 110.91 -175.493 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 78.9 0.42 81.61 Favored Glycine 0 C--O 1.224 -0.473 0 CA-C-N 115.871 -0.604 . . . . 71.4 113.179 178.172 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.439 ' HD1' ' NH1' ' A' ' 26' ' ' ARG . 25.5 m-85 -94.68 127.95 41.02 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 108.001 -1.111 . . . . 61.31 108.001 174.865 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.478 ' SG ' ' SG ' ' A' ' 25' ' ' CYS . 83.7 m -108.67 129.48 55.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.79 0.329 . . . . 71.31 111.004 -177.381 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 16.8 m -134.76 120.53 31.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 N-CA-C 109.477 -0.564 . . . . 71.25 109.477 174.358 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.4 HH11 ' HD3' ' A' ' 32' ' ' ARG . 33.7 ttt180 -81.65 109.67 16.29 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 110.027 -0.36 . . . . 72.35 110.027 -178.856 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 N-CA-C 108.733 -0.84 . . . . 75.21 108.733 177.467 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.102 0 CA-C-O 120.561 0.22 . . . . 51.55 110.54 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -113.46 90.67 3.41 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.19 -0.67 . . . . 61.45 109.19 178.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 8.6 tt -63.44 110.17 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.043 -0.526 . . . . 71.14 110.144 -177.396 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 9.5 pt20 -140.74 153.02 45.73 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.169 -0.469 . . . . 72.04 110.652 -173.403 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 56.6 tp -89.52 117.86 28.73 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.562 -0.533 . . . . 65.04 109.562 176.196 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.3 t -61.83 141.98 57.61 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-O 120.981 0.42 . . . . 74.24 110.586 -179.633 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.421 ' HA ' ' HD3' ' A' ' 8' ' ' PRO . 18.1 ptpt -121.75 149.08 52.44 Favored Pre-proline 0 C--N 1.326 -0.445 0 CA-C-N 115.544 -0.753 . . . . 74.44 110.356 -177.268 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 7' ' ' LYS . 24.3 Cg_exo -64.86 -178.18 0.7 Allowed 'Trans proline' 0 C--N 1.35 0.609 0 C-N-CA 123.083 2.522 . . . . 75.23 113.155 -178.251 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.409 ' HB3' HD13 ' A' ' 10' ' ' ILE . 97.0 m -113.76 -179.34 3.61 Favored 'General case' 0 C--O 1.238 0.452 0 CA-C-N 115.919 -0.582 . . . . 72.43 110.768 178.702 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.56 HG12 ' SG ' ' A' ' 15' ' ' CYS . 0.2 OUTLIER -57.32 164.35 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.392 0 CA-C-N 116.035 -0.53 . . . . 70.44 111.747 178.387 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 14.8 m -70.58 160.19 32.96 Favored 'General case' 0 C--O 1.239 0.544 0 CA-C-N 115.729 -0.669 . . . . 60.5 111.569 -176.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -55.25 -35.03 64.55 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 115.775 -0.648 . . . . 53.42 110.767 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 51.5 mtpt -54.05 -38.6 65.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.523 -0.762 . . . . 75.52 110.655 176.51 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -89.78 -25.12 21.27 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.468 -0.787 . . . . 65.23 110.168 -176.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.56 ' SG ' HG12 ' A' ' 10' ' ' ILE . 36.9 m -79.95 9.29 5.55 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 115.89 -0.595 . . . . 55.21 111.48 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 48.9 m -102.87 177.33 4.87 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-O 120.77 0.319 . . . . 42.34 111.11 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 33.7 pt -66.22 -1.19 1.04 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.403 0 CA-C-N 116.117 -0.492 . . . . 74.34 112.255 -172.109 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 38.9 t -55.99 -36.08 43.27 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.239 0 CA-C-O 121.283 0.563 . . . . 73.51 109.89 173.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -101.25 12.07 38.19 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 115.481 -0.781 . . . . 61.2 111.091 179.402 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 77.88 -8.11 1.72 Allowed 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 123.649 0.78 . . . . 65.4 111.527 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 90.4 m-85 -94.13 173.22 7.76 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.421 -0.354 . . . . 61.22 110.979 178.643 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 11.3 ptt180 -153.58 98.92 2.27 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-O 121.46 0.648 . . . . 74.15 110.754 -179.134 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -137.49 163.9 30.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.837 -0.619 . . . . 72.32 110.038 179.002 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 53.6 ttt180 -103.91 112.13 24.97 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.357 -0.609 . . . . 75.22 109.357 178.659 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.446 ' HA ' ' O ' ' A' ' 29' ' ' TYR . 70.9 m -117.37 118.51 32.43 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.26 0.553 . . . . 73.43 110.152 -178.625 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 57.5 ttt180 -135.32 117.36 15.34 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.57 -0.741 . . . . 73.12 110.087 -175.202 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt 56.33 32.97 21.47 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 121.365 0.602 . . . . 75.12 110.526 -178.268 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 91.31 -20.95 37.48 Favored Glycine 0 N--CA 1.45 -0.381 0 CA-C-N 115.393 -0.821 . . . . 71.4 112.615 178.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.446 ' O ' ' HA ' ' A' ' 25' ' ' CYS . 4.3 t80 -71.4 128.04 34.55 Favored 'General case' 0 C--N 1.333 -0.151 0 N-CA-C 109.036 -0.727 . . . . 61.31 109.036 -179.406 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.2 p -115.39 118.34 32.95 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.924 0.393 . . . . 71.31 111.233 -174.335 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 18.2 m -135.9 128.87 47.1 Favored 'Isoleucine or valine' 0 C--O 1.233 0.225 0 CA-C-N 116.028 -0.533 . . . . 71.25 110.379 178.48 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.541 HH12 ' HG2' ' A' ' 34' ' ' ARG . 3.4 tmm_? -87.2 109.81 19.73 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 108.262 -1.014 . . . . 72.35 108.262 175.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 30.0 mmm180 -100.52 174.04 6.27 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.969 -0.559 . . . . 75.21 111.688 -171.726 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.541 ' HG2' HH12 ' A' ' 32' ' ' ARG . 25.2 mmm180 -117.63 154.1 32.16 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.467 -0.788 . . . . 63.45 109.092 171.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 10.4 tt -70.74 -36.9 66.84 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.673 0 CA-C-O 121.222 0.534 . . . . 74.43 109.608 174.154 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 40.4 ttm180 . . . . . 0 C--O 1.247 0.961 0 CA-C-N 115.535 -0.757 . . . . 74.55 109.378 179.121 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.003 0 CA-C-O 121.002 0.43 . . . . 51.55 110.033 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 84.1 t80 -151.87 120.42 6.46 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.818 -0.628 . . . . 61.45 109.54 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 58.0 mt -58.19 109.33 0.35 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.318 0 CA-C-N 116.453 -0.339 . . . . 71.14 110.424 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 87.0 mm-40 -70.85 98.85 1.64 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.091 -0.504 . . . . 72.04 110.591 -179.322 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 61.6 tp -70.06 93.93 0.84 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.077 -0.51 . . . . 65.04 110.074 176.316 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.5 t -73.29 147.82 44.16 Favored 'General case' 0 C--O 1.238 0.452 0 N-CA-C 109.355 -0.609 . . . . 74.24 109.355 176.553 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.453 ' NZ ' ' HB3' ' A' ' 7' ' ' LYS . 6.3 ttpm? -126.08 106.28 25.23 Favored Pre-proline 0 C--N 1.322 -0.589 0 CA-C-N 116.378 -0.373 . . . . 74.44 110.534 -179.01 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 81.9 Cg_endo -85.19 -169.7 0.66 Allowed 'Trans proline' 0 N--CA 1.456 -0.678 0 C-N-CA 122.577 2.184 . . . . 75.23 111.506 173.589 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.427 ' SG ' ' N ' ' A' ' 30' ' ' CYS . 32.7 m -113.61 -171.45 1.89 Allowed 'General case' 0 C--N 1.317 -0.808 0 N-CA-C 108.284 -1.006 . . . . 72.43 108.284 176.555 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.662 ' HB ' ' SG ' ' A' ' 15' ' ' CYS . 35.6 mt -52.98 138.45 12.14 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.394 0 N-CA-C 108.723 -0.843 . . . . 70.44 108.723 169.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 26.0 m -74.35 161.39 29.91 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 112.088 0.403 . . . . 60.5 112.088 -171.05 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -50.24 -50.03 51.15 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 115.63 -0.714 . . . . 53.42 110.664 -178.53 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.425 ' HE3' ' HB2' ' A' ' 13' ' ' LYS . 38.7 mtmt -62.84 -21.94 66.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 114.633 -1.167 . . . . 75.52 111.63 -176.096 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.591 ' HB2' HG22 ' A' ' 10' ' ' ILE . 29.6 mm-40 -98.59 -33.6 10.91 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.094 -0.503 . . . . 65.23 111.402 -173.493 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.662 ' SG ' ' HB ' ' A' ' 10' ' ' ILE . 61.7 m -80.24 -61.81 1.87 Allowed 'General case' 0 C--O 1.238 0.456 0 CA-C-O 120.87 0.367 . . . . 55.21 110.989 -179.153 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 13.5 t -81.25 81.49 7.41 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-O 121.627 0.727 . . . . 42.34 110.678 -171.548 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 48.7 mm -110.37 -42.76 5.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 N-CA-C 108.169 -1.049 . . . . 74.34 108.169 171.232 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 27.8 m -102.52 133.88 44.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 114.85 -1.068 . . . . 73.51 109.612 173.313 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -104.22 42.71 1.16 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.145 0.498 . . . . 61.2 109.933 -178.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -136.58 96.64 3.38 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.516 -0.765 . . . . 65.4 110.568 -178.626 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 87.9 t80 53.92 81.73 0.09 Allowed 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 115.641 -0.709 . . . . 61.22 110.865 175.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.6 tpp85 -156.03 165.73 35.58 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.113 -0.494 . . . . 74.15 110.439 -177.217 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.09 125.74 27.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.474 -0.33 . . . . 72.32 110.338 176.193 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 55.9 mtm180 -93.81 101.03 13.12 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 110.057 -0.349 . . . . 75.22 110.057 -178.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 61.0 m -89.72 125.03 35.12 Favored 'General case' 0 C--O 1.238 0.46 0 CA-C-N 116.222 -0.445 . . . . 73.43 110.361 179.624 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 61.4 mtp180 -127.54 134.13 49.76 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-N 115.994 -0.548 . . . . 73.12 110.277 178.218 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 67.2 mttm 60.73 32.59 20.24 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 115.835 -0.62 . . . . 75.12 110.866 175.691 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 83.49 -6.04 74.92 Favored Glycine 0 N--CA 1.45 -0.368 0 CA-C-N 115.576 -0.738 . . . . 71.4 113.324 178.658 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -108.01 156.9 18.72 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 117.38 0.59 . . . . 61.31 110.014 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.427 ' N ' ' SG ' ' A' ' 9' ' ' CYS . 9.2 p -106.34 128.16 53.8 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-O 121.178 0.513 . . . . 71.31 111.654 -173.25 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 60.8 t -117.08 138.92 46.17 Favored 'Isoleucine or valine' 0 C--O 1.237 0.446 0 CA-C-N 115.562 -0.745 . . . . 71.25 109.974 178.34 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 31.7 mmt180 -97.01 125.06 41.17 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 121.11 0.481 . . . . 72.35 110.822 -175.488 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 15.4 ttt180 -76.35 129.29 36.39 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.263 -0.881 . . . . 75.21 110.902 178.15 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.416 HH11 ' HD3' ' A' ' 34' ' ' ARG . 7.7 ptp180 -82.07 158.06 23.88 Favored 'General case' 0 C--O 1.236 0.356 0 N-CA-C 109.754 -0.462 . . . . 63.45 109.754 173.032 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 45.8 mm -88.12 -38.95 12.36 Favored 'Isoleucine or valine' 0 C--O 1.236 0.372 0 CA-C-O 120.945 0.402 . . . . 74.43 110.535 -179.399 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.253 1.282 0 N-CA-C 108.933 -0.765 . . . . 74.55 108.933 -177.748 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.059 0 N-CA-C 110.33 -0.248 . . . . 51.55 110.33 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 -109.7 76.15 0.98 Allowed 'General case' 0 C--O 1.234 0.287 0 N-CA-C 109.33 -0.619 . . . . 61.45 109.33 177.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 11.4 tt -72.52 83.06 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 121.976 0.893 . . . . 71.14 109.98 -179.576 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -101.46 106.07 17.15 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.27 -0.877 . . . . 72.04 110.511 -177.332 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 84.5 mt -75.24 100.26 4.29 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.54 -0.541 . . . . 65.04 109.54 176.278 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 p -58.02 115.71 3.05 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 121.169 0.509 . . . . 74.24 110.155 177.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 61.7 tttm -116.31 93.51 39.7 Favored Pre-proline 0 C--N 1.324 -0.506 0 CA-C-N 115.364 -0.834 . . . . 74.44 110.276 -173.002 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 67.9 Cg_endo -85.24 -164.83 0.25 Allowed 'Trans proline' 0 C--N 1.348 0.516 0 C-N-CA 123.033 2.489 . . . . 75.23 112.31 -178.189 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 56.0 m -119.43 -173.04 2.44 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.045 -0.525 . . . . 72.43 110.047 179.399 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 46.2 mm -85.6 154.44 3.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 N-CA-C 109.72 -0.474 . . . . 70.44 109.72 177.599 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 33.2 p -69.56 158.68 34.79 Favored 'General case' 0 C--O 1.24 0.591 0 CA-C-O 121.133 0.492 . . . . 60.5 111.986 -176.695 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.617 ' HA ' ' SG ' ' A' ' 15' ' ' CYS . 11.7 t70 -50.76 -32.06 18.6 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 115.166 -0.925 . . . . 53.42 111.025 178.876 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 58.8 tptt -52.88 -34.58 55.32 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 115.332 -0.849 . . . . 75.52 111.909 -178.77 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -108.39 -37.81 5.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.523 -0.308 . . . . 65.23 111.135 -177.461 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.617 ' SG ' ' HA ' ' A' ' 12' ' ' ASP . 21.1 p -80.26 19.66 0.74 Allowed 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 111.854 0.316 . . . . 55.21 111.854 -176.43 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 29.8 m -57.34 113.19 1.65 Allowed 'General case' 0 CA--C 1.533 0.316 0 N-CA-C 109.23 -0.655 . . . . 42.34 109.23 172.156 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 18.6 pt -67.9 83.99 0.12 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.325 0 CA-C-O 121.844 0.831 . . . . 74.34 113.05 -169.186 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 26.9 m -123.65 14.37 5.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.017 -0.992 . . . . 73.51 109.29 171.043 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.572 ' HG3' ' H ' ' A' ' 20' ' ' ASN . 40.4 tptt -110.09 -176.92 3.12 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 115.128 -0.942 . . . . 61.2 109.372 -176.156 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.572 ' H ' ' HG3' ' A' ' 19' ' ' LYS . 17.6 m120 -81.06 39.28 0.5 Allowed 'General case' 0 N--CA 1.47 0.553 0 CA-C-O 120.961 0.41 . . . . 65.4 111.195 178.39 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 6.6 t80 -151.13 179.59 8.15 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 108.954 -0.758 . . . . 61.22 108.954 179.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 20.4 ptt180 -156.15 103.26 2.18 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-O 121.302 0.572 . . . . 74.15 111.835 -175.361 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.444 ' HA ' ' O ' ' A' ' 31' ' ' VAL . . . -148.32 119.9 8.0 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 115.513 -0.767 . . . . 72.32 110.343 178.4 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 18.1 tpp85 -93.69 110.15 21.78 Favored 'General case' 0 C--N 1.332 -0.184 0 N-CA-C 109.287 -0.634 . . . . 75.22 109.287 177.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.619 ' HA ' ' HA ' ' A' ' 30' ' ' CYS . 50.9 m -84.58 133.59 34.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.295 -0.411 . . . . 73.43 111.673 -174.003 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.406 ' HG2' ' HG2' ' A' ' 27' ' ' LYS . 20.9 ttt180 -159.49 144.85 15.73 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.148 -0.686 . . . . 73.12 109.148 178.743 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.406 ' HG2' ' HG2' ' A' ' 26' ' ' ARG . 34.2 mmtp 58.84 32.77 22.55 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 116.215 -0.448 . . . . 75.12 110.639 -178.764 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 79.97 -11.96 32.64 Favored Glycine 0 CA--C 1.52 0.367 0 CA-C-N 115.847 -0.615 . . . . 71.4 112.934 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 31.2 m-85 -99.33 171.32 8.05 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 110.066 -0.346 . . . . 61.31 110.066 -179.734 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.619 ' HA ' ' HA ' ' A' ' 25' ' ' CYS . 27.0 p -128.36 118.23 22.82 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 110.04 -0.356 . . . . 71.31 110.04 175.813 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.444 ' O ' ' HA ' ' A' ' 23' ' ' ALA . 23.3 t -82.67 102.14 8.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 N-CA-C 109.098 -0.705 . . . . 71.25 109.098 178.163 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 15.7 ptp180 -94.65 116.12 28.37 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.07 -0.968 . . . . 72.35 110.43 -176.55 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 20.1 tpp180 -82.4 94.46 7.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.725 -0.67 . . . . 75.21 110.598 -176.109 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 39.1 ttm180 -98.6 117.13 32.35 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.896 -0.409 . . . . 63.45 109.896 174.775 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 40.1 mt -86.97 63.38 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-O 121.634 0.731 . . . . 74.43 109.533 178.499 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 4.8 tpp180 . . . . . 0 C--O 1.249 1.049 0 CA-C-N 114.857 -1.065 . . . . 74.55 109.018 177.909 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.089 0 CA-C-O 120.904 0.383 . . . . 51.55 110.831 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 47.2 p90 -135.74 12.18 3.42 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 115.951 -0.568 . . . . 61.45 110.238 177.408 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 65.7 mt -74.63 136.04 26.05 Favored 'Isoleucine or valine' 0 C--O 1.233 0.22 0 CA-C-N 115.764 -0.653 . . . . 71.14 110.454 -177.71 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 59.7 tt0 -58.82 -64.68 0.85 Allowed 'General case' 0 C--O 1.234 0.274 0 O-C-N 123.332 0.395 . . . . 72.04 110.496 178.757 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 68.3 tp -163.55 119.95 1.74 Allowed 'General case' 0 C--O 1.234 0.28 0 CA-C-N 116.046 -0.525 . . . . 65.04 110.652 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.0 p -106.89 172.8 6.62 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.768 -0.827 . . . . 74.24 108.768 171.438 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 21.5 pttm -77.51 157.19 80.42 Favored Pre-proline 0 C--O 1.235 0.313 0 N-CA-C 109.888 -0.412 . . . . 74.44 109.888 176.505 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_exo -65.0 -155.01 0.03 OUTLIER 'Trans proline' 0 CA--C 1.535 0.553 0 C-N-CA 122.842 2.362 . . . . 75.23 112.012 176.167 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 59.3 m -113.75 -177.35 3.11 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.95 0.405 . . . . 72.43 110.399 -177.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.614 HD13 ' H ' ' A' ' 10' ' ' ILE . 0.2 OUTLIER -68.99 167.76 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.779 -0.646 . . . . 70.44 110.298 175.116 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 17.1 m -71.8 160.48 32.51 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.238 -0.437 . . . . 60.5 111.108 -177.256 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.646 ' HA ' ' SG ' ' A' ' 15' ' ' CYS . 21.9 p-10 -59.85 -39.43 85.16 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.945 -0.57 . . . . 53.42 111.422 -176.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.465 ' HD3' ' N ' ' A' ' 14' ' ' GLU . 0.0 OUTLIER -66.98 -15.85 63.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.118 -0.492 . . . . 75.52 111.201 177.046 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.465 ' N ' ' HD3' ' A' ' 13' ' ' LYS . 9.3 tp10 -96.58 -38.41 9.98 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.166 -0.47 . . . . 65.23 110.617 -174.614 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.646 ' SG ' ' HA ' ' A' ' 12' ' ' ASP . 4.8 p -73.15 -20.16 60.97 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 116.491 -0.322 . . . . 55.21 111.382 179.582 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 13.6 p -90.88 91.27 8.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.962 0.41 . . . . 42.34 109.969 176.266 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 57.8 mt -96.64 -75.87 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.142 -0.481 . . . . 74.34 111.008 -177.079 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.54 HG22 ' HE ' ' A' ' 22' ' ' ARG . 31.4 m -91.26 145.87 6.93 Favored 'Isoleucine or valine' 0 C--O 1.233 0.22 0 CA-C-N 116.344 -0.389 . . . . 73.51 110.924 -177.087 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 31.9 mtmm -81.81 94.15 6.99 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.714 -0.675 . . . . 61.2 110.722 -177.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -171.41 -77.69 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 114.984 -1.007 . . . . 65.4 108.88 177.752 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 79.6 m-85 -153.55 137.93 16.69 Favored 'General case' 0 CA--C 1.512 -0.484 0 N-CA-C 109.004 -0.739 . . . . 61.22 109.004 173.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.54 ' HE ' HG22 ' A' ' 18' ' ' VAL . 8.9 mmt180 -156.08 166.74 32.55 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 115.627 -0.715 . . . . 74.15 109.978 -173.583 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.72 132.18 48.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.307 -0.406 . . . . 72.32 110.401 -177.626 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 35.2 mmt180 -95.61 117.18 29.98 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.632 -0.507 . . . . 75.22 109.632 -178.055 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.51 ' HB2' ' HA ' ' A' ' 12' ' ' ASP . 61.1 m -103.74 143.71 32.43 Favored 'General case' 0 C--O 1.238 0.466 0 CA-C-O 121.113 0.482 . . . . 73.43 111.202 -174.655 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 28.6 ptt180 -151.83 127.97 10.47 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 115.23 -0.896 . . . . 73.12 109.773 -177.448 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 56.18 32.43 20.2 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 122.9 0.48 . . . . 75.12 111.278 -178.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 85.37 -11.09 61.94 Favored Glycine 0 CA--C 1.521 0.434 0 C-N-CA 121.277 -0.487 . . . . 71.4 113.315 179.247 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 51.0 m-85 -90.62 140.38 29.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 117.187 0.494 . . . . 61.31 109.672 178.663 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 28.6 p -106.58 131.53 53.63 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.997 0.427 . . . . 71.31 110.937 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 33.9 t -103.6 109.79 28.1 Favored 'Isoleucine or valine' 0 C--O 1.237 0.44 0 N-CA-C 109.21 -0.663 . . . . 71.25 109.21 174.702 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 13.7 ptp180 -133.3 119.05 19.25 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.574 -0.739 . . . . 72.35 110.121 -177.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 24.2 mtm180 -119.39 96.13 5.08 Favored 'General case' 0 C--O 1.233 0.215 0 N-CA-C 109.831 -0.433 . . . . 75.21 109.831 178.224 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 22.1 tpp180 -86.48 102.98 14.58 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.215 -0.448 . . . . 63.45 109.825 177.74 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.401 HG12 ' O ' ' A' ' 35' ' ' ILE . 5.2 tt -125.56 80.22 0.67 Allowed 'Isoleucine or valine' 0 N--CA 1.442 -0.873 0 CA-C-O 121.895 0.855 . . . . 74.43 109.276 177.234 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.406 HH11 ' HD2' ' A' ' 36' ' ' ARG . 12.9 mmt180 . . . . . 0 C--O 1.245 0.84 0 CA-C-N 115.091 -0.959 . . . . 74.55 109.319 -178.765 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.876 0 CA-C-O 120.752 0.311 . . . . 51.55 110.679 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 29.0 p90 -125.12 119.39 28.46 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 108.791 -0.818 . . . . 61.45 108.791 177.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 38.0 pt -90.37 34.88 0.09 OUTLIER 'Isoleucine or valine' 0 C--O 1.236 0.357 0 CA-C-O 121.424 0.631 . . . . 71.14 111.369 -173.667 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -117.29 66.4 0.73 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.643 0.735 . . . . 72.04 110.101 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 86.2 mt -78.5 76.24 5.0 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 108.518 -0.919 . . . . 65.04 108.518 173.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.4 t -74.84 139.55 43.28 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.565 -0.743 . . . . 74.24 110.831 -175.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 92.9 mttt -130.12 110.35 16.78 Favored Pre-proline 0 C--N 1.323 -0.554 0 CA-C-N 115.184 -0.916 . . . . 74.44 109.725 179.084 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.452 ' HB3' ' HA ' ' A' ' 29' ' ' TYR . 14.0 Cg_exo -70.37 -151.24 0.03 OUTLIER 'Trans proline' 0 CA--C 1.534 0.52 0 C-N-CA 123.237 2.625 . . . . 75.23 111.739 177.336 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.434 ' HB2' ' HB3' ' A' ' 30' ' ' CYS . 62.9 m -126.67 175.11 8.21 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 116.634 -0.257 . . . . 72.43 110.382 -178.002 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.43 HG22 ' N ' ' A' ' 11' ' ' SER . 23.8 mm -68.13 167.24 1.65 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.443 0 N-CA-C 109.319 -0.623 . . . . 70.44 109.319 177.343 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.43 ' N ' HG22 ' A' ' 10' ' ' ILE . 20.2 m -55.19 160.43 2.16 Favored 'General case' 0 C--O 1.243 0.712 0 CA-C-O 121.714 0.769 . . . . 60.5 112.733 -176.114 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -56.16 -33.24 65.04 Favored 'General case' 0 N--CA 1.461 0.117 0 CA-C-N 115.046 -0.979 . . . . 53.42 111.621 -176.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -55.95 -36.83 68.23 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 121.187 0.518 . . . . 75.52 110.459 177.152 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -80.91 -43.74 19.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.583 -0.735 . . . . 65.23 109.683 -179.761 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 70.7 m -69.41 -15.05 63.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.688 -0.687 . . . . 55.21 111.633 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 45.1 t -67.74 85.46 0.21 Allowed 'General case' 0 C--O 1.236 0.379 0 CA-C-O 121.113 0.483 . . . . 42.34 109.927 178.306 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 31.0 pt -118.53 -168.81 0.47 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.548 0 CA-C-N 115.478 -0.783 . . . . 74.34 110.967 -178.244 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 30.3 m -60.38 153.2 4.82 Favored 'Isoleucine or valine' 0 C--O 1.235 0.317 0 CA-C-N 116.027 -0.533 . . . . 73.51 110.88 177.661 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 35.4 mttm -76.77 -5.66 49.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.265 0.555 . . . . 61.2 110.464 -176.311 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -67.51 -26.12 66.19 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.099 -0.955 . . . . 65.4 110.202 -179.23 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 59.8 m-85 -114.06 145.8 41.09 Favored 'General case' 0 C--O 1.236 0.343 0 N-CA-C 109.043 -0.725 . . . . 61.22 109.043 170.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.592 ' HA ' ' NE ' ' A' ' 22' ' ' ARG . 4.9 mmp_? -114.35 108.22 16.61 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.745 0.783 . . . . 74.15 111.901 -177.327 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -153.98 112.27 3.59 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 114.297 -1.319 . . . . 72.32 108.781 177.143 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 58.6 ttt180 -108.56 100.98 10.17 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.924 0.392 . . . . 75.22 110.224 -175.389 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.559 ' HA ' ' HA ' ' A' ' 30' ' ' CYS . 74.2 m -94.41 145.85 24.48 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.829 -0.623 . . . . 73.43 110.481 179.15 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.747 ' HG3' ' HG3' ' A' ' 27' ' ' LYS . 21.5 tpp180 -170.98 144.62 2.18 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.186 -0.672 . . . . 73.12 109.186 177.378 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.747 ' HG3' ' HG3' ' A' ' 26' ' ' ARG . 26.4 mtpp 58.54 32.35 22.04 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 115.912 -0.585 . . . . 75.12 111.268 175.79 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 86.44 -14.17 55.71 Favored Glycine 0 CA--C 1.522 0.477 0 CA-C-N 115.973 -0.558 . . . . 71.4 113.554 178.37 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.452 ' HA ' ' HB3' ' A' ' 8' ' ' PRO . 74.3 m-85 -103.75 168.87 8.86 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 117.247 0.523 . . . . 61.31 110.217 -178.861 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.559 ' HA ' ' HA ' ' A' ' 25' ' ' CYS . 26.5 p -146.01 121.99 10.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.716 0.293 . . . . 71.31 111.733 -177.203 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 45.2 t -90.2 106.83 17.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 N-CA-C 108.951 -0.759 . . . . 71.25 108.951 171.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 10.1 ptt180 -111.82 116.22 30.32 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.801 -0.636 . . . . 72.35 110.656 -174.545 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.523 ' HE ' ' HA ' ' A' ' 33' ' ' ARG . 2.1 tpm_? -83.87 113.16 20.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.035 -0.53 . . . . 75.21 109.95 179.317 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 61.2 mtp180 -94.05 118.93 32.21 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.819 0.342 . . . . 63.45 110.82 -179.651 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 45.3 mm -74.3 -23.5 18.43 Favored 'Isoleucine or valine' 0 C--O 1.236 0.373 0 N-CA-C 109.137 -0.69 . . . . 74.43 109.137 173.754 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 84.8 mtm180 . . . . . 0 C--O 1.252 1.198 0 CA-C-N 115.0 -1.0 . . . . 74.55 109.416 177.232 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.037 0 N-CA-C 110.257 -0.275 . . . . 51.55 110.257 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 87.3 m-85 -122.2 116.53 24.32 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 108.743 -0.836 . . . . 61.45 108.743 -179.207 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 27.0 pt -86.27 31.35 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 121.427 0.632 . . . . 71.14 111.147 -174.201 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 57.8 tp60 -104.84 121.51 43.81 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.191 -0.913 . . . . 72.04 109.904 -178.233 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 58.5 tp -71.52 96.72 1.56 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.978 0.418 . . . . 65.04 110.584 -179.765 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.9 m -89.78 137.83 32.0 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.969 -0.56 . . . . 74.24 109.81 174.21 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 16.3 ptpt -82.08 138.48 45.93 Favored Pre-proline 0 C--N 1.326 -0.416 0 CA-C-N 116.356 -0.384 . . . . 74.44 110.085 178.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 64.3 Cg_endo -71.44 -177.6 2.51 Favored 'Trans proline' 0 C--N 1.349 0.562 0 C-N-CA 122.705 2.27 . . . . 75.23 112.793 -176.64 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.557 ' SG ' ' N ' ' A' ' 30' ' ' CYS . 35.1 m -113.86 164.9 13.15 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.548 -0.751 . . . . 72.43 110.204 -178.063 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.458 ' O ' ' SG ' ' A' ' 15' ' ' CYS . 9.6 tp -89.1 168.0 1.6 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.638 0 CA-C-N 116.111 -0.495 . . . . 70.44 110.762 -175.637 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.419 ' N ' HG13 ' A' ' 10' ' ' ILE . 15.8 m -58.11 158.65 6.65 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-O 121.411 0.624 . . . . 60.5 112.511 -178.395 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -56.4 -42.42 77.93 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 115.473 -0.785 . . . . 53.42 112.188 -173.163 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.677 ' HE3' ' HA ' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -61.8 -23.05 65.97 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 120.729 0.3 . . . . 75.52 110.894 -179.347 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 34.2 mm-40 -95.93 -23.55 16.81 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.15 -0.477 . . . . 65.23 110.401 178.34 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.458 ' SG ' ' O ' ' A' ' 10' ' ' ILE . 70.8 m -75.82 -5.38 45.63 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.006 -0.543 . . . . 55.21 110.709 175.408 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 20.2 m -71.77 81.81 0.88 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.032 0.444 . . . . 42.34 110.408 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.505 HG13 ' HG2' ' A' ' 19' ' ' LYS . 8.0 tp -120.37 121.96 66.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.49 . . . . 74.34 109.969 178.355 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 58.3 t -84.5 107.55 15.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.098 -0.501 . . . . 73.51 110.439 -178.278 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.505 ' HG2' HG13 ' A' ' 17' ' ' ILE . 34.6 mmtp -138.5 -171.76 3.13 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-N 115.999 -0.546 . . . . 61.2 109.92 179.456 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -69.15 -12.99 62.16 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-O 121.45 0.643 . . . . 65.4 110.091 177.121 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 93.3 m-85 -125.26 173.88 8.49 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 115.17 -0.923 . . . . 61.22 108.996 172.692 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 11.6 ptt85 -145.61 151.26 37.8 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 110.199 -0.297 . . . . 74.15 110.199 173.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.678 ' HB2' ' HG2' ' A' ' 32' ' ' ARG . . . -118.51 159.3 23.77 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 115.974 -0.557 . . . . 72.32 111.923 -172.748 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 29.8 mmt180 -126.89 126.85 43.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.375 -0.83 . . . . 75.22 108.785 172.603 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.683 ' SG ' ' HB3' ' A' ' 30' ' ' CYS . 64.1 m -115.28 133.85 55.66 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.767 0.318 . . . . 73.43 111.365 -174.386 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 16.2 ptp180 -157.05 141.89 16.92 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 115.742 -0.663 . . . . 73.12 109.941 176.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 46.1 mtmt 51.93 33.11 11.01 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 123.215 0.606 . . . . 75.12 111.678 -179.322 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 75.25 20.14 79.19 Favored Glycine 0 CA--C 1.522 0.517 0 C-N-CA 121.102 -0.57 . . . . 71.4 113.183 178.483 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.446 ' O ' ' HA ' ' A' ' 25' ' ' CYS . 68.9 m-85 -122.74 128.38 50.43 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.901 -0.407 . . . . 61.31 109.901 174.678 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.683 ' HB3' ' SG ' ' A' ' 25' ' ' CYS . 15.0 p -113.21 118.07 33.65 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 110.153 -0.314 . . . . 71.31 110.153 177.749 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 60.1 t -109.65 127.91 66.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.262 -0.426 . . . . 71.25 110.549 -179.47 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.678 ' HG2' ' HB2' ' A' ' 23' ' ' ALA . 78.3 mtt85 -105.24 109.78 21.89 Favored 'General case' 0 C--O 1.236 0.368 0 N-CA-C 109.476 -0.564 . . . . 72.35 109.476 175.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -76.3 130.79 38.65 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.664 -0.495 . . . . 75.21 109.664 -178.555 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 9.2 mmm180 -65.76 92.55 0.15 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.14 -0.482 . . . . 63.45 110.707 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 58.6 mt -60.37 -36.6 70.17 Favored 'Isoleucine or valine' 0 C--O 1.235 0.292 0 CA-C-O 121.581 0.705 . . . . 74.43 109.239 172.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.406 HH11 ' HD3' ' A' ' 36' ' ' ARG . 8.9 tpt180 . . . . . 0 C--O 1.25 1.082 0 CA-C-N 114.768 -1.106 . . . . 74.55 108.359 173.324 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.036 0 CA-C-O 120.759 0.314 . . . . 51.55 110.56 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 24.8 p90 -145.99 136.43 24.0 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.54 -0.3 . . . . 61.45 110.193 178.274 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 31.7 pt -87.81 41.29 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 121.055 0.455 . . . . 71.14 112.137 -173.457 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 -78.16 77.66 4.66 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.466 0.651 . . . . 72.04 109.495 175.62 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 58.4 tp -99.22 139.82 34.3 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.353 -0.839 . . . . 65.04 110.899 -176.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.7 t -129.77 164.36 24.22 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.242 -0.651 . . . . 74.24 109.242 175.447 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 48.4 mtmt -117.66 150.01 46.09 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.737 -0.21 . . . . 74.44 110.481 -175.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -61.23 174.09 2.15 Favored 'Trans proline' 0 C--N 1.349 0.571 0 C-N-CA 122.968 2.445 . . . . 75.23 112.338 177.473 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.3 p -123.52 -179.72 4.45 Favored 'General case' 0 C--O 1.237 0.429 0 CA-C-N 116.162 -0.472 . . . . 72.43 111.036 -179.163 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.402 HG22 ' N ' ' A' ' 11' ' ' SER . 14.3 mm -81.75 162.5 3.43 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.418 0 CA-C-N 116.04 -0.527 . . . . 70.44 110.893 -173.743 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.402 ' N ' HG22 ' A' ' 10' ' ' ILE . 38.4 p -66.95 164.54 17.38 Favored 'General case' 0 C--O 1.242 0.709 0 N-CA-C 113.189 0.811 . . . . 60.5 113.189 -173.834 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.898 ' HA ' ' SG ' ' A' ' 15' ' ' CYS . 10.9 p-10 -59.75 -34.19 72.64 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 114.895 -1.048 . . . . 53.42 110.979 -179.669 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 38.4 ttmt -59.21 -21.83 60.1 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 115.825 -0.625 . . . . 75.52 111.066 179.21 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -102.89 -46.78 4.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 65.23 110.515 -176.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.898 ' SG ' ' HA ' ' A' ' 12' ' ' ASP . 6.7 p -70.36 -29.84 66.62 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 116.499 -0.319 . . . . 55.21 111.6 -177.676 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.801 ' HA ' ' HD3' ' A' ' 19' ' ' LYS . 71.1 m -131.72 117.16 18.24 Favored 'General case' 0 CA--C 1.53 0.186 0 CA-C-O 120.756 0.312 . . . . 42.34 111.2 179.558 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 8.9 tt -156.91 116.88 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.264 -0.425 . . . . 74.34 110.199 175.256 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 10.1 m 40.58 29.34 0.11 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.438 0 C-N-CA 124.369 1.068 . . . . 73.51 113.57 177.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.801 ' HD3' ' HA ' ' A' ' 16' ' ' SER . 20.1 ptmt -108.46 163.11 13.5 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.631 -0.713 . . . . 61.2 109.931 -179.087 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -80.97 -28.2 35.72 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 120.79 0.329 . . . . 65.4 110.497 -178.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.605 ' HB2' ' HE2' ' A' ' 19' ' ' LYS . 61.6 m-85 -75.85 154.28 36.23 Favored 'General case' 0 C--O 1.233 0.216 0 N-CA-C 109.392 -0.596 . . . . 61.22 109.392 176.728 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 91.1 mtt180 -135.64 116.66 14.29 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.873 0.368 . . . . 74.15 111.643 -169.574 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -137.76 128.8 27.41 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.696 -0.683 . . . . 72.32 110.042 176.638 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 27.5 ttm180 -101.26 100.94 11.52 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.218 0.532 . . . . 75.22 109.832 176.319 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.706 ' SG ' ' SG ' ' A' ' 30' ' ' CYS . 59.4 m -93.82 121.07 34.9 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.474 -0.785 . . . . 73.43 109.73 179.376 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.63 ' HG3' ' HG3' ' A' ' 27' ' ' LYS . 26.2 tpt180 -158.13 144.65 17.54 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.508 -0.314 . . . . 73.12 110.688 -174.582 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.63 ' HG3' ' HG3' ' A' ' 26' ' ' ARG . 95.0 mttt 60.38 32.62 20.69 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 116.092 -0.504 . . . . 75.12 110.937 175.657 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 84.82 -12.99 55.66 Favored Glycine 0 N--CA 1.453 -0.227 0 CA-C-N 115.861 -0.609 . . . . 71.4 112.736 178.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 64.8 m-85 -102.07 172.28 7.0 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.857 -0.423 . . . . 61.31 109.857 -178.036 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.706 ' SG ' ' SG ' ' A' ' 25' ' ' CYS . 74.8 m -144.43 117.92 9.12 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.366 -0.379 . . . . 71.31 110.361 177.475 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 4.9 p -109.21 114.96 48.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 121.313 0.578 . . . . 71.25 110.229 176.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 38.2 ptt180 -114.87 118.34 33.24 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.852 -0.613 . . . . 72.35 109.836 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 10.8 tpt85 -84.97 96.33 9.34 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.998 -0.547 . . . . 75.21 110.25 -173.404 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 45.9 ttt-85 -87.11 98.4 11.27 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.005 -0.739 . . . . 63.45 109.005 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 61.4 mt -56.13 -55.11 20.27 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.328 0 CA-C-N 116.251 -0.431 . . . . 74.43 111.694 -174.584 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 . . . . . 0 C--O 1.254 1.291 0 CA-C-O 118.869 -0.586 . . . . 74.55 109.902 179.63 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.07 0 N-CA-C 110.366 -0.235 . . . . 51.55 110.366 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -104.98 76.15 1.23 Allowed 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 108.754 -0.832 . . . . 61.45 108.754 179.705 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 52.1 mt -89.3 82.97 2.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.462 -0.79 . . . . 71.14 110.699 -174.465 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 16.9 mm100 -109.97 83.39 1.75 Allowed 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.318 -0.623 . . . . 72.04 109.318 172.267 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 84.1 mt -68.95 118.55 12.01 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-N 116.004 -0.544 . . . . 65.04 110.713 -177.335 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.4 m -69.85 138.28 52.43 Favored 'General case' 0 C--O 1.237 0.413 0 N-CA-C 109.442 -0.577 . . . . 74.24 109.442 175.649 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 65.7 pttt -106.89 154.81 40.01 Favored Pre-proline 0 C--O 1.236 0.374 0 CA-C-N 116.608 -0.269 . . . . 74.44 111.1 -176.808 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_exo -68.04 171.04 13.11 Favored 'Trans proline' 0 C--O 1.238 0.488 0 C-N-CA 122.743 2.295 . . . . 75.23 111.17 171.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 58.1 m -113.76 -178.59 3.41 Favored 'General case' 0 C--O 1.239 0.521 0 CA-C-O 120.925 0.393 . . . . 72.43 111.024 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.535 HG22 ' H ' ' A' ' 11' ' ' SER . 40.0 mt -71.07 174.76 0.69 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.446 0 N-CA-C 108.562 -0.903 . . . . 70.44 108.562 174.097 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.535 ' H ' HG22 ' A' ' 10' ' ' ILE . 5.8 m -55.38 155.7 5.0 Favored 'General case' 0 C--O 1.24 0.604 0 CA-C-O 121.114 0.483 . . . . 60.5 111.551 -178.55 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -58.36 -31.36 67.55 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 115.738 -0.664 . . . . 53.42 110.838 -175.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 52.4 mtpt -62.33 -27.95 69.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.39 -0.823 . . . . 75.52 110.752 179.741 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 34.9 mm-40 -102.0 -20.99 14.58 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.991 -0.55 . . . . 65.23 110.843 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.463 ' SG ' ' O ' ' A' ' 10' ' ' ILE . 98.0 m -60.13 -11.74 6.82 Favored 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 112.458 0.54 . . . . 55.21 112.458 -179.279 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 24.4 p -69.16 81.56 0.34 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.291 0.567 . . . . 42.34 109.807 176.205 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 68.2 mt -98.67 -55.28 6.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.525 -0.761 . . . . 74.34 110.005 179.795 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.709 HG12 ' H ' ' A' ' 20' ' ' ASN . 46.8 t -61.33 136.46 24.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 115.617 -0.719 . . . . 73.51 110.534 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 16.1 tppt? -69.59 -3.27 14.22 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-O 121.249 0.547 . . . . 61.2 111.493 -176.547 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.709 ' H ' HG12 ' A' ' 18' ' ' VAL . 19.8 m120 -97.78 3.11 50.07 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.749 -0.659 . . . . 65.4 109.946 177.296 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 88.4 m-85 53.91 17.77 1.43 Allowed 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 123.678 0.791 . . . . 61.22 112.557 178.321 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 6.9 tpp180 -93.59 85.01 4.76 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-O 121.428 0.632 . . . . 74.15 110.483 -176.756 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -164.23 153.21 13.47 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 114.918 -1.037 . . . . 72.32 109.328 176.198 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.407 HH11 ' HD3' ' A' ' 24' ' ' ARG . 45.5 ttp180 -147.56 132.72 18.34 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.855 0.36 . . . . 75.22 111.172 174.391 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.468 ' HA ' ' O ' ' A' ' 29' ' ' TYR . 81.1 m -118.09 135.14 54.38 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.772 -0.649 . . . . 73.43 110.362 174.565 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 19.3 tpt180 -149.71 136.28 19.24 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.018 -0.734 . . . . 73.12 109.018 179.03 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 60.4 mttp 51.62 32.4 9.1 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 121.419 0.628 . . . . 75.12 109.869 -175.129 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 84.88 -27.42 4.9 Favored Glycine 0 N--CA 1.451 -0.341 0 CA-C-N 115.272 -0.876 . . . . 71.4 113.053 -178.467 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.468 ' O ' ' HA ' ' A' ' 25' ' ' CYS . 8.2 t80 -69.01 146.87 52.35 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 117.088 0.444 . . . . 61.31 110.621 -176.187 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 3.0 m -122.92 137.31 54.98 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.21 -0.45 . . . . 71.31 110.802 -171.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 8.1 p -129.19 129.57 67.63 Favored 'Isoleucine or valine' 0 C--O 1.24 0.6 0 N-CA-C 109.98 -0.378 . . . . 71.25 109.98 174.048 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 5.6 ptp180 -129.88 132.75 46.52 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 115.849 -0.614 . . . . 72.35 110.467 -178.055 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 5.3 mmp_? -118.72 105.73 11.86 Favored 'General case' 0 C--O 1.236 0.342 0 N-CA-C 109.859 -0.423 . . . . 75.21 109.859 178.129 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.466 ' HG3' ' O ' ' A' ' 34' ' ' ARG . 13.9 ptm180 -81.97 85.8 6.65 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-O 121.553 0.692 . . . . 63.45 110.151 178.794 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.452 ' O ' HG12 ' A' ' 35' ' ' ILE . 12.9 tt -75.27 33.27 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.543 0.691 0 CA-C-O 121.623 0.725 . . . . 74.43 110.832 178.59 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.422 ' H ' ' C ' ' A' ' 34' ' ' ARG . 12.8 ptm180 . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.718 -0.658 . . . . 74.55 109.555 -174.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.009 0 CA-C-O 120.742 0.306 . . . . 51.55 110.592 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -92.1 67.06 5.02 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 108.859 -0.793 . . . . 61.45 108.859 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 68.2 mt -67.11 128.97 31.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.135 -0.939 . . . . 71.14 110.845 -173.756 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 89.3 mt-30 -126.61 105.23 8.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 72.04 110.171 178.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 91.9 mt -93.76 140.9 29.11 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.306 -0.627 . . . . 65.04 109.306 175.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.3 m -79.54 132.17 36.23 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.02 0.438 . . . . 74.24 110.57 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.449 ' HA ' ' HD3' ' A' ' 8' ' ' PRO . 0.0 OUTLIER -99.5 143.33 26.24 Favored Pre-proline 0 C--N 1.324 -0.536 0 CA-C-N 115.723 -0.672 . . . . 74.44 109.807 -179.021 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.449 ' HD3' ' HA ' ' A' ' 7' ' ' LYS . 21.2 Cg_exo -66.15 166.11 22.11 Favored 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 122.599 2.199 . . . . 75.23 112.048 178.657 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 2.3 p -143.98 -177.21 5.32 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.079 -0.509 . . . . 72.43 110.654 -177.394 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.459 ' CG2' ' HB2' ' A' ' 14' ' ' GLU . 16.9 mt -75.59 160.86 4.96 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.435 0 CA-C-N 116.163 -0.471 . . . . 70.44 110.933 -174.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 16.0 p -89.73 177.6 6.48 Favored 'General case' 0 C--O 1.246 0.9 0 N-CA-C 113.143 0.794 . . . . 60.5 113.143 -173.186 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -49.86 -43.31 49.0 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 115.251 -0.886 . . . . 53.42 110.763 -176.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.5 tppp? -49.88 -33.31 16.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 114.991 -1.004 . . . . 75.52 111.934 -175.632 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.459 ' HB2' ' CG2' ' A' ' 10' ' ' ILE . 42.0 mt-10 -116.74 -8.95 11.35 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 116.541 -0.299 . . . . 65.23 111.441 -174.217 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 71.5 m -80.96 -11.78 59.51 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 116.51 -0.314 . . . . 55.21 110.774 170.426 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 35.9 m -68.56 85.57 0.3 Allowed 'General case' 0 CA--C 1.535 0.402 0 CA-C-O 120.953 0.406 . . . . 42.34 110.465 178.213 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.681 HG22 ' H ' ' A' ' 19' ' ' LYS . 50.0 mm -121.25 147.85 24.92 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.32 0 CA-C-N 115.831 -0.622 . . . . 74.34 109.953 -179.476 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 60.3 t -58.72 -30.51 42.28 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.335 0 CA-C-O 120.962 0.41 . . . . 73.51 111.326 -179.224 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.681 ' H ' HG22 ' A' ' 17' ' ' ILE . 54.7 mtmt -78.54 -3.72 45.08 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 116.181 -0.463 . . . . 61.2 111.435 -179.04 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 85.0 m-20 -110.0 82.56 1.61 Allowed 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 109.312 -0.625 . . . . 65.4 109.312 178.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 74.0 m-85 -57.18 -31.59 65.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.515 -0.766 . . . . 61.22 111.225 -178.15 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 3.9 tmm_? -156.03 106.56 2.43 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.564 -0.532 . . . . 74.15 109.564 177.087 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -154.21 148.28 25.74 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.0 -0.545 . . . . 72.32 110.365 179.184 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 72.1 mtt85 -144.21 123.77 13.23 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 122.838 0.455 . . . . 75.22 109.829 178.545 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.466 ' SG ' ' SG ' ' A' ' 30' ' ' CYS . 31.9 m -119.37 120.45 36.93 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.469 -0.567 . . . . 73.43 109.469 -179.213 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 15.5 ttm180 -147.84 138.6 23.22 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 121.109 -0.236 . . . . 73.12 111.1 -169.638 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 68.4 mttm 54.97 33.19 19.63 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 115.872 -0.604 . . . . 75.12 111.651 177.534 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 93.02 -15.45 62.83 Favored Glycine 0 CA--C 1.516 0.118 0 CA-C-N 115.87 -0.605 . . . . 71.4 113.096 176.36 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 71.3 m-85 -93.74 150.87 20.04 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 110.092 -0.336 . . . . 61.31 110.092 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.466 ' SG ' ' SG ' ' A' ' 25' ' ' CYS . 84.5 m -124.95 123.3 39.59 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-O 120.904 0.383 . . . . 71.31 110.843 176.846 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 48.9 t -110.24 117.54 54.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.721 -0.672 . . . . 71.25 109.779 177.092 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 30.2 ttm180 -136.94 145.5 44.31 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.06 -0.718 . . . . 72.35 109.06 179.145 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.423 HH11 ' HD2' ' A' ' 33' ' ' ARG . 16.7 tpt180 -68.21 89.41 0.32 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.942 0.401 . . . . 75.21 110.023 179.469 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.419 HH11 ' HD3' ' A' ' 34' ' ' ARG . 14.0 ttm-85 -70.01 91.1 0.66 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.96 -0.564 . . . . 63.45 110.122 179.77 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 68.7 mt -65.72 -43.91 93.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.177 -0.465 . . . . 74.43 110.743 179.762 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 23.3 tpp180 . . . . . 0 C--O 1.25 1.13 0 CA-C-O 118.541 -0.742 . . . . 74.55 109.667 179.695 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 0.978 0 CA-C-O 120.698 0.285 . . . . 51.55 110.305 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -120.14 94.31 4.34 Favored 'General case' 0 C--O 1.236 0.345 0 N-CA-C 109.732 -0.47 . . . . 61.45 109.732 179.247 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 7.3 tp -77.55 122.41 32.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 120.965 0.412 . . . . 71.14 110.279 -178.667 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 19.8 mm-40 -131.78 121.58 24.39 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.229 -0.441 . . . . 72.04 110.332 -179.173 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 91.1 mt -113.96 148.85 36.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.113 -0.494 . . . . 65.04 109.812 178.175 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.9 p -116.22 174.82 5.85 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 116.376 -0.375 . . . . 74.24 110.374 -179.743 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 20.1 ptmt -108.03 101.09 39.67 Favored Pre-proline 0 CA--C 1.533 0.314 0 CA-C-N 116.477 -0.329 . . . . 74.44 110.568 179.368 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 69.8 Cg_endo -85.85 -175.25 1.8 Allowed 'Trans proline' 0 C--O 1.236 0.423 0 C-N-CA 122.932 2.421 . . . . 75.23 112.018 178.36 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.447 ' O ' ' HA2' ' A' ' 28' ' ' GLY . 0.8 OUTLIER -144.66 -175.24 4.58 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.233 -0.44 . . . . 72.43 110.949 -178.173 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.0 pp -86.48 179.74 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 N-CA-C 112.631 0.604 . . . . 70.44 112.631 -174.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 54.9 p -94.91 178.35 5.6 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-N 115.5 -0.773 . . . . 60.5 111.256 -177.616 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.561 ' HA ' ' HB3' ' A' ' 15' ' ' CYS . 27.8 m-20 -50.83 -29.67 12.33 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 115.727 -0.67 . . . . 53.42 111.428 178.517 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 32.9 mmtp -65.05 -7.81 13.61 Favored 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 112.431 0.53 . . . . 75.52 112.431 -175.196 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -130.59 -28.8 2.01 Favored 'General case' 0 N--CA 1.47 0.539 0 N-CA-C 109.279 -0.637 . . . . 65.23 109.279 172.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.69 ' SG ' ' HB1' ' A' ' 23' ' ' ALA . 44.4 t -66.4 -51.72 54.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.321 -0.854 . . . . 55.21 110.514 177.249 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 18.9 t -96.42 83.52 3.55 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-O 121.502 0.668 . . . . 42.34 109.999 -179.366 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.421 HG23 HG13 ' A' ' 18' ' ' VAL . 7.3 tp -131.65 -34.02 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.216 -0.902 . . . . 74.34 109.534 175.338 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.421 HG13 HG23 ' A' ' 17' ' ' ILE . 27.1 m -91.88 140.94 15.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.814 -0.63 . . . . 73.51 110.451 177.835 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 16.9 ptpt -97.93 11.78 36.29 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.881 -0.599 . . . . 61.2 110.184 176.591 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -72.18 -37.4 69.31 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 115.684 -0.689 . . . . 65.4 110.651 179.654 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 43.0 p90 -146.91 176.97 9.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.986 -0.552 . . . . 61.22 110.482 -179.003 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.641 ' HG3' ' HB2' ' A' ' 33' ' ' ARG . 13.4 ptt180 -109.24 102.2 11.16 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.859 -0.61 . . . . 74.15 110.621 -177.006 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.69 ' HB1' ' SG ' ' A' ' 15' ' ' CYS . . . -107.05 123.03 47.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.784 -0.644 . . . . 72.32 110.475 -179.71 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.97 103.17 11.62 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.228 -0.656 . . . . 75.22 109.228 177.291 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.448 ' HA ' ' HA ' ' A' ' 30' ' ' CYS . 59.4 m -121.2 118.43 29.62 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.874 -0.417 . . . . 73.43 109.874 -178.832 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 19.1 tpt180 -143.07 141.53 31.29 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.757 -0.201 . . . . 73.12 110.842 -174.417 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 33.0 mtmm 54.35 33.01 17.53 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 123.337 0.655 . . . . 75.12 112.136 178.408 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.447 ' HA2' ' O ' ' A' ' 9' ' ' CYS . . . 76.34 14.71 82.09 Favored Glycine 0 CA--C 1.517 0.199 0 CA-C-N 116.176 -0.465 . . . . 71.4 113.271 177.166 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 42.0 t80 -124.38 128.05 48.49 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.496 -0.927 . . . . 61.31 108.496 175.381 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.448 ' HA ' ' HA ' ' A' ' 25' ' ' CYS . 4.8 p -120.56 133.44 55.39 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.569 0.581 . . . . 71.31 112.569 -169.879 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 10.1 m -133.3 119.1 34.1 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.249 0 CA-C-N 115.677 -0.692 . . . . 71.25 109.983 172.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 20.1 ptt180 -101.05 118.65 37.41 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 116.253 -0.431 . . . . 72.35 110.181 179.168 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.641 ' HB2' ' HG3' ' A' ' 22' ' ' ARG . 9.1 mmm180 -86.34 139.16 31.23 Favored 'General case' 0 C--O 1.235 0.299 0 N-CA-C 109.395 -0.594 . . . . 75.21 109.395 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 81.9 mtm180 -85.74 159.07 19.86 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.292 0.568 . . . . 63.45 111.904 -175.073 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 64.3 mt -121.56 -45.24 2.25 Favored 'Isoleucine or valine' 0 C--O 1.236 0.36 0 N-CA-C 107.982 -1.118 . . . . 74.43 107.982 171.8 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 49.7 ttt180 . . . . . 0 C--O 1.253 1.252 0 CA-C-N 114.882 -1.054 . . . . 74.55 108.966 168.857 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.093 0 N-CA-C 110.314 -0.254 . . . . 51.55 110.314 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 -88.17 56.14 3.72 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.003 -0.74 . . . . 61.45 109.003 -178.694 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.6 pp -65.49 164.26 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.357 -0.838 . . . . 71.14 111.476 -173.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 65.6 tt0 -68.59 103.32 1.67 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.877 -0.601 . . . . 72.04 111.436 -176.01 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 66.6 mt -92.44 -16.11 26.29 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 115.952 -0.567 . . . . 65.04 110.584 175.273 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.0 m -80.04 129.11 34.24 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.513 -0.551 . . . . 74.24 109.513 177.837 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 48.7 mtmt -115.88 151.08 46.02 Favored Pre-proline 0 C--N 1.323 -0.544 0 CA-C-N 116.267 -0.424 . . . . 74.44 111.396 -171.341 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.44 ' HB2' ' O ' ' A' ' 28' ' ' GLY . 85.5 Cg_endo -80.22 -158.9 0.1 OUTLIER 'Trans proline' 0 C--N 1.35 0.654 0 C-N-CA 122.781 2.321 . . . . 75.23 110.95 171.697 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.404 ' HB3' HD13 ' A' ' 10' ' ' ILE . 56.3 m -136.31 -173.72 3.48 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-O 120.627 0.251 . . . . 72.43 110.425 179.633 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.594 HG12 ' SG ' ' A' ' 15' ' ' CYS . 0.2 OUTLIER -55.38 156.11 1.07 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.409 0 CA-C-N 115.932 -0.576 . . . . 70.44 111.22 176.884 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 61.7 p -71.71 174.33 6.95 Favored 'General case' 0 C--O 1.241 0.619 0 N-CA-C 112.562 0.578 . . . . 60.5 112.562 -171.564 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -50.61 -50.04 55.13 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 115.149 -0.932 . . . . 53.42 111.134 -177.78 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 24.2 tptm -61.32 -24.45 66.45 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.475 -0.784 . . . . 75.52 111.398 -177.625 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -94.12 -29.3 15.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.314 -0.403 . . . . 65.23 110.954 -174.623 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.594 ' SG ' HG12 ' A' ' 10' ' ' ILE . 77.9 m -82.18 79.69 8.6 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-O 120.97 0.414 . . . . 55.21 110.576 177.308 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.4 ' O ' ' HB2' ' A' ' 20' ' ' ASN . 40.0 t -95.39 165.3 12.43 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.874 -0.603 . . . . 42.34 110.634 177.642 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 39.8 pt -78.06 1.36 2.35 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.295 0 CA-C-N 116.097 -0.502 . . . . 74.34 111.681 -176.524 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 57.4 t -48.06 -34.22 4.44 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.52 0 CA-C-O 121.002 0.43 . . . . 73.51 111.533 -179.47 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -148.75 6.84 0.73 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.986 -0.552 . . . . 61.2 110.374 175.56 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.49 ' HB3' ' HB3' ' A' ' 23' ' ' ALA . 91.1 m-20 -121.42 74.9 1.14 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.012 -0.54 . . . . 65.4 110.284 -176.645 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 69.1 t80 -74.33 -41.73 60.62 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.26 -0.644 . . . . 61.22 109.26 177.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 65.6 mtt180 -106.79 85.24 2.12 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-N 115.638 -0.71 . . . . 74.15 109.632 175.765 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.49 ' HB3' ' HB3' ' A' ' 20' ' ' ASN . . . -164.14 131.35 3.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.641 -0.709 . . . . 72.32 110.148 179.467 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 40.2 ttt85 -123.66 100.99 7.06 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 110.01 -0.367 . . . . 75.22 110.01 176.563 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.449 ' HA ' ' O ' ' A' ' 29' ' ' TYR . 60.7 m -106.4 116.25 31.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.796 -0.638 . . . . 73.43 109.384 175.199 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 58.2 mtp85 -137.61 130.89 30.79 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.425 -0.583 . . . . 73.12 109.425 174.527 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm 57.9 33.04 22.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.828 -0.624 . . . . 75.12 110.059 -177.684 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.44 ' O ' ' HB2' ' A' ' 8' ' ' PRO . . . 82.89 -15.88 29.85 Favored Glycine 0 C--N 1.331 0.271 0 CA-C-N 115.618 -0.719 . . . . 71.4 113.041 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.449 ' O ' ' HA ' ' A' ' 25' ' ' CYS . 81.3 m-85 -81.32 128.03 33.38 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 117.051 0.426 . . . . 61.31 109.875 -178.763 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 8.7 p -120.13 128.86 53.83 Favored 'General case' 0 C--O 1.238 0.487 0 CA-C-N 115.976 -0.556 . . . . 71.31 111.768 -170.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 57.6 t -129.66 121.93 53.87 Favored 'Isoleucine or valine' 0 C--O 1.235 0.315 0 CA-C-N 115.812 -0.631 . . . . 71.25 109.824 174.685 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.408 HH11 ' HD3' ' A' ' 32' ' ' ARG . 9.7 mmm180 -91.91 109.71 21.05 Favored 'General case' 0 C--O 1.233 0.187 0 N-CA-C 109.284 -0.636 . . . . 72.35 109.284 177.366 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.443 ' CZ ' ' HA ' ' A' ' 33' ' ' ARG . 2.5 tpm_? -82.95 86.02 7.05 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.949 0.404 . . . . 75.21 110.769 -175.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 22.4 ptt180 -101.6 168.38 9.52 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 109.353 -0.61 . . . . 63.45 109.353 173.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 11.8 tt -62.62 -32.91 57.08 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.508 0 N-CA-C 111.96 0.356 . . . . 74.43 111.96 -173.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 . . . . . 0 C--O 1.248 0.994 0 CA-C-O 118.968 -0.539 . . . . 74.55 109.841 179.96 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.153 0 CA-C-O 120.52 0.2 . . . . 51.55 110.466 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 -125.19 78.72 1.74 Allowed 'General case' 0 CA--C 1.522 -0.129 0 N-CA-C 109.245 -0.65 . . . . 61.45 109.245 -178.387 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 26.3 pt -110.04 165.36 5.74 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.771 0 CA-C-N 116.047 -0.524 . . . . 71.14 110.512 -179.642 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 17.0 mm-40 54.67 50.36 16.05 Favored 'General case' 0 CA--C 1.533 0.299 0 O-C-N 123.589 0.555 . . . . 72.04 111.359 177.36 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.426 HD22 ' H ' ' A' ' 5' ' ' LEU . 3.1 mm? -63.27 103.39 0.49 Allowed 'General case' 0 C--O 1.235 0.329 0 CA-C-N 115.894 -0.593 . . . . 65.04 110.125 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.1 m -108.58 161.11 15.38 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.087 -0.506 . . . . 74.24 110.314 -178.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 13.2 mptt -72.56 156.62 90.02 Favored Pre-proline 0 C--O 1.236 0.392 0 CA-C-N 116.311 -0.404 . . . . 74.44 110.482 178.533 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_exo -49.87 167.3 0.21 Allowed 'Trans proline' 0 C--N 1.352 0.737 0 C-N-CA 123.148 2.565 . . . . 75.23 113.712 179.683 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.84 ' SG ' HD13 ' A' ' 10' ' ' ILE . 52.7 t -144.18 -179.95 6.83 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.404 -0.816 . . . . 72.43 109.593 -173.441 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.84 HD13 ' SG ' ' A' ' 9' ' ' CYS . 0.2 OUTLIER -76.76 172.84 1.05 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.292 0 CA-C-O 120.841 0.353 . . . . 70.44 111.265 -176.261 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 20.0 m -91.6 168.48 11.47 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 116.225 -0.443 . . . . 60.5 111.173 -176.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.435 ' N ' ' HB2' ' A' ' 25' ' ' CYS . 25.0 t70 -53.23 -50.57 64.48 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 112.747 0.647 . . . . 53.42 112.747 -169.778 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.477 ' NZ ' ' HB3' ' A' ' 13' ' ' LYS . 4.5 mmmp? -55.63 -31.06 61.99 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 116.336 -0.393 . . . . 75.52 110.608 179.4 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -85.69 -32.53 21.89 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.029 -0.532 . . . . 65.23 109.989 -175.738 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.599 ' SG ' HG12 ' A' ' 10' ' ' ILE . 57.4 m -68.71 -27.2 65.73 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 115.99 -0.55 . . . . 55.21 110.537 177.358 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 18.0 m -80.74 96.13 6.84 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.785 -0.643 . . . . 42.34 110.202 179.176 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.649 HG12 HG22 ' A' ' 18' ' ' VAL . 10.2 tt -148.93 123.5 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.362 -0.381 . . . . 74.34 110.592 179.819 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.649 HG22 HG12 ' A' ' 17' ' ' ILE . 24.2 m 37.21 -65.17 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.542 0.65 0 N-CA-C 115.767 1.766 . . . . 73.51 115.767 -177.508 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.551 ' N ' ' O ' ' A' ' 17' ' ' ILE . 0.9 OUTLIER -84.62 89.39 7.46 Favored 'General case' 0 C--N 1.315 -0.919 0 N-CA-C 109.175 -0.676 . . . . 61.2 109.175 176.195 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 56.1 t30 -82.81 75.57 9.7 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-O 121.515 0.674 . . . . 65.4 110.155 -175.411 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 57.5 t80 -64.89 163.2 14.82 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.199 -0.91 . . . . 61.22 109.912 174.503 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 43.7 ttm180 -81.3 88.91 6.05 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.986 -0.552 . . . . 74.15 109.965 -178.127 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -139.97 175.73 9.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.133 0.492 . . . . 72.32 111.524 -175.715 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 49.8 ttm-85 -151.05 139.45 20.41 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.629 -0.878 . . . . 75.22 108.629 171.615 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.463 ' HA ' ' O ' ' A' ' 29' ' ' TYR . 21.5 m -130.07 134.79 47.61 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.726 0.298 . . . . 73.43 110.466 179.7 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.578 ' HG2' ' HG3' ' A' ' 27' ' ' LYS . 68.7 ttt180 -160.39 143.89 13.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.349 -0.387 . . . . 73.12 109.979 -179.394 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.578 ' HG3' ' HG2' ' A' ' 26' ' ' ARG . 48.2 mtmt 57.33 32.47 21.81 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-O 121.148 0.499 . . . . 75.12 111.013 179.351 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 72.58 20.33 79.48 Favored Glycine 0 N--CA 1.451 -0.338 0 CA-C-N 115.819 -0.628 . . . . 71.4 113.241 -179.672 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.463 ' O ' ' HA ' ' A' ' 25' ' ' CYS . 93.4 m-85 -115.33 127.88 55.72 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.749 -0.463 . . . . 61.31 109.749 175.538 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 89.6 m -106.73 118.1 35.8 Favored 'General case' 0 C--O 1.235 0.306 0 N-CA-C 109.723 -0.473 . . . . 71.31 109.723 175.412 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 9.1 p -121.95 136.71 57.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 121.093 0.473 . . . . 71.25 110.996 -179.482 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 94.4 mtt180 -83.87 113.65 21.09 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.861 -0.609 . . . . 72.35 109.43 176.012 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 85.1 mtm180 -80.52 63.55 5.01 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.619 0.724 . . . . 75.21 110.421 -179.61 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 21.5 tpp180 -91.87 84.08 5.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.405 -0.816 . . . . 63.45 110.272 -179.158 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 49.9 mm -89.96 -43.86 14.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 N-CA-C 108.974 -0.751 . . . . 74.43 108.974 172.435 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 . . . . . 0 C--O 1.246 0.892 0 CA-C-N 115.081 -0.963 . . . . 74.55 108.671 176.142 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.93 0 CA-C-O 121.016 0.436 . . . . 51.55 110.872 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 71.1 t80 -152.57 102.81 2.75 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 108.633 -0.877 . . . . 61.45 108.633 178.179 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 10.7 tt -89.31 121.12 39.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 121.106 0.479 . . . . 71.14 111.032 -175.452 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -127.18 141.72 51.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.825 -0.625 . . . . 72.04 109.534 175.399 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 84.1 mt -90.07 174.71 7.49 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.284 -0.416 . . . . 65.04 110.927 -176.306 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.1 t -84.78 149.06 26.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.034 -0.53 . . . . 74.24 109.67 177.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.526 ' HD2' ' N ' ' A' ' 7' ' ' LYS . 0.1 OUTLIER -101.56 146.87 32.99 Favored Pre-proline 0 C--N 1.326 -0.436 0 CA-C-N 116.446 -0.343 . . . . 74.44 110.419 -176.02 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_endo -64.06 176.4 2.53 Favored 'Trans proline' 0 C--N 1.352 0.746 0 C-N-CA 122.728 2.285 . . . . 75.23 112.402 178.082 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 28.1 m -123.09 -171.67 2.34 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.735 -0.666 . . . . 72.43 110.683 -173.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.452 HG13 ' SG ' ' A' ' 15' ' ' CYS . 24.6 pt -69.76 157.97 6.31 Favored 'Isoleucine or valine' 0 C--O 1.233 0.235 0 CA-C-N 115.918 -0.583 . . . . 70.44 110.472 173.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 9.2 p -92.61 173.56 7.72 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-O 121.005 0.431 . . . . 60.5 111.742 -176.276 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.518 ' O ' ' HB2' ' A' ' 16' ' ' SER . 11.2 t70 -50.73 -30.65 14.43 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 115.34 -0.845 . . . . 53.42 111.149 -178.739 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 23.1 tptm -48.79 -37.59 19.57 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 115.868 -0.605 . . . . 75.52 111.156 177.795 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 30.9 mm-40 -104.59 -46.91 4.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 65.23 111.003 -179.233 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.452 ' SG ' HG13 ' A' ' 10' ' ' ILE . 4.6 p -97.81 86.35 3.75 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.374 0.607 . . . . 55.21 109.959 -178.343 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.518 ' HB2' ' O ' ' A' ' 12' ' ' ASP . 31.1 t -131.85 -174.89 3.55 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.403 -0.817 . . . . 42.34 110.867 -178.866 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.523 ' O ' HG12 ' A' ' 18' ' ' VAL . 13.3 tt -64.55 148.43 11.84 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.575 0 CA-C-N 115.794 -0.639 . . . . 74.34 112.341 -174.827 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.523 HG12 ' O ' ' A' ' 17' ' ' ILE . 2.8 p 58.32 9.91 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.478 0.934 0 C-N-CA 124.981 1.313 . . . . 73.51 113.362 172.731 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -84.14 164.03 19.43 Favored 'General case' 0 C--N 1.327 -0.382 0 O-C-N 121.963 -0.461 . . . . 61.2 110.347 176.15 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -47.2 -59.97 2.8 Favored 'General case' 0 N--CA 1.465 0.317 0 O-C-N 123.547 0.529 . . . . 65.4 112.282 -172.19 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 6.1 p90 -84.8 129.34 34.83 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.224 0.535 . . . . 61.22 111.085 -175.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 13.9 ttm180 -81.46 93.69 6.68 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 115.398 -0.819 . . . . 74.15 110.084 -175.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -149.08 147.19 28.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 72.32 110.701 -179.4 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 22.9 mmt180 -122.76 114.32 20.38 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.682 -0.488 . . . . 75.22 109.682 175.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 64.0 m -101.92 145.86 28.65 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.027 -0.533 . . . . 73.43 110.475 -179.372 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 33.7 ttm-85 -145.8 127.29 15.05 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.408 -0.59 . . . . 73.12 109.408 179.815 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 46.6 mmtm 50.93 32.89 7.92 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 116.272 -0.422 . . . . 75.12 111.186 178.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 99.9 -27.2 21.36 Favored Glycine 0 CA--C 1.52 0.374 0 CA-C-N 115.793 -0.639 . . . . 71.4 113.532 175.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -87.83 139.82 30.14 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 117.619 0.709 . . . . 61.31 110.765 -176.352 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 28.4 p -106.53 128.35 54.04 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-O 120.878 0.37 . . . . 71.31 111.131 -177.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 61.6 t -114.49 120.17 63.45 Favored 'Isoleucine or valine' 0 C--O 1.235 0.299 0 CA-C-N 115.767 -0.651 . . . . 71.25 109.286 174.759 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 43.2 mtm180 -116.66 114.9 24.7 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 110.15 -0.315 . . . . 72.35 110.15 -178.559 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 6.6 tpp180 -121.93 88.03 2.86 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.612 -0.514 . . . . 75.21 109.612 177.435 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 44.2 ptt85 -84.54 -4.18 58.82 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 115.819 -0.628 . . . . 63.45 110.388 -179.166 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 56.8 mt -80.16 69.75 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 121.971 0.891 . . . . 74.43 110.103 -175.581 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 30.7 mmm180 . . . . . 0 C--O 1.249 1.058 0 CA-C-N 114.46 -1.245 . . . . 74.55 109.255 172.81 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.094 0 N-CA-C 110.081 -0.34 . . . . 51.55 110.081 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 62.2 t80 -112.63 86.44 2.36 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 108.027 -1.101 . . . . 61.45 108.027 177.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 11.0 tt -110.32 130.12 64.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.583 -0.735 . . . . 71.14 111.865 -171.118 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -148.14 142.52 26.31 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 115.551 -0.749 . . . . 72.04 109.145 171.2 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 94.7 mt -62.43 142.24 57.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.943 -0.571 . . . . 65.04 112.355 -171.69 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.7 t -76.76 153.37 35.04 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 115.676 -0.693 . . . . 74.24 109.722 176.656 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.638 ' HD2' ' N ' ' A' ' 7' ' ' LYS . 0.1 OUTLIER -95.22 148.81 35.26 Favored Pre-proline 0 C--O 1.236 0.362 0 CA-C-N 116.511 -0.313 . . . . 74.44 111.162 -172.95 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.437 ' HD3' ' HA ' ' A' ' 7' ' ' LYS . 13.5 Cg_exo -69.37 -171.49 0.44 Allowed 'Trans proline' 0 C--N 1.355 0.879 0 C-N-CA 123.364 2.709 . . . . 75.23 112.707 -178.564 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 64.4 m -119.76 -172.03 2.25 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.508 -0.769 . . . . 72.43 110.999 -176.463 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 30.4 pt -65.5 177.51 0.32 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.272 0 CA-C-N 116.027 -0.533 . . . . 70.44 111.418 178.771 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 14.4 p -96.78 161.57 13.81 Favored 'General case' 0 C--O 1.242 0.667 0 CA-C-N 116.075 -0.511 . . . . 60.5 111.484 -177.258 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.667 ' HA ' ' SG ' ' A' ' 15' ' ' CYS . 30.8 t70 -56.04 -30.81 62.45 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 115.229 -0.896 . . . . 53.42 111.223 179.686 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 23.3 tptm -59.61 -35.26 73.99 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 116.016 -0.538 . . . . 75.52 110.213 178.579 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 31.8 mm-40 -84.64 -47.28 10.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.883 -0.599 . . . . 65.23 109.86 -178.692 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.667 ' SG ' ' HA ' ' A' ' 12' ' ' ASP . 28.1 p -88.62 48.71 1.67 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.185 0.517 . . . . 55.21 109.766 178.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 23.3 t -88.21 -170.4 2.95 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.78 -0.645 . . . . 42.34 110.831 -175.213 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.763 HG12 HG12 ' A' ' 18' ' ' VAL . 11.6 tt -54.26 123.24 4.87 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.338 0 CA-C-N 116.017 -0.538 . . . . 74.34 111.738 -177.588 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.763 HG12 HG12 ' A' ' 17' ' ' ILE . 7.8 p 32.4 91.05 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 C-N-CA 124.802 1.241 . . . . 73.51 114.116 177.644 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 34.0 mmtp -103.03 -172.78 2.17 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 114.935 -1.029 . . . . 61.2 109.166 172.711 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -70.08 -10.33 58.37 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-O 121.192 0.52 . . . . 65.4 110.109 176.541 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 34.4 p90 -132.07 139.35 48.49 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.569 -0.741 . . . . 61.22 109.686 177.325 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 40.8 ttm180 -86.7 99.37 11.71 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.907 -0.405 . . . . 74.15 109.907 -179.668 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -145.26 139.47 27.15 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.262 -0.427 . . . . 72.32 110.655 -178.289 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 31.0 mmt180 -130.88 122.99 28.01 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.263 -0.426 . . . . 75.22 109.963 175.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 37.4 m -88.32 145.93 25.57 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.03 -0.532 . . . . 73.43 110.512 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.408 HH11 ' HD3' ' A' ' 26' ' ' ARG . 14.6 ttm180 -137.27 101.14 4.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.281 -0.418 . . . . 73.12 110.294 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 43.4 mmtm 54.48 40.33 31.73 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 121.229 0.538 . . . . 75.12 111.308 176.324 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 100.25 -23.04 37.42 Favored Glycine 0 N--CA 1.453 -0.205 0 CA-C-N 115.743 -0.662 . . . . 71.4 112.851 178.238 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -80.79 165.72 21.63 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.713 -0.476 . . . . 61.31 109.713 176.598 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 13.8 p -136.35 123.33 21.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.849 0.357 . . . . 71.31 110.793 177.318 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 50.3 t -110.76 119.37 59.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.933 -0.576 . . . . 71.25 109.843 176.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 77.7 mtm180 -115.91 109.7 17.96 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.601 -0.518 . . . . 72.35 109.601 177.64 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.2 tpp180 -105.51 87.26 2.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.965 -0.561 . . . . 75.21 111.223 -172.524 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 21.4 ptt180 -97.6 -4.83 36.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.444 -0.798 . . . . 63.45 109.36 171.613 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 22.3 mt -82.01 64.95 0.39 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.195 0 CA-C-N 115.211 -0.904 . . . . 74.43 109.646 -178.156 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 25.4 mmm180 . . . . . 0 C--O 1.246 0.906 0 CA-C-N 115.626 -0.715 . . . . 74.55 109.836 178.731 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.193 0 CA-C-O 120.912 0.387 . . . . 51.55 110.57 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -125.09 88.55 2.9 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.381 -0.6 . . . . 61.45 109.381 177.319 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 42.2 mm -99.45 85.55 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.929 -0.578 . . . . 71.14 109.514 -179.097 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 31.6 mm-40 -110.71 99.91 8.77 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.046 -0.524 . . . . 72.04 109.836 177.748 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 91.2 mt -95.28 95.77 8.72 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.715 -0.675 . . . . 65.04 110.24 -177.475 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.0 t -86.19 -168.42 2.23 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.607 -0.724 . . . . 74.24 109.437 177.458 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.531 ' NZ ' ' HB2' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -144.54 149.39 43.74 Favored Pre-proline 0 C--N 1.327 -0.383 0 CA-C-O 120.562 0.22 . . . . 74.44 110.839 -179.692 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 7' ' ' LYS . 17.0 Cg_exo -68.8 -176.03 1.11 Allowed 'Trans proline' 0 C--N 1.348 0.533 0 C-N-CA 122.737 2.291 . . . . 75.23 110.674 169.355 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 53.4 m -113.97 171.69 7.44 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.786 0.327 . . . . 72.43 110.556 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.52 ' O ' ' SG ' ' A' ' 15' ' ' CYS . 18.5 tt -62.92 167.86 0.82 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.597 0 CA-C-N 115.598 -0.728 . . . . 70.44 110.849 -177.463 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -56.43 155.43 7.11 Favored 'General case' 0 CA--C 1.543 0.686 0 CA-C-O 121.723 0.773 . . . . 60.5 112.938 -175.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 18.9 p-10 -53.41 -47.09 69.88 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 114.768 -1.105 . . . . 53.42 112.688 -170.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 31.5 mtmm -65.38 -23.28 66.93 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.154 -0.476 . . . . 75.52 110.815 -176.431 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -90.22 -31.61 16.94 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.11 -0.496 . . . . 65.23 110.01 -177.219 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.52 ' SG ' ' O ' ' A' ' 10' ' ' ILE . 59.4 m -72.47 -19.38 61.57 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 115.8 -0.636 . . . . 55.21 110.384 174.326 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 38.7 t -74.04 81.2 1.72 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.936 -0.574 . . . . 42.34 110.553 -179.479 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.405 ' H ' HH22 ' A' ' 22' ' ' ARG . 6.9 tp -94.84 134.98 30.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.583 -0.735 . . . . 74.34 109.323 173.251 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 13.4 m -105.5 76.43 0.45 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.339 0 CA-C-O 121.249 0.547 . . . . 73.51 111.497 -176.67 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.41 ' HD3' ' HA ' ' A' ' 19' ' ' LYS . 38.9 mmtm -148.39 56.71 1.05 Allowed 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 115.934 -0.576 . . . . 61.2 110.777 178.166 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 43.5 m-80 73.88 -64.81 0.38 Allowed 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 123.639 0.776 . . . . 65.4 111.664 175.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 7.7 p90 -62.78 137.62 58.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.872 0.368 . . . . 61.22 110.223 -179.7 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.431 ' HA ' ' CZ ' ' A' ' 22' ' ' ARG . 2.5 tpm_? -113.54 97.02 6.18 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.123 0.487 . . . . 74.15 111.93 -174.389 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -96.12 123.29 39.67 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.999 -1.112 . . . . 72.32 107.999 166.34 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.87 116.81 17.68 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.976 0.417 . . . . 75.22 109.929 -176.691 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.642 ' SG ' ' HB3' ' A' ' 30' ' ' CYS . 71.7 m -91.8 113.32 25.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.902 -0.59 . . . . 73.43 110.873 179.281 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 15.4 ptt180 -112.71 121.15 43.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.914 -0.584 . . . . 73.12 109.831 176.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 56.2 mtpt 56.5 32.91 21.64 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 116.071 -0.513 . . . . 75.12 110.921 178.274 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 92.1 -23.26 27.66 Favored Glycine 0 C--N 1.334 0.42 0 CA-C-N 115.935 -0.575 . . . . 71.4 112.504 179.139 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 95.7 m-85 -89.8 128.02 36.07 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 109.989 -0.374 . . . . 61.31 109.989 -178.265 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.642 ' HB3' ' SG ' ' A' ' 25' ' ' CYS . 1.8 p -106.7 129.17 54.64 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.346 -0.388 . . . . 71.31 111.298 -171.688 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 34.8 m -108.81 141.17 24.79 Favored 'Isoleucine or valine' 0 C--O 1.236 0.351 0 CA-C-N 116.011 -0.54 . . . . 71.25 110.23 176.106 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 13.2 ptt180 -114.1 109.59 18.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.208 0.528 . . . . 72.35 110.324 179.635 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.469 ' HD2' ' OXT' ' A' ' 36' ' ' ARG . 31.3 mmt180 -95.18 136.07 35.97 Favored 'General case' 0 C--O 1.237 0.429 0 CA-C-N 115.658 -0.701 . . . . 75.21 110.779 -177.174 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.464 ' HG3' ' H ' ' A' ' 35' ' ' ILE . 29.4 ptt180 -157.57 -58.57 0.08 Allowed 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 116.434 -0.348 . . . . 63.45 111.418 -179.019 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.464 ' H ' ' HG3' ' A' ' 34' ' ' ARG . 3.9 tp -81.39 -33.16 12.37 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.5 0 N-CA-C 108.619 -0.882 . . . . 74.43 108.619 174.691 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.469 ' OXT' ' HD2' ' A' ' 33' ' ' ARG . 31.8 ttm180 . . . . . 0 C--O 1.252 1.219 0 CA-C-N 114.274 -1.33 . . . . 74.55 107.53 171.621 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.078 0 N-CA-C 110.057 -0.349 . . . . 51.55 110.057 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 61.5 m-85 -89.02 60.69 5.54 Favored 'General case' 0 C--O 1.233 0.211 0 N-CA-C 108.746 -0.835 . . . . 61.45 108.746 -177.204 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 32.0 pt -72.33 140.12 18.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.104 -0.953 . . . . 71.14 111.373 -173.613 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 52.0 mt-30 -123.99 128.79 49.9 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.855 -0.611 . . . . 72.04 109.886 178.628 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 46.1 tp -96.11 102.9 14.75 Favored 'General case' 0 C--O 1.237 0.428 0 N-CA-C 109.649 -0.5 . . . . 65.04 109.649 176.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.408 ' O ' ' HD3' ' A' ' 8' ' ' PRO . 32.3 t -74.34 154.3 38.93 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.846 -0.615 . . . . 74.24 110.162 -177.87 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 56.8 tptt -101.27 103.64 27.73 Favored Pre-proline 0 C--O 1.236 0.368 0 CA-C-N 116.295 -0.411 . . . . 74.44 110.337 178.206 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.408 ' HD3' ' O ' ' A' ' 6' ' ' SER . 61.0 Cg_endo -91.86 -169.18 0.26 Allowed 'Trans proline' 0 N--CA 1.457 -0.649 0 C-N-CA 122.971 2.447 . . . . 75.23 111.43 174.84 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 97.0 m -146.77 158.76 43.99 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.207 -0.451 . . . . 72.43 110.349 177.828 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.421 HG22 ' N ' ' A' ' 11' ' ' SER . 26.8 mm -87.34 165.96 2.02 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.315 0 N-CA-C 108.954 -0.758 . . . . 70.44 108.954 177.844 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.421 ' N ' HG22 ' A' ' 10' ' ' ILE . 32.4 p -55.65 168.42 0.42 Allowed 'General case' 0 C--O 1.243 0.756 0 CA-C-O 121.834 0.826 . . . . 60.5 112.912 -174.55 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -55.36 -31.06 61.45 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 114.959 -1.018 . . . . 53.42 110.86 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.457 ' NZ ' ' HB3' ' A' ' 13' ' ' LYS . 8.3 mtpm? -57.46 -34.34 68.9 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 115.737 -0.665 . . . . 75.52 111.291 177.814 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.2 tp10 -88.84 -42.21 12.01 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 115.977 -0.556 . . . . 65.23 110.263 -179.556 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 90.5 m -60.41 -31.01 69.98 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 116.037 -0.529 . . . . 55.21 111.379 -179.535 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 11.3 p -70.65 93.28 0.91 Allowed 'General case' 0 C--O 1.235 0.328 0 CA-C-O 121.068 0.461 . . . . 42.34 110.421 177.544 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 9.8 tp -130.94 160.05 42.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.612 -0.722 . . . . 74.34 109.246 -179.814 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.563 HG12 ' HG2' ' A' ' 19' ' ' LYS . 48.4 t -56.3 136.65 18.83 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.335 0 O-C-N 123.228 0.33 . . . . 73.51 111.385 -177.55 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.563 ' HG2' HG12 ' A' ' 18' ' ' VAL . 13.7 mmmm 59.87 38.95 20.96 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 115.611 -0.722 . . . . 61.2 111.928 -179.511 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 58.8 t30 -137.66 101.92 4.61 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 108.742 -0.836 . . . . 65.4 108.742 177.029 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 84.9 m-85 -52.62 171.38 0.06 Allowed 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 114.564 -1.198 . . . . 61.22 111.704 179.15 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 21.0 mmm180 -81.31 114.73 20.29 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.559 0.695 . . . . 74.15 112.71 -168.094 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -123.86 144.5 49.71 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 114.526 -1.216 . . . . 72.32 108.369 174.412 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.49 100.94 13.13 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.956 0.407 . . . . 75.22 109.979 -171.313 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 39.9 m -104.29 128.25 52.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.733 -0.667 . . . . 73.43 110.018 177.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.529 ' HG2' ' HG3' ' A' ' 27' ' ' LYS . 65.2 ttt180 -168.43 145.09 3.85 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 116.37 -0.377 . . . . 73.12 110.099 -177.462 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.529 ' HG3' ' HG2' ' A' ' 26' ' ' ARG . 54.2 mtpt 62.4 32.9 16.63 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 122.928 0.491 . . . . 75.12 110.942 177.105 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 78.53 -0.97 73.95 Favored Glycine 0 CA--C 1.519 0.282 0 CA-C-N 115.878 -0.601 . . . . 71.4 112.959 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -106.46 157.89 17.31 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.755 0.312 . . . . 61.31 110.287 179.753 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 4.9 p -135.99 117.71 15.02 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-N 116.131 -0.486 . . . . 71.31 110.03 178.231 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 59.3 t -112.25 122.58 66.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.259 -0.428 . . . . 71.25 110.659 -177.12 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.489 ' HD3' ' N ' ' A' ' 32' ' ' ARG . 0.5 OUTLIER -93.9 118.78 31.94 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.033 -0.729 . . . . 72.35 109.033 176.513 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 33.9 mtp-105 -58.3 133.61 55.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.075 -0.511 . . . . 75.21 110.819 -176.38 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 6.8 ptm180 -87.44 152.08 22.53 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.968 -0.56 . . . . 63.45 110.402 -177.718 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 13.0 tt -54.35 -37.04 35.76 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.432 0 C-N-CA 122.978 0.511 . . . . 74.43 111.879 -177.737 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 54.5 mtp180 . . . . . 0 C--O 1.246 0.871 0 CA-C-O 118.538 -0.744 . . . . 74.55 109.713 -179.384 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.029 0 N-CA-C 110.499 -0.186 . . . . 51.55 110.499 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -136.0 72.97 1.44 Allowed 'General case' 0 C--O 1.233 0.229 0 CA-C-O 121.16 0.505 . . . . 61.45 109.692 178.592 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 31.1 pt -75.44 156.31 6.04 Favored 'Isoleucine or valine' 0 C--O 1.236 0.355 0 CA-C-N 115.638 -0.71 . . . . 71.14 110.69 -178.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -111.71 131.74 55.1 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.062 -0.517 . . . . 72.04 109.714 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.435 ' H ' HD23 ' A' ' 5' ' ' LEU . 2.5 pt? -82.42 143.77 30.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.02 0.438 . . . . 65.04 111.203 -176.422 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 44.4 m -113.91 139.81 48.89 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 108.93 -0.767 . . . . 74.24 108.93 175.002 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.565 ' H ' ' HD3' ' A' ' 7' ' ' LYS . 0.2 OUTLIER -134.69 158.63 74.63 Favored Pre-proline 0 C--N 1.327 -0.384 0 N-CA-C 110.12 -0.326 . . . . 74.44 110.12 -175.661 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 61.8 Cg_endo -72.51 -168.2 0.38 Allowed 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 122.352 2.035 . . . . 75.23 111.905 176.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 92.3 m -114.12 -171.92 2.0 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.209 -0.451 . . . . 72.43 110.337 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.44 HD13 ' HB3' ' A' ' 14' ' ' GLU . 1.6 pp -76.32 179.03 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.922 -0.581 . . . . 70.44 111.681 178.276 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 14.0 m -72.81 158.65 35.15 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-N 115.984 -0.553 . . . . 60.5 111.55 -176.555 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -56.17 -37.22 69.27 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 116.023 -0.535 . . . . 53.42 111.142 -176.433 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 46.6 mmtm -61.16 -29.86 70.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.972 -0.558 . . . . 75.52 110.118 178.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.44 ' HB3' HD13 ' A' ' 10' ' ' ILE . 6.7 tp10 -89.15 -22.34 22.88 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 115.667 -0.697 . . . . 65.23 109.884 178.421 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 65.9 m -71.91 10.37 0.72 Allowed 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 116.022 -0.535 . . . . 55.21 111.772 177.449 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 29.2 t -68.25 81.71 0.24 Allowed 'General case' 0 CA--C 1.533 0.315 0 CA-C-O 121.05 0.452 . . . . 42.34 110.436 179.427 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 66.5 mt -91.6 116.89 33.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.831 -0.622 . . . . 74.34 109.678 177.568 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 25.3 t -82.53 73.4 0.82 Allowed 'Isoleucine or valine' 0 C--O 1.238 0.468 0 CA-C-O 121.492 0.663 . . . . 73.51 110.41 -179.08 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -141.94 179.16 7.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.128 -0.942 . . . . 61.2 109.458 177.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -77.06 -25.59 52.58 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.735 -0.469 . . . . 65.4 109.735 176.839 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 96.0 m-85 -75.99 137.82 40.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.668 -0.696 . . . . 61.22 109.861 176.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 15.6 tpp180 -128.39 133.0 48.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.475 -0.329 . . . . 74.15 110.174 -178.467 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -114.74 172.49 7.0 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.306 -0.406 . . . . 72.32 110.785 -179.04 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 40.2 mmm-85 -122.89 127.89 49.58 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.136 -0.69 . . . . 75.22 109.136 178.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 67.6 m -125.28 134.08 52.42 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.769 0.319 . . . . 73.43 110.585 179.452 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 55.7 ttt180 -158.11 133.12 8.57 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.505 -0.554 . . . . 73.12 109.505 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.568 ' NZ ' ' HB3' ' A' ' 27' ' ' LYS . 3.2 mmmp? 54.98 32.34 17.87 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-O 121.172 0.51 . . . . 75.12 110.098 -176.732 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 77.9 -19.33 4.34 Favored Glycine 0 CA--C 1.522 0.504 0 CA-C-N 115.82 -0.627 . . . . 71.4 112.72 -177.341 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 7.9 t80 -68.14 134.27 50.27 Favored 'General case' 0 C--O 1.236 0.382 0 O-C-N 122.483 -0.422 . . . . 61.31 110.342 -179.454 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.1 p -111.24 118.69 36.61 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.053 -0.521 . . . . 71.31 110.956 -176.545 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 61.7 t -113.74 139.95 36.69 Favored 'Isoleucine or valine' 0 C--O 1.233 0.232 0 CA-C-N 115.633 -0.712 . . . . 71.25 109.569 178.027 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.483 ' HG3' ' HB3' ' A' ' 34' ' ' ARG . 28.5 ptt180 -140.31 146.46 38.54 Favored 'General case' 0 C--O 1.235 0.336 0 N-CA-C 110.353 -0.24 . . . . 72.35 110.353 -177.679 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.463 ' HG3' ' O ' ' A' ' 33' ' ' ARG . 32.0 ptt85 -75.28 91.58 2.69 Favored 'General case' 0 CA--C 1.53 0.203 0 N-CA-C 108.708 -0.849 . . . . 75.21 108.708 171.637 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.483 ' HB3' ' HG3' ' A' ' 32' ' ' ARG . 32.6 ptt180 -102.34 144.83 30.33 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.826 -0.625 . . . . 63.45 111.959 -170.313 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.541 HG23 ' HG3' ' A' ' 36' ' ' ARG . 5.2 tp -98.06 -20.42 5.6 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.99 0 N-CA-C 108.222 -1.029 . . . . 74.43 108.222 165.491 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.541 ' HG3' HG23 ' A' ' 35' ' ' ILE . 18.7 mtp180 . . . . . 0 C--O 1.247 0.924 0 CA-C-N 114.602 -1.181 . . . . 74.55 109.481 179.75 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.09 0 N-CA-C 110.451 -0.203 . . . . 51.55 110.451 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 99.7 m-85 -130.51 104.67 7.37 Favored 'General case' 0 C--O 1.235 0.336 0 N-CA-C 109.705 -0.48 . . . . 61.45 109.705 -179.745 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 61.9 mt -76.42 90.87 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 120.999 0.428 . . . . 71.14 109.994 178.53 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.466 ' H ' ' CD ' ' A' ' 4' ' ' GLN . 0.0 OUTLIER -71.49 86.85 0.87 Allowed 'General case' 0 CA--C 1.531 0.244 0 CA-C-O 121.604 0.716 . . . . 72.04 110.093 178.329 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.0 tt -74.69 117.22 16.28 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.322 -0.854 . . . . 65.04 110.152 -178.654 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.1 m -150.26 131.84 14.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.875 -0.602 . . . . 74.24 109.665 175.013 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.48 ' O ' ' SG ' ' A' ' 30' ' ' CYS . 67.0 mttm -118.54 124.2 28.66 Favored Pre-proline 0 C--N 1.32 -0.677 0 CA-C-N 115.755 -0.657 . . . . 74.44 110.034 -175.824 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.558 ' HA ' ' O ' ' A' ' 28' ' ' GLY . 15.5 Cg_endo -56.26 126.76 23.41 Favored 'Trans proline' 0 C--N 1.352 0.746 0 C-N-CA 122.685 2.256 . . . . 75.23 111.587 -179.17 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.669 ' SG ' ' SG ' ' A' ' 25' ' ' CYS . 19.8 p -122.08 170.8 9.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.983 0.42 . . . . 72.43 111.471 -177.134 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.621 HG22 ' H ' ' A' ' 11' ' ' SER . 6.2 mm -87.09 177.25 0.61 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.613 0 CA-C-N 115.848 -0.615 . . . . 70.44 110.033 -174.779 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.621 ' H ' HG22 ' A' ' 10' ' ' ILE . 13.8 m -55.38 162.57 1.48 Allowed 'General case' 0 CA--C 1.538 0.482 0 N-CA-C 112.554 0.575 . . . . 60.5 112.554 -176.42 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -54.94 -35.25 64.03 Favored 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 112.798 0.666 . . . . 53.42 112.798 -172.708 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.41 ' HE2' ' HB3' ' A' ' 13' ' ' LYS . 16.8 ptpt -61.24 -22.81 65.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.806 0.336 . . . . 75.52 111.261 179.816 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 25.8 mm-40 -92.49 -40.31 10.9 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.306 -0.627 . . . . 65.23 109.306 174.201 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.499 ' HB2' ' HB2' ' A' ' 25' ' ' CYS . 34.3 t -51.81 -54.36 29.78 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 114.685 -1.143 . . . . 55.21 111.094 -178.522 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.521 ' HB3' ' HB3' ' A' ' 23' ' ' ALA . 35.4 p -120.14 89.13 3.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.026 -0.534 . . . . 42.34 110.714 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 10.1 tt -122.0 -42.8 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.876 -0.602 . . . . 74.34 109.587 173.541 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.7 p -79.12 -39.3 21.19 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.187 0 CA-C-N 115.959 -0.564 . . . . 73.51 110.532 177.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 54.8 mtmt -135.81 102.72 5.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.798 -0.637 . . . . 61.2 109.936 179.645 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.516 ' HA ' ' HB2' ' A' ' 16' ' ' SER . 2.4 p-10 -104.3 80.18 1.68 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.332 0.587 . . . . 65.4 110.773 -178.243 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 5.1 p90 -113.79 -68.18 0.94 Allowed 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 115.54 -0.755 . . . . 61.22 109.779 176.087 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 69.3 mtp180 -151.21 85.41 1.33 Allowed 'General case' 0 C--O 1.235 0.33 0 N-CA-C 109.604 -0.517 . . . . 74.15 109.604 176.685 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.521 ' HB3' ' HB3' ' A' ' 16' ' ' SER . . . -142.02 118.68 11.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.791 -0.641 . . . . 72.32 109.67 179.073 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 78.5 mtp180 -125.6 100.93 6.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.031 0.444 . . . . 75.22 110.289 -177.243 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.669 ' SG ' ' SG ' ' A' ' 9' ' ' CYS . 63.0 m -113.49 143.35 44.67 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 108.843 -0.799 . . . . 73.43 108.843 175.491 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 20.6 ttt180 -170.87 126.87 0.72 Allowed 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.935 -0.306 . . . . 73.12 111.321 -172.201 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 52.3 mttm 54.98 34.94 23.49 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 115.83 -0.623 . . . . 75.12 112.046 177.367 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.558 ' O ' ' HA ' ' A' ' 8' ' ' PRO . . . 94.05 -24.83 24.9 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.99 -0.624 . . . . 71.4 112.093 179.142 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 44.5 m-85 -76.66 152.61 35.73 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 110.132 -0.322 . . . . 61.31 110.132 -178.333 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.48 ' SG ' ' O ' ' A' ' 7' ' ' LYS . 31.0 m -134.07 129.7 36.4 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 116.243 -0.435 . . . . 71.31 111.003 -174.298 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 48.5 t -132.58 114.32 22.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.043 -0.526 . . . . 71.25 109.683 173.462 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.3 tmm_? -141.84 113.28 7.67 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 107.87 -1.159 . . . . 72.35 107.87 178.769 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.475 ' HG2' ' H ' ' A' ' 34' ' ' ARG . 11.0 ttt180 -134.11 -168.6 2.16 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.049 0.452 . . . . 75.21 111.176 -170.407 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.475 ' H ' ' HG2' ' A' ' 33' ' ' ARG . 26.8 ptt180 -103.74 -165.97 1.21 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.176 -0.92 . . . . 63.45 110.251 -177.539 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 13.6 tt -53.63 -23.85 8.59 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.504 0 C-N-CA 123.501 0.721 . . . . 74.43 112.129 179.453 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.552 ' NE ' ' HA ' ' A' ' 36' ' ' ARG . 2.8 mmp_? . . . . . 0 C--O 1.246 0.898 0 CA-C-O 118.245 -0.883 . . . . 74.55 110.13 178.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.488 ' HB1' HD13 ' A' ' 3' ' ' ILE . . . . . . . . 0 N--CA 1.481 1.105 0 N-CA-C 110.234 -0.284 . . . . 51.55 110.234 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -109.69 23.7 14.06 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 120.703 0.287 . . . . 61.45 111.218 -175.004 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.488 HD13 ' HB1' ' A' ' 1' ' ' ALA . 2.0 mp -72.04 108.04 3.3 Favored 'Isoleucine or valine' 0 C--O 1.236 0.361 0 N-CA-C 110.015 -0.365 . . . . 71.14 110.015 178.185 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -89.05 160.65 16.97 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.257 -0.429 . . . . 72.04 109.914 177.322 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.408 HD22 ' N ' ' A' ' 5' ' ' LEU . 3.4 mm? -75.32 117.81 17.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.451 -0.34 . . . . 65.04 110.33 -178.669 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.2 m -57.96 147.89 27.62 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-N 116.151 -0.477 . . . . 74.24 110.929 178.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 26.7 mtpp -117.52 96.43 49.34 Favored Pre-proline 0 C--N 1.331 -0.197 0 CA-C-N 116.105 -0.498 . . . . 74.44 111.265 179.375 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_endo -80.74 -166.19 0.39 Allowed 'Trans proline' 0 N--CA 1.461 -0.392 0 C-N-CA 122.84 2.36 . . . . 75.23 110.249 169.314 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.423 ' SG ' ' N ' ' A' ' 10' ' ' ILE . 51.7 t -113.94 -178.36 3.35 Favored 'General case' 0 C--N 1.313 -0.988 0 N-CA-C 108.564 -0.902 . . . . 72.43 108.564 178.13 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.748 HD13 ' HG2' ' A' ' 14' ' ' GLU . 12.8 tt -98.86 161.06 3.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 C-N-CA 120.648 -0.421 . . . . 70.44 110.523 -176.567 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 15.5 m -56.6 155.75 7.07 Favored 'General case' 0 CA--C 1.535 0.396 0 N-CA-C 113.095 0.776 . . . . 60.5 113.095 -171.537 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.424 ' HA ' ' SG ' ' A' ' 15' ' ' CYS . 4.6 p-10 -53.43 -41.28 65.91 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 115.0 -1.0 . . . . 53.42 111.605 -179.576 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 17.5 ttpp -55.24 -34.81 64.32 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.285 0.564 . . . . 75.52 110.709 177.716 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.748 ' HG2' HD13 ' A' ' 10' ' ' ILE . 17.1 tp10 -94.6 -13.91 25.49 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.685 -0.689 . . . . 65.23 110.042 -176.869 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.424 ' SG ' ' HA ' ' A' ' 12' ' ' ASP . 72.0 m -70.07 -51.43 31.95 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 116.091 -0.504 . . . . 55.21 110.402 172.362 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 15.8 m -102.89 91.73 4.27 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 116.025 -0.534 . . . . 42.34 111.177 -176.581 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.496 ' N ' HD12 ' A' ' 17' ' ' ILE . 3.4 mp -90.8 70.47 0.7 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.153 0 N-CA-C 108.952 -0.759 . . . . 74.34 108.952 178.232 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 9.7 m 40.72 24.84 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.416 0 C-N-CA 124.343 1.057 . . . . 73.51 112.904 -175.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.0 tppp? -98.15 152.45 19.34 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.669 -0.696 . . . . 61.2 110.285 -176.104 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -77.32 67.16 3.22 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-O 121.423 0.63 . . . . 65.4 111.056 179.697 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 49.0 m-85 -147.38 152.66 38.53 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 108.552 -0.907 . . . . 61.22 108.552 174.392 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 38.3 ttm180 -142.74 129.94 20.93 Favored 'General case' 0 C--O 1.238 0.454 0 CA-C-O 121.275 0.56 . . . . 74.15 111.398 -176.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -149.31 155.07 39.96 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 114.912 -1.04 . . . . 72.32 108.379 176.102 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 70.8 ttt180 -95.02 102.6 14.42 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.811 0.339 . . . . 75.22 110.334 -176.839 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.478 ' SG ' ' SG ' ' A' ' 30' ' ' CYS . 32.0 m -102.78 113.36 26.72 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.84 -0.618 . . . . 73.43 109.766 177.411 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.439 ' NH1' ' HD1' ' A' ' 29' ' ' TYR . 2.4 tmm_? -134.28 126.09 29.04 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.87 -0.418 . . . . 73.12 109.87 -177.742 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 53.3 mtpt 55.76 32.88 20.34 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 123.17 0.588 . . . . 75.12 110.91 -175.493 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 78.9 0.42 81.61 Favored Glycine 0 C--O 1.224 -0.473 0 CA-C-N 115.871 -0.604 . . . . 71.4 113.179 178.172 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.439 ' HD1' ' NH1' ' A' ' 26' ' ' ARG . 25.5 m-85 -94.68 127.95 41.02 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 108.001 -1.111 . . . . 61.31 108.001 174.865 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.478 ' SG ' ' SG ' ' A' ' 25' ' ' CYS . 83.7 m -108.67 129.48 55.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.79 0.329 . . . . 71.31 111.004 -177.381 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 16.8 m -134.76 120.53 31.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 N-CA-C 109.477 -0.564 . . . . 71.25 109.477 174.358 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.4 HH11 ' HD3' ' A' ' 32' ' ' ARG . 33.7 ttt180 -81.65 109.67 16.29 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 110.027 -0.36 . . . . 72.35 110.027 -178.856 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -119.86 89.04 3.05 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.733 -0.84 . . . . 75.21 108.733 177.467 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.457 ' H ' ' HD3' ' A' ' 34' ' ' ARG . 0.0 OUTLIER -81.51 154.76 26.13 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.015 -0.735 . . . . 63.45 109.015 177.203 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 64.0 mt -51.08 -52.75 17.09 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.266 0 O-C-N 123.435 0.459 . . . . 74.43 111.138 -175.767 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.409 HH11 ' HD3' ' A' ' 36' ' ' ARG . 11.7 ptp180 . . . . . 0 C--O 1.25 1.088 0 CA-C-O 118.911 -0.566 . . . . 74.55 109.5 178.526 . . . . . . . . 1 1 . 1 stop_ save_